USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 908 hydrogens (3 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 NoAdj-H: A 118 LYS HZ1 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD NoAdj-H: A 118 LYS HZ3 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD Set 1.1: A 115 TYR OH : rot 115:sc= 1.17 USER MOD Set 1.2: A 116 ASN : amide:sc= -7.49! C(o=-14!,f=-9.5!) USER MOD Set 1.3: A 119 HIS : no HE2:sc= -6.23! C(o=-14!,f=-9.5!) USER MOD Set 1.4: A 124 GLN : amide:sc= -1.22 K(o=-14,f=-9.5) USER MOD Set 2.1: A 73 SER OG : rot -120:sc= 0.402 USER MOD Set 2.2: A 101 THR OG1 : rot -158:sc= 0.439 USER MOD Set 3.1: A 55 GLN : amide:sc= 0.705 K(o=0.95,f=2.2) USER MOD Set 3.2: A 57 TYR OH : rot 30:sc= 0.248 USER MOD Set 4.1: A 7 ASN : amide:sc= -0.0601 K(o=-0.31,f=-3.3!) USER MOD Set 4.2: A 10 THR OG1 : rot -170:sc= -0.251 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 60:sc= -0.433! USER MOD Single : A 8 TYR OH : rot -98:sc= 0.541 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 172:sc=-0.00277 (180deg=-0.107) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 7:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 40 MET CE :methyl 164:sc= -3.23! (180deg=-4.2!) USER MOD Single : A 47 TYR OH : rot -6:sc= 1.28 USER MOD Single : A 62 SER OG : rot 59:sc= 0.143 USER MOD Single : A 70 ASN : amide:sc= -0.688 K(o=-0.69,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= -0.637 (180deg=-0.919) USER MOD Single : A 82 MET CE :methyl -149:sc= 0 (180deg=-0.941) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.89) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 84:sc= -2.33! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0308 K(o=-0.031,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.874 7.074 30.222 1.00 3.92 N ATOM 2 CA PRO A 1 2.480 6.883 29.732 1.00 3.44 C ATOM 3 C PRO A 1 1.599 8.063 30.152 1.00 3.50 C ATOM 4 O PRO A 1 0.571 7.893 30.776 1.00 4.94 O ATOM 5 CB PRO A 1 2.025 5.596 30.413 1.00 2.00 C ATOM 6 CG PRO A 1 2.870 5.495 31.639 1.00 4.99 C ATOM 7 CD PRO A 1 4.188 6.148 31.316 1.00 3.38 C ATOM 0 H2 PRO A 1 3.995 8.035 30.542 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.529 6.930 29.454 1.00 3.92 H new ATOM 0 HA PRO A 1 2.416 6.826 28.645 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.965 5.635 30.665 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.167 4.733 29.763 1.00 2.00 H new ATOM 0 HG2 PRO A 1 2.389 5.992 32.482 1.00 4.99 H new ATOM 0 HG3 PRO A 1 3.015 4.453 31.924 1.00 4.99 H new ATOM 0 HD2 PRO A 1 4.593 6.675 32.180 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.933 5.412 31.013 1.00 3.38 H new ATOM 17 N THR A 2 1.996 9.259 29.812 1.00 3.08 N ATOM 18 CA THR A 2 1.183 10.450 30.190 1.00 2.08 C ATOM 19 C THR A 2 0.852 11.281 28.947 1.00 2.52 C ATOM 20 O THR A 2 1.691 11.508 28.097 1.00 2.28 O ATOM 21 CB THR A 2 2.069 11.246 31.150 1.00 3.47 C ATOM 22 OG1 THR A 2 2.160 10.555 32.390 1.00 3.73 O ATOM 23 CG2 THR A 2 1.463 12.631 31.379 1.00 3.09 C ATOM 0 H THR A 2 2.848 9.463 29.289 1.00 3.08 H new ATOM 0 HA THR A 2 0.233 10.174 30.648 1.00 2.08 H new ATOM 0 HB THR A 2 3.064 11.356 30.720 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.729 11.062 33.006 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.096 13.196 32.063 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.394 13.160 30.428 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.467 12.526 31.809 1.00 3.09 H new ATOM 31 N VAL A 3 -0.367 11.734 28.832 1.00 10.00 N ATOM 32 CA VAL A 3 -0.757 12.546 27.643 1.00 10.00 C ATOM 33 C VAL A 3 -1.515 13.802 28.085 1.00 10.00 C ATOM 34 O VAL A 3 -1.826 13.973 29.246 1.00 10.00 O ATOM 35 CB VAL A 3 -1.666 11.626 26.825 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.236 12.390 25.629 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.857 10.428 26.324 1.00 10.00 C ATOM 0 H VAL A 3 -1.111 11.577 29.511 1.00 10.00 H new ATOM 0 HA VAL A 3 0.105 12.885 27.069 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.486 11.279 27.454 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.882 11.730 25.050 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.813 13.244 25.984 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.419 12.742 24.999 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.503 9.771 25.741 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.036 10.779 25.698 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.455 9.879 27.175 1.00 10.00 H new ATOM 47 N GLU A 4 -1.812 14.683 27.168 1.00 10.00 N ATOM 48 CA GLU A 4 -2.550 15.927 27.536 1.00 10.00 C ATOM 49 C GLU A 4 -3.558 16.282 26.439 1.00 10.00 C ATOM 50 O GLU A 4 -3.196 16.492 25.298 1.00 10.00 O ATOM 51 CB GLU A 4 -1.473 17.007 27.643 1.00 50.00 C ATOM 52 CG GLU A 4 -1.764 17.900 28.850 1.00 50.00 C ATOM 53 CD GLU A 4 -0.453 18.490 29.374 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.412 18.777 28.563 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.336 18.645 30.579 1.00 50.00 O ATOM 0 H GLU A 4 -1.576 14.596 26.180 1.00 10.00 H new ATOM 0 HA GLU A 4 -3.112 15.818 28.464 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.490 16.547 27.746 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.451 17.605 26.732 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.448 18.700 28.568 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.255 17.323 29.634 1.00 50.00 H new ATOM 62 N TYR A 5 -4.820 16.345 26.770 1.00 10.00 N ATOM 63 CA TYR A 5 -5.840 16.683 25.732 1.00 10.00 C ATOM 64 C TYR A 5 -6.115 18.188 25.709 1.00 10.00 C ATOM 65 O TYR A 5 -6.238 18.825 26.737 1.00 10.00 O ATOM 66 CB TYR A 5 -7.101 15.906 26.129 1.00 10.00 C ATOM 67 CG TYR A 5 -7.482 16.230 27.553 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.107 17.446 27.852 1.00 10.00 C ATOM 69 CD2 TYR A 5 -7.222 15.308 28.573 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.470 17.740 29.172 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.586 15.600 29.891 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.209 16.816 30.192 1.00 50.00 C ATOM 73 OH TYR A 5 -8.570 17.103 31.492 1.00 50.00 O ATOM 0 H TYR A 5 -5.188 16.179 27.707 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.500 16.416 24.732 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.921 16.161 25.458 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.926 14.835 26.026 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.309 18.157 27.065 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.740 14.370 28.342 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -8.951 18.679 29.404 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -7.386 14.887 30.677 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.538 17.246 31.539 1.00 50.00 H new ATOM 83 N LEU A 6 -6.214 18.759 24.539 1.00 10.00 N ATOM 84 CA LEU A 6 -6.485 20.222 24.432 1.00 10.00 C ATOM 85 C LEU A 6 -7.696 20.465 23.527 1.00 10.00 C ATOM 86 O LEU A 6 -7.772 19.952 22.427 1.00 10.00 O ATOM 87 CB LEU A 6 -5.221 20.815 23.810 1.00 12.50 C ATOM 88 CG LEU A 6 -4.858 22.115 24.531 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.733 22.823 23.772 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.087 23.027 24.587 1.00 50.00 C ATOM 0 H LEU A 6 -6.118 18.272 23.648 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.712 20.674 25.397 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.398 20.104 23.884 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.381 21.008 22.749 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.526 21.888 25.544 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.474 23.749 24.285 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.858 22.174 23.730 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.065 23.050 22.759 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.830 23.953 25.100 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.418 23.254 23.574 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.889 22.524 25.127 1.00 50.00 H new ATOM 102 N ASN A 7 -8.644 21.234 23.981 1.00 10.00 N ATOM 103 CA ASN A 7 -9.854 21.501 23.150 1.00 10.00 C ATOM 104 C ASN A 7 -9.482 22.272 21.881 1.00 10.00 C ATOM 105 O ASN A 7 -8.936 23.357 21.938 1.00 10.00 O ATOM 106 CB ASN A 7 -10.767 22.342 24.040 1.00 10.00 C ATOM 107 CG ASN A 7 -12.082 22.619 23.310 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.377 21.998 22.308 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.889 23.534 23.772 1.00 12.50 N ATOM 0 H ASN A 7 -8.635 21.691 24.893 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.335 20.579 22.823 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.962 21.818 24.976 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.277 23.281 24.297 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.768 23.728 23.292 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.641 24.055 24.613 1.00 12.50 H new ATOM 116 N TYR A 8 -9.785 21.724 20.736 1.00 50.00 N ATOM 117 CA TYR A 8 -9.462 22.427 19.462 1.00 50.00 C ATOM 118 C TYR A 8 -10.264 23.727 19.372 1.00 50.00 C ATOM 119 O TYR A 8 -9.788 24.730 18.877 1.00 50.00 O ATOM 120 CB TYR A 8 -9.879 21.456 18.357 1.00 50.00 C ATOM 121 CG TYR A 8 -9.802 22.149 17.017 1.00 50.00 C ATOM 122 CD1 TYR A 8 -8.566 22.292 16.373 1.00 50.00 C ATOM 123 CD2 TYR A 8 -10.965 22.649 16.419 1.00 50.00 C ATOM 124 CE1 TYR A 8 -8.495 22.934 15.130 1.00 50.00 C ATOM 125 CE2 TYR A 8 -10.893 23.291 15.177 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.658 23.433 14.532 1.00 50.00 C ATOM 127 OH TYR A 8 -9.588 24.066 13.308 1.00 50.00 O ATOM 0 H TYR A 8 -10.243 20.819 20.628 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.408 22.694 19.386 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.229 20.581 18.363 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.894 21.100 18.536 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -7.669 21.908 16.835 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -11.918 22.539 16.916 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -7.543 23.044 14.633 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -11.790 23.677 14.716 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.576 25.037 13.442 1.00 50.00 H new ATOM 137 N GLU A 9 -11.477 23.719 19.854 1.00 25.00 N ATOM 138 CA GLU A 9 -12.307 24.957 19.803 1.00 25.00 C ATOM 139 C GLU A 9 -11.646 26.059 20.634 1.00 25.00 C ATOM 140 O GLU A 9 -11.802 27.232 20.363 1.00 25.00 O ATOM 141 CB GLU A 9 -13.654 24.559 20.410 1.00 50.00 C ATOM 142 CG GLU A 9 -14.787 25.174 19.586 1.00 50.00 C ATOM 143 CD GLU A 9 -15.902 25.643 20.521 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.608 26.410 21.424 1.00 50.00 O ATOM 145 OE2 GLU A 9 -17.032 25.229 20.320 1.00 50.00 O ATOM 0 H GLU A 9 -11.929 22.910 20.280 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.420 25.342 18.790 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.751 23.473 20.427 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.715 24.901 21.443 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.411 26.014 19.001 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.175 24.441 18.879 1.00 50.00 H new ATOM 152 N THR A 10 -10.901 25.687 21.640 1.00 50.00 N ATOM 153 CA THR A 10 -10.223 26.712 22.483 1.00 50.00 C ATOM 154 C THR A 10 -9.083 27.358 21.693 1.00 50.00 C ATOM 155 O THR A 10 -8.849 28.547 21.778 1.00 50.00 O ATOM 156 CB THR A 10 -9.675 25.940 23.685 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.743 25.622 24.567 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.644 26.798 24.418 1.00 50.00 C ATOM 0 H THR A 10 -10.733 24.719 21.914 1.00 50.00 H new ATOM 0 HA THR A 10 -10.896 27.512 22.791 1.00 50.00 H new ATOM 0 HB THR A 10 -9.200 25.021 23.342 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.380 25.270 25.407 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.255 26.247 25.274 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.826 27.042 23.740 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.116 27.718 24.763 1.00 50.00 H new ATOM 166 N LEU A 11 -8.378 26.581 20.916 1.00 50.00 N ATOM 167 CA LEU A 11 -7.259 27.149 20.113 1.00 50.00 C ATOM 168 C LEU A 11 -7.815 28.116 19.066 1.00 50.00 C ATOM 169 O LEU A 11 -7.260 29.167 18.818 1.00 50.00 O ATOM 170 CB LEU A 11 -6.603 25.941 19.440 1.00 50.00 C ATOM 171 CG LEU A 11 -5.738 26.412 18.268 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.651 27.356 18.784 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.087 25.202 17.595 1.00 50.00 C ATOM 0 H LEU A 11 -8.529 25.579 20.803 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.547 27.708 20.720 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -5.992 25.398 20.161 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.368 25.250 19.086 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.361 26.937 17.544 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.035 27.692 17.950 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.115 28.218 19.262 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.027 26.832 19.508 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.471 25.537 16.761 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.463 24.676 18.318 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.862 24.530 17.227 1.00 50.00 H new ATOM 185 N ASP A 12 -8.915 27.769 18.455 1.00 50.00 N ATOM 186 CA ASP A 12 -9.515 28.667 17.429 1.00 50.00 C ATOM 187 C ASP A 12 -10.299 29.789 18.117 1.00 50.00 C ATOM 188 O ASP A 12 -10.117 30.955 17.826 1.00 50.00 O ATOM 189 CB ASP A 12 -10.454 27.773 16.620 1.00 50.00 C ATOM 190 CG ASP A 12 -9.670 26.580 16.070 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.139 25.826 16.869 1.00 50.00 O ATOM 192 OD2 ASP A 12 -9.616 26.439 14.859 1.00 50.00 O ATOM 0 H ASP A 12 -9.424 26.901 18.623 1.00 50.00 H new ATOM 0 HA ASP A 12 -8.763 29.140 16.797 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.274 27.425 17.248 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -10.898 28.339 15.801 1.00 50.00 H new ATOM 197 N ASP A 13 -11.164 29.444 19.031 1.00 50.00 N ATOM 198 CA ASP A 13 -11.954 30.489 19.741 1.00 50.00 C ATOM 199 C ASP A 13 -11.025 31.604 20.228 1.00 50.00 C ATOM 200 O ASP A 13 -11.252 32.770 19.977 1.00 50.00 O ATOM 201 CB ASP A 13 -12.590 29.766 20.929 1.00 50.00 C ATOM 202 CG ASP A 13 -13.514 30.729 21.677 1.00 50.00 C ATOM 203 OD1 ASP A 13 -13.026 31.747 22.140 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.693 30.432 21.775 1.00 50.00 O ATOM 0 H ASP A 13 -11.358 28.484 19.317 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.703 30.952 19.099 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.154 28.900 20.582 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.815 29.394 21.599 1.00 50.00 H new ATOM 209 N GLN A 14 -9.977 31.250 20.919 1.00 50.00 N ATOM 210 CA GLN A 14 -9.029 32.285 21.420 1.00 50.00 C ATOM 211 C GLN A 14 -8.191 32.832 20.262 1.00 50.00 C ATOM 212 O GLN A 14 -7.588 33.881 20.359 1.00 50.00 O ATOM 213 CB GLN A 14 -8.141 31.553 22.426 1.00 50.00 C ATOM 214 CG GLN A 14 -7.529 32.563 23.398 1.00 50.00 C ATOM 215 CD GLN A 14 -7.939 32.205 24.828 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.912 32.721 25.341 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.232 31.336 25.498 1.00 50.00 N ATOM 0 H GLN A 14 -9.736 30.288 21.159 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.541 33.134 21.872 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.726 30.814 22.974 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.352 31.011 21.904 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.443 32.559 23.308 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.866 33.570 23.153 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -6.415 30.903 25.068 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.496 31.090 26.452 1.00 50.00 H new ATOM 226 N GLY A 15 -8.151 32.126 19.165 1.00 50.00 N ATOM 227 CA GLY A 15 -7.355 32.603 17.999 1.00 50.00 C ATOM 228 C GLY A 15 -5.865 32.531 18.338 1.00 50.00 C ATOM 229 O GLY A 15 -5.094 33.400 17.979 1.00 50.00 O ATOM 0 H GLY A 15 -8.635 31.239 19.026 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.570 31.991 17.123 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.633 33.627 17.749 1.00 50.00 H new ATOM 233 N TRP A 16 -5.452 31.501 19.025 1.00 50.00 N ATOM 234 CA TRP A 16 -4.011 31.375 19.384 1.00 50.00 C ATOM 235 C TRP A 16 -3.249 30.663 18.264 1.00 50.00 C ATOM 236 O TRP A 16 -3.778 30.420 17.197 1.00 50.00 O ATOM 237 CB TRP A 16 -3.993 30.537 20.664 1.00 50.00 C ATOM 238 CG TRP A 16 -3.649 31.411 21.828 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.878 31.041 22.877 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.049 32.789 22.080 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.778 32.105 23.756 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.484 33.205 23.309 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.838 33.710 21.369 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.695 34.488 23.815 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.053 35.003 21.875 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.483 35.391 23.095 1.00 50.00 C ATOM 0 H TRP A 16 -6.049 30.742 19.353 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.534 32.345 19.526 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.966 30.072 20.820 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.265 29.731 20.573 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.416 30.073 23.007 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.248 32.080 24.627 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.282 33.422 20.428 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.253 34.781 24.756 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.661 35.702 21.320 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.652 36.386 23.479 1.00 50.00 H new ATOM 257 N ASP A 17 -2.010 30.326 18.498 1.00 50.00 N ATOM 258 CA ASP A 17 -1.215 29.630 17.445 1.00 50.00 C ATOM 259 C ASP A 17 -1.185 28.123 17.714 1.00 50.00 C ATOM 260 O ASP A 17 -1.853 27.627 18.599 1.00 50.00 O ATOM 261 CB ASP A 17 0.190 30.222 17.557 1.00 50.00 C ATOM 262 CG ASP A 17 0.923 30.050 16.226 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.640 29.086 15.535 1.00 50.00 O ATOM 264 OD2 ASP A 17 1.757 30.888 15.919 1.00 50.00 O ATOM 0 H ASP A 17 -1.514 30.502 19.372 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.638 29.766 16.450 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.131 31.279 17.818 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.742 29.727 18.355 1.00 50.00 H new ATOM 269 N MET A 18 -0.413 27.391 16.957 1.00 50.00 N ATOM 270 CA MET A 18 -0.341 25.917 17.171 1.00 50.00 C ATOM 271 C MET A 18 0.396 25.609 18.478 1.00 50.00 C ATOM 272 O MET A 18 -0.076 24.854 19.304 1.00 50.00 O ATOM 273 CB MET A 18 0.442 25.379 15.972 1.00 50.00 C ATOM 274 CG MET A 18 -0.337 24.232 15.326 1.00 50.00 C ATOM 275 SD MET A 18 -1.408 24.890 14.023 1.00 50.00 S ATOM 276 CE MET A 18 -2.903 23.972 14.469 1.00 50.00 C ATOM 0 H MET A 18 0.170 27.749 16.201 1.00 50.00 H new ATOM 0 HA MET A 18 -1.328 25.462 17.248 1.00 50.00 H new ATOM 0 HB2 MET A 18 0.607 26.175 15.246 1.00 50.00 H new ATOM 0 HB3 MET A 18 1.424 25.031 16.292 1.00 50.00 H new ATOM 0 HG2 MET A 18 0.353 23.499 14.909 1.00 50.00 H new ATOM 0 HG3 MET A 18 -0.935 23.716 16.077 1.00 50.00 H new ATOM 0 HE1 MET A 18 -3.742 24.333 13.875 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.750 22.911 14.274 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.118 24.119 15.527 1.00 50.00 H new ATOM 286 N ASP A 19 1.550 26.187 18.671 1.00 50.00 N ATOM 287 CA ASP A 19 2.315 25.925 19.924 1.00 50.00 C ATOM 288 C ASP A 19 3.164 27.144 20.297 1.00 50.00 C ATOM 289 O ASP A 19 4.053 27.063 21.123 1.00 50.00 O ATOM 290 CB ASP A 19 3.212 24.730 19.599 1.00 50.00 C ATOM 291 CG ASP A 19 2.368 23.454 19.562 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.152 22.880 20.615 1.00 50.00 O ATOM 293 OD2 ASP A 19 1.954 23.073 18.479 1.00 50.00 O ATOM 0 H ASP A 19 1.996 26.829 18.016 1.00 50.00 H new ATOM 0 HA ASP A 19 1.658 25.726 20.771 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.704 24.881 18.638 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.998 24.637 20.348 1.00 50.00 H new ATOM 298 N ASP A 20 2.897 28.274 19.700 1.00 50.00 N ATOM 299 CA ASP A 20 3.690 29.493 20.028 1.00 50.00 C ATOM 300 C ASP A 20 3.227 30.073 21.366 1.00 50.00 C ATOM 301 O ASP A 20 4.025 30.430 22.210 1.00 50.00 O ATOM 302 CB ASP A 20 3.405 30.472 18.889 1.00 50.00 C ATOM 303 CG ASP A 20 4.620 30.547 17.964 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.477 29.686 18.073 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.674 31.465 17.162 1.00 50.00 O ATOM 0 H ASP A 20 2.166 28.406 19.001 1.00 50.00 H new ATOM 0 HA ASP A 20 4.755 29.282 20.123 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.528 30.149 18.329 1.00 50.00 H new ATOM 0 HB3 ASP A 20 3.180 31.459 19.292 1.00 50.00 H new ATOM 310 N ASP A 21 1.941 30.164 21.568 1.00 50.00 N ATOM 311 CA ASP A 21 1.422 30.715 22.853 1.00 50.00 C ATOM 312 C ASP A 21 1.546 29.666 23.962 1.00 50.00 C ATOM 313 O ASP A 21 1.147 29.890 25.088 1.00 50.00 O ATOM 314 CB ASP A 21 -0.045 31.041 22.582 1.00 50.00 C ATOM 315 CG ASP A 21 -0.134 32.274 21.678 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.901 32.718 21.212 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.238 32.752 21.470 1.00 50.00 O ATOM 0 H ASP A 21 1.226 29.880 20.898 1.00 50.00 H new ATOM 0 HA ASP A 21 1.977 31.593 23.182 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.536 30.192 22.107 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.567 31.226 23.521 1.00 50.00 H new ATOM 322 N ASP A 22 2.094 28.523 23.652 1.00 50.00 N ATOM 323 CA ASP A 22 2.242 27.461 24.686 1.00 50.00 C ATOM 324 C ASP A 22 0.880 27.119 25.288 1.00 50.00 C ATOM 325 O ASP A 22 0.716 27.054 26.490 1.00 50.00 O ATOM 326 CB ASP A 22 3.171 28.061 25.742 1.00 50.00 C ATOM 327 CG ASP A 22 4.482 27.273 25.775 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.967 26.923 24.710 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.979 27.033 26.862 1.00 50.00 O ATOM 0 H ASP A 22 2.446 28.279 22.726 1.00 50.00 H new ATOM 0 HA ASP A 22 2.645 26.535 24.276 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.369 29.108 25.514 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.693 28.033 26.721 1.00 50.00 H new ATOM 334 N LEU A 23 -0.097 26.898 24.455 1.00 50.00 N ATOM 335 CA LEU A 23 -1.456 26.557 24.964 1.00 50.00 C ATOM 336 C LEU A 23 -1.369 25.428 25.994 1.00 50.00 C ATOM 337 O LEU A 23 -1.819 25.560 27.116 1.00 50.00 O ATOM 338 CB LEU A 23 -2.237 26.096 23.733 1.00 50.00 C ATOM 339 CG LEU A 23 -2.482 27.289 22.806 1.00 50.00 C ATOM 340 CD1 LEU A 23 -1.515 27.221 21.622 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.921 27.248 22.290 1.00 50.00 C ATOM 0 H LEU A 23 -0.014 26.939 23.439 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.934 27.403 25.458 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -1.681 25.321 23.206 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.187 25.656 24.036 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.320 28.216 23.357 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -1.689 28.070 20.961 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -0.489 27.250 21.988 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -1.678 26.294 21.072 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.095 28.098 21.630 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.084 26.321 21.739 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.611 27.296 23.132 1.00 50.00 H new ATOM 353 N PHE A 24 -0.790 24.316 25.625 1.00 50.00 N ATOM 354 CA PHE A 24 -0.672 23.182 26.587 1.00 50.00 C ATOM 355 C PHE A 24 -0.001 23.664 27.874 1.00 50.00 C ATOM 356 O PHE A 24 -0.118 23.051 28.916 1.00 50.00 O ATOM 357 CB PHE A 24 0.207 22.150 25.881 1.00 50.00 C ATOM 358 CG PHE A 24 -0.640 21.290 24.972 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.478 20.308 25.514 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.583 21.474 23.584 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.261 19.510 24.669 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.364 20.675 22.741 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.202 19.694 23.282 1.00 50.00 C ATOM 0 H PHE A 24 -0.394 24.144 24.701 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.642 22.767 26.862 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.981 22.654 25.302 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.714 21.527 26.617 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.521 20.165 26.584 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.063 22.232 23.165 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.909 18.754 25.087 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.320 20.816 21.671 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.804 19.078 22.630 1.00 50.00 H new ATOM 373 N GLU A 25 0.704 24.759 27.804 1.00 50.00 N ATOM 374 CA GLU A 25 1.390 25.287 29.019 1.00 50.00 C ATOM 375 C GLU A 25 0.583 26.440 29.626 1.00 50.00 C ATOM 376 O GLU A 25 0.204 26.403 30.780 1.00 50.00 O ATOM 377 CB GLU A 25 2.747 25.786 28.520 1.00 50.00 C ATOM 378 CG GLU A 25 3.845 25.321 29.477 1.00 50.00 C ATOM 379 CD GLU A 25 4.866 24.477 28.712 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.609 23.299 28.523 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.888 25.022 28.329 1.00 50.00 O ATOM 0 H GLU A 25 0.835 25.312 26.957 1.00 50.00 H new ATOM 0 HA GLU A 25 1.494 24.530 29.797 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.940 25.406 27.517 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.744 26.874 28.454 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.336 26.182 29.930 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.411 24.738 30.289 1.00 50.00 H new ATOM 388 N LYS A 26 0.320 27.463 28.859 1.00 50.00 N ATOM 389 CA LYS A 26 -0.459 28.616 29.395 1.00 50.00 C ATOM 390 C LYS A 26 -1.873 28.169 29.774 1.00 50.00 C ATOM 391 O LYS A 26 -2.522 28.768 30.609 1.00 50.00 O ATOM 392 CB LYS A 26 -0.506 29.630 28.252 1.00 50.00 C ATOM 393 CG LYS A 26 0.314 30.865 28.633 1.00 50.00 C ATOM 394 CD LYS A 26 -0.185 32.074 27.839 1.00 50.00 C ATOM 395 CE LYS A 26 -0.152 33.318 28.730 1.00 50.00 C ATOM 396 NZ LYS A 26 1.237 33.841 28.607 1.00 50.00 N ATOM 0 H LYS A 26 0.611 27.550 27.885 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.007 29.036 30.294 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.110 29.184 27.340 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.538 29.915 28.046 1.00 50.00 H new ATOM 0 HG2 LYS A 26 0.226 31.057 29.702 1.00 50.00 H new ATOM 0 HG3 LYS A 26 1.370 30.691 28.426 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.439 32.227 26.959 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -1.200 31.895 27.483 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.883 34.058 28.403 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -0.390 33.070 29.764 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 1.339 34.696 29.191 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 1.910 33.118 28.932 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 1.433 34.075 27.613 1.00 50.00 H new ATOM 410 N ALA A 27 -2.356 27.120 29.167 1.00 50.00 N ATOM 411 CA ALA A 27 -3.729 26.636 29.493 1.00 50.00 C ATOM 412 C ALA A 27 -3.826 26.285 30.981 1.00 50.00 C ATOM 413 O ALA A 27 -4.902 26.199 31.538 1.00 50.00 O ATOM 414 CB ALA A 27 -3.924 25.388 28.634 1.00 50.00 C ATOM 0 H ALA A 27 -1.861 26.577 28.460 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.491 27.390 29.294 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.914 24.971 28.817 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -3.831 25.653 27.581 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.166 24.648 28.890 1.00 50.00 H new ATOM 420 N ALA A 28 -2.710 26.082 31.626 1.00 50.00 N ATOM 421 CA ALA A 28 -2.741 25.739 33.076 1.00 50.00 C ATOM 422 C ALA A 28 -2.980 26.999 33.912 1.00 50.00 C ATOM 423 O ALA A 28 -3.475 26.935 35.020 1.00 50.00 O ATOM 424 CB ALA A 28 -1.363 25.149 33.375 1.00 50.00 C ATOM 0 H ALA A 28 -1.779 26.139 31.212 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.543 25.041 33.318 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.307 24.871 34.427 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.204 24.265 32.757 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.594 25.890 33.154 1.00 50.00 H new ATOM 430 N ASP A 29 -2.634 28.143 33.390 1.00 50.00 N ATOM 431 CA ASP A 29 -2.844 29.405 34.155 1.00 50.00 C ATOM 432 C ASP A 29 -4.192 30.030 33.782 1.00 50.00 C ATOM 433 O ASP A 29 -4.611 31.015 34.357 1.00 50.00 O ATOM 434 CB ASP A 29 -1.695 30.322 33.734 1.00 50.00 C ATOM 435 CG ASP A 29 -1.746 31.611 34.558 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.833 31.512 35.771 1.00 50.00 O ATOM 437 OD2 ASP A 29 -1.698 32.674 33.961 1.00 50.00 O ATOM 0 H ASP A 29 -2.215 28.259 32.467 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.857 29.237 35.232 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.740 29.819 33.884 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.770 30.553 32.671 1.00 50.00 H new ATOM 442 N ALA A 30 -4.872 29.465 32.823 1.00 50.00 N ATOM 443 CA ALA A 30 -6.191 30.029 32.414 1.00 50.00 C ATOM 444 C ALA A 30 -7.321 29.346 33.189 1.00 50.00 C ATOM 445 O ALA A 30 -8.445 29.809 33.202 1.00 50.00 O ATOM 446 CB ALA A 30 -6.306 29.725 30.919 1.00 50.00 C ATOM 0 H ALA A 30 -4.573 28.639 32.305 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.265 31.097 32.619 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.253 30.110 30.541 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.483 30.201 30.386 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.264 28.647 30.763 1.00 50.00 H new ATOM 452 N GLY A 31 -7.034 28.249 33.834 1.00 50.00 N ATOM 453 CA GLY A 31 -8.093 27.540 34.606 1.00 50.00 C ATOM 454 C GLY A 31 -9.223 27.133 33.659 1.00 50.00 C ATOM 455 O GLY A 31 -10.385 27.162 34.014 1.00 50.00 O ATOM 0 H GLY A 31 -6.112 27.813 33.860 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.676 26.658 35.093 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.479 28.186 35.394 1.00 50.00 H new ATOM 459 N LEU A 32 -8.891 26.756 32.454 1.00 50.00 N ATOM 460 CA LEU A 32 -9.946 26.348 31.482 1.00 50.00 C ATOM 461 C LEU A 32 -10.656 25.082 31.970 1.00 50.00 C ATOM 462 O LEU A 32 -10.225 24.438 32.905 1.00 50.00 O ATOM 463 CB LEU A 32 -9.196 26.072 30.179 1.00 50.00 C ATOM 464 CG LEU A 32 -8.879 27.399 29.486 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.897 27.152 28.339 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.169 28.005 28.934 1.00 50.00 C ATOM 0 H LEU A 32 -7.935 26.713 32.100 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.712 27.113 31.359 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.275 25.527 30.385 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.799 25.442 29.525 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.433 28.088 30.203 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.670 28.096 27.844 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -6.978 26.719 28.734 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.342 26.464 27.620 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.945 28.950 28.440 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.616 27.317 28.216 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.868 28.180 29.752 1.00 50.00 H new ATOM 478 N ASP A 33 -11.742 24.720 31.342 1.00 50.00 N ATOM 479 CA ASP A 33 -12.475 23.495 31.771 1.00 50.00 C ATOM 480 C ASP A 33 -11.537 22.286 31.753 1.00 50.00 C ATOM 481 O ASP A 33 -10.557 22.260 31.036 1.00 50.00 O ATOM 482 CB ASP A 33 -13.595 23.324 30.745 1.00 50.00 C ATOM 483 CG ASP A 33 -14.908 23.843 31.334 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.881 24.891 31.959 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.917 23.182 31.154 1.00 50.00 O ATOM 0 H ASP A 33 -12.152 25.218 30.552 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.864 23.579 32.786 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.353 23.868 29.832 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.696 22.273 30.472 1.00 50.00 H new ATOM 490 N GLY A 34 -11.827 21.285 32.539 1.00 50.00 N ATOM 491 CA GLY A 34 -10.950 20.083 32.568 1.00 50.00 C ATOM 492 C GLY A 34 -11.228 19.212 31.341 1.00 50.00 C ATOM 493 O GLY A 34 -10.393 18.440 30.915 1.00 50.00 O ATOM 0 H GLY A 34 -12.634 21.249 33.162 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.903 20.385 32.582 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.129 19.512 33.479 1.00 50.00 H new ATOM 497 N GLU A 35 -12.393 19.328 30.768 1.00 50.00 N ATOM 498 CA GLU A 35 -12.716 18.504 29.567 1.00 50.00 C ATOM 499 C GLU A 35 -12.064 19.109 28.320 1.00 50.00 C ATOM 500 O GLU A 35 -11.985 18.482 27.283 1.00 50.00 O ATOM 501 CB GLU A 35 -14.240 18.548 29.453 1.00 50.00 C ATOM 502 CG GLU A 35 -14.719 17.427 28.529 1.00 50.00 C ATOM 503 CD GLU A 35 -16.034 17.839 27.867 1.00 50.00 C ATOM 504 OE1 GLU A 35 -15.981 18.592 26.907 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.072 17.396 28.330 1.00 50.00 O ATOM 0 H GLU A 35 -13.135 19.956 31.077 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.345 17.483 29.655 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.692 18.438 30.439 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.558 19.515 29.063 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -13.966 17.221 27.769 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.858 16.507 29.097 1.00 50.00 H new ATOM 512 N ASP A 36 -11.593 20.322 28.415 1.00 50.00 N ATOM 513 CA ASP A 36 -10.943 20.965 27.235 1.00 50.00 C ATOM 514 C ASP A 36 -9.422 20.832 27.335 1.00 50.00 C ATOM 515 O ASP A 36 -8.757 20.473 26.384 1.00 50.00 O ATOM 516 CB ASP A 36 -11.359 22.435 27.308 1.00 50.00 C ATOM 517 CG ASP A 36 -12.843 22.563 26.957 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.311 21.774 26.153 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.485 23.448 27.499 1.00 50.00 O ATOM 0 H ASP A 36 -11.629 20.896 29.257 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.242 20.503 26.294 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.176 22.827 28.309 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.759 23.029 26.619 1.00 50.00 H new ATOM 524 N TYR A 37 -8.865 21.117 28.480 1.00 12.50 N ATOM 525 CA TYR A 37 -7.387 21.004 28.638 1.00 12.50 C ATOM 526 C TYR A 37 -7.052 20.260 29.934 1.00 12.50 C ATOM 527 O TYR A 37 -7.559 20.574 30.991 1.00 12.50 O ATOM 528 CB TYR A 37 -6.879 22.447 28.693 1.00 12.50 C ATOM 529 CG TYR A 37 -5.487 22.472 29.283 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.378 22.194 28.476 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.309 22.770 30.639 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.090 22.214 29.025 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.021 22.790 31.189 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.912 22.512 30.381 1.00 12.50 C ATOM 535 OH TYR A 37 -1.642 22.532 30.923 1.00 50.00 O ATOM 0 H TYR A 37 -9.369 21.423 29.312 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.925 20.445 27.824 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.868 22.878 27.692 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.552 23.057 29.296 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.516 21.964 27.430 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.165 22.985 31.261 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.234 22.000 28.402 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.884 23.020 32.235 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.980 22.427 30.208 1.00 50.00 H new ATOM 545 N GLY A 38 -6.199 19.277 29.856 1.00 10.00 N ATOM 546 CA GLY A 38 -5.828 18.514 31.080 1.00 10.00 C ATOM 547 C GLY A 38 -4.823 17.421 30.710 1.00 10.00 C ATOM 548 O GLY A 38 -4.415 17.301 29.572 1.00 10.00 O ATOM 0 H GLY A 38 -5.743 18.969 28.997 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.396 19.184 31.823 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.717 18.070 31.529 1.00 10.00 H new ATOM 552 N THR A 39 -4.420 16.625 31.661 1.00 10.00 N ATOM 553 CA THR A 39 -3.440 15.543 31.359 1.00 10.00 C ATOM 554 C THR A 39 -4.155 14.193 31.265 1.00 10.00 C ATOM 555 O THR A 39 -4.815 13.763 32.190 1.00 10.00 O ATOM 556 CB THR A 39 -2.459 15.551 32.535 1.00 50.00 C ATOM 557 OG1 THR A 39 -2.645 16.733 33.301 1.00 50.00 O ATOM 558 CG2 THR A 39 -1.023 15.505 32.008 1.00 50.00 C ATOM 0 H THR A 39 -4.726 16.676 32.633 1.00 10.00 H new ATOM 0 HA THR A 39 -2.933 15.701 30.407 1.00 10.00 H new ATOM 0 HB THR A 39 -2.642 14.679 33.163 1.00 50.00 H new ATOM 0 HG1 THR A 39 -2.018 16.737 34.054 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.327 15.511 32.847 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.879 14.596 31.423 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.839 16.375 31.378 1.00 50.00 H new ATOM 566 N MET A 40 -4.026 13.522 30.155 1.00 10.00 N ATOM 567 CA MET A 40 -4.696 12.200 30.000 1.00 10.00 C ATOM 568 C MET A 40 -3.712 11.069 30.311 1.00 10.00 C ATOM 569 O MET A 40 -2.762 10.844 29.588 1.00 10.00 O ATOM 570 CB MET A 40 -5.127 12.141 28.535 1.00 10.00 C ATOM 571 CG MET A 40 -6.355 11.238 28.403 1.00 10.00 C ATOM 572 SD MET A 40 -7.703 12.162 27.626 1.00 12.50 S ATOM 573 CE MET A 40 -7.763 11.217 26.083 1.00 50.00 C ATOM 0 H MET A 40 -3.485 13.832 29.347 1.00 10.00 H new ATOM 0 HA MET A 40 -5.541 12.085 30.679 1.00 10.00 H new ATOM 0 HB2 MET A 40 -5.357 13.142 28.172 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.313 11.758 27.920 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.111 10.359 27.806 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.664 10.880 29.385 1.00 10.00 H new ATOM 0 HE1 MET A 40 -8.701 11.423 25.567 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.927 11.506 25.446 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.698 10.152 26.306 1.00 50.00 H new ATOM 583 N GLU A 41 -3.934 10.352 31.378 1.00 10.00 N ATOM 584 CA GLU A 41 -3.012 9.235 31.726 1.00 10.00 C ATOM 585 C GLU A 41 -3.327 8.011 30.862 1.00 10.00 C ATOM 586 O GLU A 41 -4.387 7.425 30.962 1.00 10.00 O ATOM 587 CB GLU A 41 -3.283 8.939 33.201 1.00 10.00 C ATOM 588 CG GLU A 41 -2.255 9.673 34.063 1.00 10.00 C ATOM 589 CD GLU A 41 -1.543 8.671 34.975 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.439 7.519 34.588 1.00 12.50 O ATOM 591 OE2 GLU A 41 -1.117 9.074 36.044 1.00 12.50 O ATOM 0 H GLU A 41 -4.712 10.491 32.023 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.966 9.489 31.552 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -4.291 9.257 33.468 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.228 7.866 33.384 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.530 10.182 33.428 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.748 10.439 34.662 1.00 10.00 H new ATOM 598 N VAL A 42 -2.420 7.627 30.008 1.00 10.00 N ATOM 599 CA VAL A 42 -2.673 6.447 29.132 1.00 10.00 C ATOM 600 C VAL A 42 -1.554 5.415 29.290 1.00 10.00 C ATOM 601 O VAL A 42 -0.424 5.647 28.906 1.00 10.00 O ATOM 602 CB VAL A 42 -2.691 7.010 27.711 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.957 5.878 26.717 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.797 8.061 27.593 1.00 10.00 C ATOM 0 H VAL A 42 -1.515 8.078 29.878 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.604 5.939 29.382 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.727 7.469 27.490 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.970 6.279 25.704 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.170 5.128 26.800 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.921 5.419 26.938 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.810 8.463 26.580 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.760 7.602 27.814 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.609 8.868 28.301 1.00 10.00 H new ATOM 614 N ALA A 43 -1.859 4.276 29.849 1.00 10.00 N ATOM 615 CA ALA A 43 -0.812 3.229 30.027 1.00 10.00 C ATOM 616 C ALA A 43 -0.403 2.656 28.667 1.00 10.00 C ATOM 617 O ALA A 43 -1.200 2.573 27.755 1.00 10.00 O ATOM 618 CB ALA A 43 -1.472 2.150 30.886 1.00 50.00 C ATOM 0 H ALA A 43 -2.787 4.025 30.190 1.00 10.00 H new ATOM 0 HA ALA A 43 0.092 3.623 30.492 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.763 1.341 31.062 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -1.776 2.580 31.840 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.348 1.758 30.369 1.00 50.00 H new ATOM 624 N GLU A 44 0.832 2.259 28.525 1.00 10.00 N ATOM 625 CA GLU A 44 1.285 1.692 27.223 1.00 10.00 C ATOM 626 C GLU A 44 0.470 0.440 26.884 1.00 10.00 C ATOM 627 O GLU A 44 0.499 -0.544 27.596 1.00 10.00 O ATOM 628 CB GLU A 44 2.757 1.337 27.431 1.00 10.00 C ATOM 629 CG GLU A 44 3.611 2.085 26.405 1.00 10.00 C ATOM 630 CD GLU A 44 3.505 1.386 25.048 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.219 0.200 25.035 1.00 25.00 O ATOM 632 OE2 GLU A 44 3.713 2.049 24.045 1.00 25.00 O ATOM 0 H GLU A 44 1.546 2.303 29.252 1.00 10.00 H new ATOM 0 HA GLU A 44 1.152 2.392 26.398 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.067 1.603 28.442 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.901 0.262 27.326 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.276 3.119 26.321 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.650 2.113 26.732 1.00 10.00 H new ATOM 639 N GLY A 45 -0.260 0.473 25.803 1.00 10.00 N ATOM 640 CA GLY A 45 -1.079 -0.710 25.421 1.00 10.00 C ATOM 641 C GLY A 45 -2.555 -0.422 25.707 1.00 10.00 C ATOM 642 O GLY A 45 -3.405 -1.278 25.565 1.00 10.00 O ATOM 0 H GLY A 45 -0.324 1.269 25.168 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.940 -0.936 24.364 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.753 -1.587 25.980 1.00 10.00 H new ATOM 646 N GLU A 46 -2.868 0.782 26.109 1.00 10.00 N ATOM 647 CA GLU A 46 -4.288 1.127 26.402 1.00 10.00 C ATOM 648 C GLU A 46 -4.776 2.209 25.434 1.00 10.00 C ATOM 649 O GLU A 46 -4.401 3.361 25.538 1.00 10.00 O ATOM 650 CB GLU A 46 -4.277 1.654 27.838 1.00 10.00 C ATOM 651 CG GLU A 46 -5.266 0.853 28.685 1.00 10.00 C ATOM 652 CD GLU A 46 -4.825 -0.611 28.735 1.00 10.00 C ATOM 653 OE1 GLU A 46 -3.664 -0.869 28.464 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.656 -1.449 29.045 1.00 10.00 O ATOM 0 H GLU A 46 -2.200 1.541 26.247 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.956 0.273 26.287 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.274 1.574 28.258 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.544 2.711 27.851 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -5.314 1.264 29.693 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.268 0.928 28.262 1.00 10.00 H new ATOM 661 N TYR A 47 -5.607 1.848 24.494 1.00 10.00 N ATOM 662 CA TYR A 47 -6.118 2.855 23.517 1.00 10.00 C ATOM 663 C TYR A 47 -6.457 4.166 24.235 1.00 10.00 C ATOM 664 O TYR A 47 -7.200 4.187 25.195 1.00 10.00 O ATOM 665 CB TYR A 47 -7.379 2.224 22.920 1.00 10.00 C ATOM 666 CG TYR A 47 -7.027 0.940 22.195 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.688 0.554 22.038 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.050 0.133 21.678 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.374 -0.633 21.367 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.734 -1.055 21.008 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.396 -1.438 20.852 1.00 10.00 C ATOM 672 OH TYR A 47 -6.087 -2.608 20.190 1.00 10.00 O ATOM 0 H TYR A 47 -5.955 0.899 24.359 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.383 3.097 22.750 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.101 2.018 23.710 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.852 2.922 22.230 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -4.898 1.174 22.436 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.082 0.428 21.797 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.342 -0.928 21.247 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.523 -1.677 20.611 1.00 10.00 H new ATOM 0 HH TYR A 47 -5.115 -2.676 20.082 1.00 10.00 H new ATOM 682 N ILE A 48 -5.912 5.260 23.774 1.00 10.00 N ATOM 683 CA ILE A 48 -6.198 6.570 24.432 1.00 10.00 C ATOM 684 C ILE A 48 -7.696 6.715 24.715 1.00 10.00 C ATOM 685 O ILE A 48 -8.113 6.827 25.851 1.00 10.00 O ATOM 686 CB ILE A 48 -5.737 7.628 23.427 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.207 7.644 23.365 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.241 9.004 23.869 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.757 8.122 21.983 1.00 10.00 C ATOM 0 H ILE A 48 -5.283 5.304 22.973 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.688 6.666 25.391 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.138 7.391 22.442 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.808 8.302 24.137 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.814 6.647 23.562 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.913 9.758 23.154 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.330 8.995 23.914 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.839 9.239 24.855 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.668 8.133 21.939 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.144 7.446 21.220 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.138 9.127 21.804 1.00 10.00 H new ATOM 701 N LEU A 49 -8.509 6.714 23.694 1.00 10.00 N ATOM 702 CA LEU A 49 -9.979 6.853 23.907 1.00 10.00 C ATOM 703 C LEU A 49 -10.427 6.008 25.102 1.00 10.00 C ATOM 704 O LEU A 49 -11.342 6.362 25.818 1.00 10.00 O ATOM 705 CB LEU A 49 -10.616 6.331 22.619 1.00 10.00 C ATOM 706 CG LEU A 49 -12.140 6.436 22.721 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.746 6.436 21.316 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.682 5.241 23.508 1.00 10.00 C ATOM 0 H LEU A 49 -8.219 6.623 22.720 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.267 7.882 24.120 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.258 6.906 21.765 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.323 5.295 22.450 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.407 7.361 23.233 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.831 6.511 21.388 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.360 7.286 20.753 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.479 5.511 20.805 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.767 5.315 23.581 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.415 4.317 22.996 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.250 5.239 24.509 1.00 10.00 H new ATOM 720 N GLU A 50 -9.787 4.892 25.324 1.00 10.00 N ATOM 721 CA GLU A 50 -10.176 4.024 26.472 1.00 10.00 C ATOM 722 C GLU A 50 -9.802 4.696 27.795 1.00 10.00 C ATOM 723 O GLU A 50 -10.584 4.741 28.723 1.00 10.00 O ATOM 724 CB GLU A 50 -9.376 2.735 26.282 1.00 10.00 C ATOM 725 CG GLU A 50 -10.244 1.535 26.659 1.00 10.00 C ATOM 726 CD GLU A 50 -10.510 0.686 25.414 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.564 0.112 24.899 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.654 0.626 24.996 1.00 50.00 O ATOM 0 H GLU A 50 -9.012 4.544 24.760 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.250 3.838 26.503 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.047 2.648 25.246 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.479 2.757 26.901 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.744 0.936 27.420 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.186 1.875 27.088 1.00 10.00 H new ATOM 735 N ALA A 51 -8.611 5.219 27.888 1.00 10.00 N ATOM 736 CA ALA A 51 -8.186 5.887 29.151 1.00 10.00 C ATOM 737 C ALA A 51 -9.045 7.127 29.411 1.00 10.00 C ATOM 738 O ALA A 51 -9.265 7.517 30.540 1.00 10.00 O ATOM 739 CB ALA A 51 -6.728 6.281 28.920 1.00 12.50 C ATOM 0 H ALA A 51 -7.913 5.213 27.144 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.299 5.238 30.019 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.341 6.780 29.808 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.137 5.387 28.720 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.664 6.957 28.067 1.00 12.50 H new ATOM 745 N ALA A 52 -9.531 7.750 28.374 1.00 10.00 N ATOM 746 CA ALA A 52 -10.374 8.966 28.561 1.00 10.00 C ATOM 747 C ALA A 52 -11.759 8.576 29.074 1.00 10.00 C ATOM 748 O ALA A 52 -12.309 9.208 29.955 1.00 10.00 O ATOM 749 CB ALA A 52 -10.474 9.601 27.175 1.00 10.00 C ATOM 0 H ALA A 52 -9.381 7.471 27.405 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.947 9.653 29.292 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -11.081 10.504 27.232 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.476 9.857 26.819 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.936 8.896 26.484 1.00 10.00 H new ATOM 755 N GLU A 53 -12.323 7.539 28.530 1.00 10.00 N ATOM 756 CA GLU A 53 -13.673 7.101 28.985 1.00 10.00 C ATOM 757 C GLU A 53 -13.601 6.599 30.427 1.00 10.00 C ATOM 758 O GLU A 53 -14.536 6.732 31.191 1.00 10.00 O ATOM 759 CB GLU A 53 -14.066 5.967 28.038 1.00 10.00 C ATOM 760 CG GLU A 53 -15.583 5.773 28.077 1.00 10.00 C ATOM 761 CD GLU A 53 -15.904 4.289 28.264 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.834 3.562 27.286 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.212 3.905 29.380 1.00 10.00 O ATOM 0 H GLU A 53 -11.910 6.973 27.789 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.400 7.913 28.966 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.744 6.199 27.023 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.563 5.045 28.329 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -16.014 6.354 28.892 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -16.031 6.139 27.153 1.00 10.00 H new ATOM 770 N ALA A 54 -12.492 6.029 30.805 1.00 10.00 N ATOM 771 CA ALA A 54 -12.351 5.525 32.200 1.00 10.00 C ATOM 772 C ALA A 54 -12.099 6.696 33.152 1.00 10.00 C ATOM 773 O ALA A 54 -12.186 6.560 34.357 1.00 10.00 O ATOM 774 CB ALA A 54 -11.143 4.588 32.166 1.00 50.00 C ATOM 0 H ALA A 54 -11.676 5.890 30.209 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.247 5.013 32.551 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.974 4.175 33.161 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.332 3.776 31.464 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.260 5.144 31.849 1.00 50.00 H new ATOM 780 N GLN A 55 -11.791 7.849 32.620 1.00 10.00 N ATOM 781 CA GLN A 55 -11.540 9.030 33.493 1.00 10.00 C ATOM 782 C GLN A 55 -12.799 9.895 33.567 1.00 10.00 C ATOM 783 O GLN A 55 -13.101 10.484 34.586 1.00 10.00 O ATOM 784 CB GLN A 55 -10.401 9.791 32.818 1.00 10.00 C ATOM 785 CG GLN A 55 -9.133 8.934 32.840 1.00 10.00 C ATOM 786 CD GLN A 55 -8.198 9.435 33.942 1.00 10.00 C ATOM 787 OE1 GLN A 55 -7.921 8.727 34.889 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.697 10.637 33.857 1.00 10.00 N ATOM 0 H GLN A 55 -11.703 8.023 31.619 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.284 8.747 34.514 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.671 10.035 31.790 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.224 10.735 33.333 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.390 7.889 33.014 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.632 8.982 31.873 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.930 11.231 33.061 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.073 10.982 34.586 1.00 10.00 H new ATOM 797 N GLY A 56 -13.543 9.968 32.496 1.00 10.00 N ATOM 798 CA GLY A 56 -14.787 10.787 32.515 1.00 10.00 C ATOM 799 C GLY A 56 -14.805 11.759 31.331 1.00 10.00 C ATOM 800 O GLY A 56 -15.531 12.733 31.338 1.00 10.00 O ATOM 0 H GLY A 56 -13.344 9.498 31.613 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.660 10.135 32.472 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.850 11.343 33.451 1.00 10.00 H new ATOM 804 N TYR A 57 -14.027 11.512 30.310 1.00 10.00 N ATOM 805 CA TYR A 57 -14.038 12.444 29.143 1.00 10.00 C ATOM 806 C TYR A 57 -15.067 11.984 28.109 1.00 10.00 C ATOM 807 O TYR A 57 -14.783 11.166 27.257 1.00 10.00 O ATOM 808 CB TYR A 57 -12.625 12.405 28.551 1.00 10.00 C ATOM 809 CG TYR A 57 -11.603 12.473 29.660 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.930 13.079 30.879 1.00 10.00 C ATOM 811 CD2 TYR A 57 -10.325 11.938 29.463 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.979 13.147 31.903 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.374 12.006 30.487 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.701 12.611 31.706 1.00 12.50 C ATOM 815 OH TYR A 57 -8.762 12.678 32.717 1.00 12.50 O ATOM 0 H TYR A 57 -13.393 10.717 30.233 1.00 10.00 H new ATOM 0 HA TYR A 57 -14.311 13.456 29.442 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.488 11.491 27.974 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -12.486 13.240 27.864 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.916 13.494 31.029 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -10.073 11.473 28.521 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.231 13.613 32.844 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.388 11.592 30.337 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.215 12.664 33.586 1.00 12.50 H new ATOM 825 N ASP A 58 -16.260 12.512 28.172 1.00 10.00 N ATOM 826 CA ASP A 58 -17.307 12.113 27.189 1.00 10.00 C ATOM 827 C ASP A 58 -17.087 12.864 25.877 1.00 10.00 C ATOM 828 O ASP A 58 -17.891 13.677 25.467 1.00 10.00 O ATOM 829 CB ASP A 58 -18.632 12.525 27.832 1.00 10.00 C ATOM 830 CG ASP A 58 -19.743 11.588 27.356 1.00 10.00 C ATOM 831 OD1 ASP A 58 -19.634 11.087 26.248 1.00 10.00 O ATOM 832 OD2 ASP A 58 -20.684 11.387 28.106 1.00 10.00 O ATOM 0 H ASP A 58 -16.554 13.203 28.862 1.00 10.00 H new ATOM 0 HA ASP A 58 -17.286 11.048 26.960 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -18.549 12.486 28.918 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -18.872 13.555 27.568 1.00 10.00 H new ATOM 837 N TRP A 59 -15.991 12.601 25.223 1.00 10.00 N ATOM 838 CA TRP A 59 -15.690 13.300 23.942 1.00 10.00 C ATOM 839 C TRP A 59 -16.869 13.206 22.972 1.00 10.00 C ATOM 840 O TRP A 59 -17.763 12.404 23.147 1.00 10.00 O ATOM 841 CB TRP A 59 -14.482 12.560 23.375 1.00 10.00 C ATOM 842 CG TRP A 59 -13.307 12.713 24.287 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.428 11.728 24.568 1.00 10.00 C ATOM 844 CD2 TRP A 59 -12.855 13.887 25.033 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.469 12.219 25.431 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.684 13.540 25.744 1.00 50.00 C ATOM 847 CE3 TRP A 59 -13.333 15.204 25.162 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -11.012 14.457 26.551 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -12.658 16.132 25.972 1.00 50.00 C ATOM 850 CH2 TRP A 59 -11.498 15.758 26.665 1.00 50.00 C ATOM 0 H TRP A 59 -15.286 11.928 25.522 1.00 10.00 H new ATOM 0 HA TRP A 59 -15.501 14.362 24.095 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.719 11.504 23.250 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -14.238 12.951 22.387 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -12.468 10.721 24.181 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -10.692 11.666 25.794 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -14.226 15.504 24.634 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -10.121 14.161 27.084 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -13.035 17.140 26.062 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -10.983 16.476 27.285 1.00 50.00 H new ATOM 861 N PRO A 60 -16.814 14.040 21.968 1.00 10.00 N ATOM 862 CA PRO A 60 -17.878 14.069 20.933 1.00 10.00 C ATOM 863 C PRO A 60 -17.809 12.811 20.062 1.00 10.00 C ATOM 864 O PRO A 60 -16.803 12.527 19.444 1.00 10.00 O ATOM 865 CB PRO A 60 -17.547 15.317 20.116 1.00 10.00 C ATOM 866 CG PRO A 60 -16.081 15.533 20.322 1.00 10.00 C ATOM 867 CD PRO A 60 -15.762 15.032 21.705 1.00 10.00 C ATOM 0 HA PRO A 60 -18.884 14.094 21.351 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -17.781 15.172 19.061 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -18.125 16.177 20.456 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -15.501 14.995 19.572 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -15.828 16.589 20.224 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -14.769 14.584 21.749 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -15.781 15.839 22.437 1.00 10.00 H new ATOM 875 N PHE A 61 -18.871 12.054 20.010 1.00 10.00 N ATOM 876 CA PHE A 61 -18.863 10.814 19.180 1.00 10.00 C ATOM 877 C PHE A 61 -18.768 11.175 17.695 1.00 10.00 C ATOM 878 O PHE A 61 -19.129 12.261 17.285 1.00 10.00 O ATOM 879 CB PHE A 61 -20.193 10.124 19.485 1.00 10.00 C ATOM 880 CG PHE A 61 -20.102 9.432 20.825 1.00 10.00 C ATOM 881 CD1 PHE A 61 -19.375 8.242 20.950 1.00 10.00 C ATOM 882 CD2 PHE A 61 -20.743 9.981 21.941 1.00 10.00 C ATOM 883 CE1 PHE A 61 -19.289 7.602 22.191 1.00 10.00 C ATOM 884 CE2 PHE A 61 -20.659 9.340 23.183 1.00 10.00 C ATOM 885 CZ PHE A 61 -19.931 8.151 23.309 1.00 10.00 C ATOM 0 H PHE A 61 -19.743 12.240 20.505 1.00 10.00 H new ATOM 0 HA PHE A 61 -18.012 10.170 19.404 1.00 10.00 H new ATOM 0 HB2 PHE A 61 -21.001 10.855 19.495 1.00 10.00 H new ATOM 0 HB3 PHE A 61 -20.428 9.400 18.704 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -18.881 7.818 20.088 1.00 10.00 H new ATOM 0 HD2 PHE A 61 -21.303 10.900 21.844 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -18.728 6.684 22.287 1.00 10.00 H new ATOM 0 HE2 PHE A 61 -21.156 9.763 24.044 1.00 10.00 H new ATOM 0 HZ PHE A 61 -19.864 7.657 24.267 1.00 10.00 H new ATOM 895 N SER A 62 -18.283 10.273 16.885 1.00 10.00 N ATOM 896 CA SER A 62 -18.163 10.565 15.428 1.00 10.00 C ATOM 897 C SER A 62 -17.786 9.292 14.666 1.00 10.00 C ATOM 898 O SER A 62 -16.766 9.231 14.008 1.00 10.00 O ATOM 899 CB SER A 62 -17.046 11.604 15.325 1.00 10.00 C ATOM 900 OG SER A 62 -17.582 12.830 14.851 1.00 10.00 O ATOM 0 H SER A 62 -17.965 9.347 17.169 1.00 10.00 H new ATOM 0 HA SER A 62 -19.097 10.928 14.999 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.581 11.751 16.300 1.00 10.00 H new ATOM 0 HB3 SER A 62 -16.267 11.250 14.650 1.00 10.00 H new ATOM 0 HG SER A 62 -18.285 13.137 15.461 1.00 10.00 H new ATOM 906 N CYS A 63 -18.598 8.275 14.753 1.00 10.00 N ATOM 907 CA CYS A 63 -18.282 7.006 14.037 1.00 10.00 C ATOM 908 C CYS A 63 -19.550 6.166 13.864 1.00 10.00 C ATOM 909 O CYS A 63 -20.609 6.517 14.347 1.00 10.00 O ATOM 910 CB CYS A 63 -17.283 6.286 14.943 1.00 10.00 C ATOM 911 SG CYS A 63 -15.945 5.592 13.942 1.00 10.00 S ATOM 0 H CYS A 63 -19.466 8.267 15.288 1.00 10.00 H new ATOM 0 HA CYS A 63 -17.880 7.181 13.039 1.00 10.00 H new ATOM 0 HB2 CYS A 63 -16.878 6.981 15.678 1.00 10.00 H new ATOM 0 HB3 CYS A 63 -17.785 5.493 15.497 1.00 10.00 H new ATOM 916 N ARG A 64 -19.451 5.058 13.182 1.00 10.00 N ATOM 917 CA ARG A 64 -20.651 4.198 12.983 1.00 10.00 C ATOM 918 C ARG A 64 -20.915 3.364 14.240 1.00 10.00 C ATOM 919 O ARG A 64 -20.178 3.428 15.203 1.00 10.00 O ATOM 920 CB ARG A 64 -20.300 3.290 11.804 1.00 10.00 C ATOM 921 CG ARG A 64 -21.514 3.157 10.883 1.00 10.00 C ATOM 922 CD ARG A 64 -21.402 1.865 10.073 1.00 10.00 C ATOM 923 NE ARG A 64 -22.696 1.758 9.342 1.00 10.00 N ATOM 924 CZ ARG A 64 -22.712 1.358 8.100 1.00 10.00 C ATOM 925 NH1 ARG A 64 -21.819 0.504 7.678 1.00 10.00 N ATOM 926 NH2 ARG A 64 -23.620 1.809 7.280 1.00 10.00 N ATOM 0 H ARG A 64 -18.592 4.712 12.755 1.00 10.00 H new ATOM 0 HA ARG A 64 -21.551 4.783 12.792 1.00 10.00 H new ATOM 0 HB2 ARG A 64 -19.455 3.703 11.252 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -19.995 2.308 12.166 1.00 10.00 H new ATOM 0 HG2 ARG A 64 -22.431 3.151 11.472 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -21.571 4.015 10.213 1.00 10.00 H new ATOM 0 HD2 ARG A 64 -20.560 1.904 9.382 1.00 10.00 H new ATOM 0 HD3 ARG A 64 -21.243 1.004 10.722 1.00 10.00 H new ATOM 0 HE ARG A 64 -23.569 1.997 9.812 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -21.109 0.150 8.319 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -21.831 0.191 6.707 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -24.319 2.475 7.609 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -23.631 1.496 6.309 1.00 10.00 H new ATOM 940 N ALA A 65 -21.958 2.582 14.237 1.00 10.00 N ATOM 941 CA ALA A 65 -22.264 1.745 15.432 1.00 10.00 C ATOM 942 C ALA A 65 -21.311 0.550 15.495 1.00 10.00 C ATOM 943 O ALA A 65 -20.818 0.083 14.489 1.00 10.00 O ATOM 944 CB ALA A 65 -23.703 1.274 15.230 1.00 10.00 C ATOM 0 H ALA A 65 -22.612 2.486 13.460 1.00 10.00 H new ATOM 0 HA ALA A 65 -22.145 2.297 16.365 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -24.003 0.650 16.072 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -24.363 2.139 15.166 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -23.771 0.697 14.308 1.00 10.00 H new ATOM 950 N GLY A 66 -21.046 0.052 16.672 1.00 10.00 N ATOM 951 CA GLY A 66 -20.126 -1.113 16.797 1.00 10.00 C ATOM 952 C GLY A 66 -19.025 -0.787 17.807 1.00 10.00 C ATOM 953 O GLY A 66 -17.853 -0.795 17.488 1.00 10.00 O ATOM 0 H GLY A 66 -21.427 0.401 17.551 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -20.680 -1.995 17.119 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -19.687 -1.349 15.828 1.00 10.00 H new ATOM 957 N ALA A 67 -19.391 -0.502 19.027 1.00 10.00 N ATOM 958 CA ALA A 67 -18.363 -0.178 20.058 1.00 10.00 C ATOM 959 C ALA A 67 -17.424 0.916 19.544 1.00 10.00 C ATOM 960 O ALA A 67 -16.324 1.082 20.031 1.00 10.00 O ATOM 961 CB ALA A 67 -17.597 -1.484 20.274 1.00 10.00 C ATOM 0 H ALA A 67 -20.357 -0.479 19.355 1.00 10.00 H new ATOM 0 HA ALA A 67 -18.806 0.194 20.982 1.00 10.00 H new ATOM 0 HB1 ALA A 67 -16.819 -1.330 21.022 1.00 10.00 H new ATOM 0 HB2 ALA A 67 -18.284 -2.256 20.619 1.00 10.00 H new ATOM 0 HB3 ALA A 67 -17.141 -1.798 19.335 1.00 10.00 H new ATOM 967 N CYS A 68 -17.849 1.662 18.563 1.00 10.00 N ATOM 968 CA CYS A 68 -16.980 2.744 18.019 1.00 10.00 C ATOM 969 C CYS A 68 -17.362 4.090 18.644 1.00 10.00 C ATOM 970 O CYS A 68 -18.481 4.545 18.526 1.00 10.00 O ATOM 971 CB CYS A 68 -17.255 2.750 16.514 1.00 10.00 C ATOM 972 SG CYS A 68 -15.717 2.413 15.620 1.00 10.00 S ATOM 0 H CYS A 68 -18.760 1.570 18.114 1.00 10.00 H new ATOM 0 HA CYS A 68 -15.925 2.581 18.239 1.00 10.00 H new ATOM 0 HB2 CYS A 68 -18.004 1.998 16.267 1.00 10.00 H new ATOM 0 HB3 CYS A 68 -17.661 3.715 16.211 1.00 10.00 H new ATOM 977 N ALA A 69 -16.439 4.729 19.312 1.00 10.00 N ATOM 978 CA ALA A 69 -16.752 6.042 19.947 1.00 10.00 C ATOM 979 C ALA A 69 -16.118 7.186 19.149 1.00 10.00 C ATOM 980 O ALA A 69 -15.972 7.109 17.946 1.00 10.00 O ATOM 981 CB ALA A 69 -16.143 5.962 21.347 1.00 25.00 C ATOM 0 H ALA A 69 -15.483 4.399 19.445 1.00 10.00 H new ATOM 0 HA ALA A 69 -17.824 6.237 19.979 1.00 10.00 H new ATOM 0 HB1 ALA A 69 -16.332 6.894 21.880 1.00 25.00 H new ATOM 0 HB2 ALA A 69 -16.595 5.134 21.893 1.00 25.00 H new ATOM 0 HB3 ALA A 69 -15.068 5.801 21.267 1.00 25.00 H new ATOM 987 N ASN A 70 -15.745 8.248 19.812 1.00 10.00 N ATOM 988 CA ASN A 70 -15.125 9.400 19.095 1.00 10.00 C ATOM 989 C ASN A 70 -13.884 8.942 18.322 1.00 10.00 C ATOM 990 O ASN A 70 -13.385 7.852 18.517 1.00 10.00 O ATOM 991 CB ASN A 70 -14.737 10.390 20.193 1.00 50.00 C ATOM 992 CG ASN A 70 -13.840 9.691 21.217 1.00 50.00 C ATOM 993 OD1 ASN A 70 -14.322 9.133 22.183 1.00 50.00 O ATOM 994 ND2 ASN A 70 -12.546 9.700 21.047 1.00 50.00 N ATOM 0 H ASN A 70 -15.843 8.368 20.820 1.00 10.00 H new ATOM 0 HA ASN A 70 -15.804 9.844 18.367 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -14.216 11.244 19.760 1.00 50.00 H new ATOM 0 HB3 ASN A 70 -15.631 10.777 20.681 1.00 50.00 H new ATOM 0 HD21 ASN A 70 -11.939 9.239 21.725 1.00 50.00 H new ATOM 0 HD22 ASN A 70 -12.141 10.168 20.236 1.00 50.00 H new ATOM 1001 N CYS A 71 -13.382 9.771 17.445 1.00 10.00 N ATOM 1002 CA CYS A 71 -12.173 9.387 16.660 1.00 10.00 C ATOM 1003 C CYS A 71 -11.657 10.589 15.864 1.00 10.00 C ATOM 1004 O CYS A 71 -11.861 10.687 14.670 1.00 10.00 O ATOM 1005 CB CYS A 71 -12.650 8.285 15.715 1.00 10.00 C ATOM 1006 SG CYS A 71 -11.383 6.998 15.596 1.00 10.00 S ATOM 0 H CYS A 71 -13.757 10.697 17.239 1.00 10.00 H new ATOM 0 HA CYS A 71 -11.355 9.052 17.298 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -13.584 7.858 16.080 1.00 10.00 H new ATOM 0 HB3 CYS A 71 -12.854 8.701 14.728 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.991 11.504 16.513 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.467 12.695 15.786 1.00 10.00 C ATOM 1013 C ALA A 72 -9.648 13.578 16.732 1.00 10.00 C ATOM 1014 O ALA A 72 -10.161 14.491 17.347 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.711 13.438 15.301 1.00 10.00 C ATOM 0 H ALA A 72 -10.787 11.479 17.512 1.00 10.00 H new ATOM 0 HA ALA A 72 -9.808 12.419 14.963 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.411 14.332 14.754 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.290 12.788 14.645 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.321 13.725 16.158 1.00 10.00 H new ATOM 1021 N SER A 73 -8.374 13.314 16.851 1.00 10.00 N ATOM 1022 CA SER A 73 -7.523 14.138 17.756 1.00 10.00 C ATOM 1023 C SER A 73 -6.260 14.601 17.022 1.00 10.00 C ATOM 1024 O SER A 73 -5.681 13.872 16.242 1.00 10.00 O ATOM 1025 CB SER A 73 -7.160 13.209 18.914 1.00 50.00 C ATOM 1026 OG SER A 73 -8.197 12.256 19.099 1.00 50.00 O ATOM 0 H SER A 73 -7.887 12.564 16.361 1.00 10.00 H new ATOM 0 HA SER A 73 -8.036 15.036 18.100 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.218 12.702 18.706 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.016 13.787 19.827 1.00 50.00 H new ATOM 0 HG SER A 73 -8.563 12.343 20.004 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.830 15.809 17.268 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.607 16.322 16.588 1.00 10.00 C ATOM 1034 C ILE A 74 -3.413 16.254 17.548 1.00 10.00 C ATOM 1035 O ILE A 74 -3.153 17.175 18.297 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.953 17.774 16.217 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.576 17.808 14.819 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.691 18.645 16.224 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.640 16.715 14.700 1.00 10.00 C ATOM 0 H ILE A 74 -6.274 16.464 17.912 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.328 15.741 15.709 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.658 18.163 16.951 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.022 18.785 14.633 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -4.804 17.661 14.063 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.954 19.669 15.959 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.244 18.631 17.218 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.976 18.255 15.499 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.081 16.743 13.703 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -6.181 15.741 14.866 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -7.418 16.882 15.445 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.686 15.170 17.530 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.513 15.049 18.442 1.00 10.00 C ATOM 1053 C VAL A 75 -0.605 16.274 18.296 1.00 10.00 C ATOM 1054 O VAL A 75 -0.132 16.580 17.219 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.783 13.785 17.985 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.425 13.911 16.502 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.498 13.612 18.805 1.00 50.00 C ATOM 0 H VAL A 75 -2.853 14.366 16.925 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.808 14.992 19.490 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.429 12.919 18.131 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.095 13.011 16.176 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.336 14.036 15.917 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.221 14.777 16.356 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.019 12.711 18.480 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.144 14.478 18.658 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.245 13.523 19.861 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.357 16.976 19.368 1.00 10.00 N ATOM 1068 CA LYS A 76 0.520 18.177 19.282 1.00 10.00 C ATOM 1069 C LYS A 76 1.981 17.771 19.493 1.00 10.00 C ATOM 1070 O LYS A 76 2.887 18.560 19.313 1.00 10.00 O ATOM 1071 CB LYS A 76 0.049 19.097 20.409 1.00 25.00 C ATOM 1072 CG LYS A 76 0.508 20.529 20.125 1.00 25.00 C ATOM 1073 CD LYS A 76 -0.591 21.275 19.363 1.00 50.00 C ATOM 1074 CE LYS A 76 -0.322 21.186 17.859 1.00 50.00 C ATOM 1075 NZ LYS A 76 -1.600 20.698 17.271 1.00 50.00 N ATOM 0 H LYS A 76 -0.723 16.770 20.298 1.00 10.00 H new ATOM 0 HA LYS A 76 0.460 18.667 18.310 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -1.037 19.062 20.492 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.452 18.757 21.363 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.730 21.043 21.060 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.428 20.518 19.540 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.565 20.844 19.595 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -0.621 22.319 19.676 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -0.043 22.157 17.449 1.00 50.00 H new ATOM 0 HE3 LYS A 76 0.499 20.502 17.644 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -1.398 20.130 16.424 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -2.102 20.113 17.969 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -2.194 21.510 17.009 1.00 50.00 H new ATOM 1089 N GLU A 77 2.215 16.543 19.872 1.00 10.00 N ATOM 1090 CA GLU A 77 3.616 16.085 20.093 1.00 10.00 C ATOM 1091 C GLU A 77 3.632 14.622 20.546 1.00 10.00 C ATOM 1092 O GLU A 77 2.609 14.052 20.871 1.00 10.00 O ATOM 1093 CB GLU A 77 4.160 16.993 21.196 1.00 10.00 C ATOM 1094 CG GLU A 77 5.157 17.985 20.594 1.00 10.00 C ATOM 1095 CD GLU A 77 6.299 18.223 21.583 1.00 25.00 C ATOM 1096 OE1 GLU A 77 7.062 17.298 21.809 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.391 19.325 22.098 1.00 25.00 O ATOM 0 H GLU A 77 1.497 15.838 20.038 1.00 10.00 H new ATOM 0 HA GLU A 77 4.216 16.141 19.185 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.342 17.530 21.677 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.646 16.395 21.967 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.550 17.597 19.654 1.00 10.00 H new ATOM 0 HG3 GLU A 77 4.657 18.926 20.366 1.00 10.00 H new ATOM 1104 N GLY A 78 4.785 14.012 20.570 1.00 10.00 N ATOM 1105 CA GLY A 78 4.866 12.589 21.002 1.00 10.00 C ATOM 1106 C GLY A 78 4.563 11.675 19.813 1.00 10.00 C ATOM 1107 O GLY A 78 4.851 11.999 18.678 1.00 10.00 O ATOM 0 H GLY A 78 5.674 14.438 20.309 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.859 12.374 21.396 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.156 12.402 21.808 1.00 10.00 H new ATOM 1111 N GLU A 79 3.980 10.534 20.064 1.00 10.00 N ATOM 1112 CA GLU A 79 3.657 9.600 18.949 1.00 10.00 C ATOM 1113 C GLU A 79 2.796 8.443 19.465 1.00 10.00 C ATOM 1114 O GLU A 79 3.053 7.886 20.514 1.00 10.00 O ATOM 1115 CB GLU A 79 5.011 9.089 18.454 1.00 25.00 C ATOM 1116 CG GLU A 79 5.571 8.069 19.446 1.00 25.00 C ATOM 1117 CD GLU A 79 7.099 8.144 19.448 1.00 50.00 C ATOM 1118 OE1 GLU A 79 7.657 8.488 18.418 1.00 50.00 O ATOM 1119 OE2 GLU A 79 7.686 7.857 20.478 1.00 50.00 O ATOM 0 H GLU A 79 3.714 10.209 20.993 1.00 10.00 H new ATOM 0 HA GLU A 79 3.092 10.084 18.152 1.00 10.00 H new ATOM 0 HB2 GLU A 79 4.901 8.632 17.471 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.706 9.921 18.342 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.185 8.269 20.446 1.00 25.00 H new ATOM 0 HG3 GLU A 79 5.246 7.065 19.174 1.00 25.00 H new ATOM 1126 N ILE A 80 1.774 8.080 18.739 1.00 10.00 N ATOM 1127 CA ILE A 80 0.897 6.964 19.196 1.00 10.00 C ATOM 1128 C ILE A 80 1.081 5.736 18.298 1.00 10.00 C ATOM 1129 O ILE A 80 1.285 5.849 17.106 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.527 7.505 19.072 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.591 8.916 19.662 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.488 6.589 19.833 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.957 9.535 19.360 1.00 50.00 C ATOM 0 H ILE A 80 1.509 8.507 17.851 1.00 10.00 H new ATOM 0 HA ILE A 80 1.131 6.649 20.213 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.813 7.539 18.021 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.427 8.879 20.739 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.201 9.534 19.240 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.504 6.974 19.745 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.443 5.584 19.412 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.202 6.555 20.884 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.002 10.540 19.780 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.103 9.586 18.281 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.741 8.921 19.803 1.00 50.00 H new ATOM 1145 N ASP A 81 1.002 4.562 18.865 1.00 10.00 N ATOM 1146 CA ASP A 81 1.163 3.323 18.051 1.00 10.00 C ATOM 1147 C ASP A 81 -0.198 2.650 17.853 1.00 10.00 C ATOM 1148 O ASP A 81 -1.148 2.935 18.555 1.00 10.00 O ATOM 1149 CB ASP A 81 2.091 2.426 18.870 1.00 10.00 C ATOM 1150 CG ASP A 81 2.893 1.527 17.926 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.720 2.051 17.199 1.00 10.00 O ATOM 1152 OD2 ASP A 81 2.667 0.328 17.948 1.00 10.00 O ATOM 0 H ASP A 81 0.833 4.408 19.859 1.00 10.00 H new ATOM 0 HA ASP A 81 1.569 3.526 17.060 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.766 3.035 19.471 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.509 1.818 19.562 1.00 10.00 H new ATOM 1157 N MET A 82 -0.306 1.763 16.902 1.00 12.50 N ATOM 1158 CA MET A 82 -1.611 1.082 16.668 1.00 12.50 C ATOM 1159 C MET A 82 -1.388 -0.378 16.263 1.00 12.50 C ATOM 1160 O MET A 82 -0.387 -0.721 15.666 1.00 12.50 O ATOM 1161 CB MET A 82 -2.262 1.860 15.524 1.00 12.50 C ATOM 1162 CG MET A 82 -1.247 2.050 14.396 1.00 12.50 C ATOM 1163 SD MET A 82 -1.971 3.084 13.100 1.00 12.50 S ATOM 1164 CE MET A 82 -0.488 3.240 12.077 1.00 50.00 C ATOM 0 H MET A 82 0.450 1.481 16.279 1.00 12.50 H new ATOM 0 HA MET A 82 -2.234 1.069 17.563 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.136 1.323 15.155 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.611 2.829 15.881 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.340 2.515 14.783 1.00 12.50 H new ATOM 0 HG3 MET A 82 -0.959 1.082 13.985 1.00 12.50 H new ATOM 0 HE1 MET A 82 -0.497 4.203 11.567 1.00 50.00 H new ATOM 0 HE2 MET A 82 0.398 3.172 12.708 1.00 50.00 H new ATOM 0 HE3 MET A 82 -0.470 2.439 11.338 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.316 -1.239 16.582 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.161 -2.676 16.215 1.00 50.00 C ATOM 1176 C ASP A 83 -2.169 -2.837 14.692 1.00 50.00 C ATOM 1177 O ASP A 83 -2.317 -1.879 13.959 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.372 -3.376 16.832 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.089 -3.683 18.304 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.186 -4.463 18.563 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.781 -3.137 19.148 1.00 50.00 O ATOM 0 H ASP A 83 -3.175 -1.009 17.081 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.221 -3.094 16.575 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.255 -2.743 16.745 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.587 -4.298 16.292 1.00 50.00 H new ATOM 1186 N MET A 84 -2.009 -4.039 14.212 1.00 50.00 N ATOM 1187 CA MET A 84 -2.006 -4.260 12.738 1.00 50.00 C ATOM 1188 C MET A 84 -3.213 -3.568 12.096 1.00 50.00 C ATOM 1189 O MET A 84 -4.332 -4.026 12.199 1.00 50.00 O ATOM 1190 CB MET A 84 -2.103 -5.775 12.563 1.00 50.00 C ATOM 1191 CG MET A 84 -0.932 -6.446 13.284 1.00 50.00 C ATOM 1192 SD MET A 84 -0.096 -7.580 12.149 1.00 50.00 S ATOM 1193 CE MET A 84 1.543 -6.818 12.232 1.00 50.00 C ATOM 0 H MET A 84 -1.880 -4.879 14.777 1.00 50.00 H new ATOM 0 HA MET A 84 -1.115 -3.851 12.262 1.00 50.00 H new ATOM 0 HB2 MET A 84 -3.049 -6.139 12.965 1.00 50.00 H new ATOM 0 HB3 MET A 84 -2.087 -6.032 11.504 1.00 50.00 H new ATOM 0 HG2 MET A 84 -0.232 -5.692 13.643 1.00 50.00 H new ATOM 0 HG3 MET A 84 -1.292 -6.989 14.158 1.00 50.00 H new ATOM 0 HE1 MET A 84 2.233 -7.369 11.593 1.00 50.00 H new ATOM 0 HE2 MET A 84 1.481 -5.784 11.893 1.00 50.00 H new ATOM 0 HE3 MET A 84 1.904 -6.842 13.260 1.00 50.00 H new ATOM 1203 N GLN A 85 -2.990 -2.467 11.432 1.00 16.66 N ATOM 1204 CA GLN A 85 -4.120 -1.743 10.781 1.00 16.66 C ATOM 1205 C GLN A 85 -3.592 -0.528 10.016 1.00 16.66 C ATOM 1206 O GLN A 85 -4.247 0.490 9.914 1.00 16.66 O ATOM 1207 CB GLN A 85 -5.025 -1.301 11.932 1.00 16.66 C ATOM 1208 CG GLN A 85 -6.430 -1.018 11.397 1.00 16.66 C ATOM 1209 CD GLN A 85 -7.088 0.074 12.242 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -7.602 -0.194 13.310 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -7.091 1.305 11.807 1.00 16.66 N ATOM 0 H GLN A 85 -2.073 -2.037 11.312 1.00 16.66 H new ATOM 0 HA GLN A 85 -4.653 -2.366 10.063 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -5.065 -2.077 12.696 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -4.618 -0.408 12.406 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -6.377 -0.704 10.355 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -7.031 -1.927 11.426 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -6.660 1.530 10.911 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -7.525 2.042 12.364 1.00 16.66 H new ATOM 1220 N GLN A 86 -2.408 -0.628 9.477 1.00 16.66 N ATOM 1221 CA GLN A 86 -1.830 0.517 8.717 1.00 16.66 C ATOM 1222 C GLN A 86 -2.866 1.087 7.745 1.00 16.66 C ATOM 1223 O GLN A 86 -3.354 0.401 6.869 1.00 16.66 O ATOM 1224 CB GLN A 86 -0.644 -0.073 7.955 1.00 16.66 C ATOM 1225 CG GLN A 86 0.530 -0.272 8.914 1.00 16.66 C ATOM 1226 CD GLN A 86 1.732 0.537 8.423 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.828 1.720 8.679 1.00 50.00 O ATOM 1228 NE2 GLN A 86 2.658 -0.056 7.720 1.00 50.00 N ATOM 0 H GLN A 86 -1.814 -1.456 9.530 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.528 1.336 9.370 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -0.925 -1.025 7.504 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -0.354 0.592 7.141 1.00 16.66 H new ATOM 0 HG2 GLN A 86 0.251 0.045 9.919 1.00 16.66 H new ATOM 0 HG3 GLN A 86 0.789 -1.329 8.974 1.00 16.66 H new ATOM 0 HE21 GLN A 86 2.577 -1.050 7.505 1.00 50.00 H new ATOM 0 HE22 GLN A 86 3.463 0.474 7.386 1.00 50.00 H new ATOM 1237 N ILE A 87 -3.202 2.338 7.890 1.00 12.50 N ATOM 1238 CA ILE A 87 -4.202 2.955 6.974 1.00 12.50 C ATOM 1239 C ILE A 87 -3.994 4.470 6.915 1.00 12.50 C ATOM 1240 O ILE A 87 -4.095 5.080 5.868 1.00 12.50 O ATOM 1241 CB ILE A 87 -5.562 2.620 7.587 1.00 50.00 C ATOM 1242 CG1 ILE A 87 -6.665 3.331 6.801 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -5.595 3.083 9.045 1.00 50.00 C ATOM 1244 CD1 ILE A 87 -7.340 2.335 5.855 1.00 50.00 C ATOM 0 H ILE A 87 -2.827 2.961 8.605 1.00 12.50 H new ATOM 0 HA ILE A 87 -4.116 2.582 5.953 1.00 12.50 H new ATOM 0 HB ILE A 87 -5.722 1.543 7.545 1.00 50.00 H new ATOM 0 HG12 ILE A 87 -7.400 3.754 7.486 1.00 50.00 H new ATOM 0 HG13 ILE A 87 -6.245 4.161 6.233 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -6.565 2.844 9.481 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -4.810 2.576 9.606 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -5.434 4.160 9.088 1.00 50.00 H new ATOM 0 HD11 ILE A 87 -8.126 2.841 5.295 1.00 50.00 H new ATOM 0 HD12 ILE A 87 -6.601 1.934 5.162 1.00 50.00 H new ATOM 0 HD13 ILE A 87 -7.774 1.520 6.434 1.00 50.00 H new ATOM 1256 N LEU A 88 -3.700 5.082 8.030 1.00 12.50 N ATOM 1257 CA LEU A 88 -3.481 6.556 8.039 1.00 12.50 C ATOM 1258 C LEU A 88 -2.222 6.908 7.244 1.00 12.50 C ATOM 1259 O LEU A 88 -1.427 6.051 6.911 1.00 12.50 O ATOM 1260 CB LEU A 88 -3.304 6.921 9.513 1.00 12.50 C ATOM 1261 CG LEU A 88 -4.136 8.163 9.836 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -5.463 7.737 10.468 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -3.366 9.052 10.815 1.00 12.50 C ATOM 0 H LEU A 88 -3.602 4.624 8.936 1.00 12.50 H new ATOM 0 HA LEU A 88 -4.308 7.099 7.581 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -3.614 6.088 10.144 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -2.252 7.109 9.728 1.00 12.50 H new ATOM 0 HG LEU A 88 -4.332 8.718 8.919 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -6.057 8.622 10.699 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -6.011 7.104 9.771 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -5.267 7.182 11.386 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -3.958 9.937 11.046 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -3.170 8.498 11.733 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -2.421 9.355 10.365 1.00 12.50 H new ATOM 1275 N SER A 89 -2.033 8.162 6.937 1.00 12.50 N ATOM 1276 CA SER A 89 -0.823 8.565 6.164 1.00 12.50 C ATOM 1277 C SER A 89 0.178 9.276 7.078 1.00 12.50 C ATOM 1278 O SER A 89 -0.193 10.040 7.948 1.00 12.50 O ATOM 1279 CB SER A 89 -1.341 9.520 5.088 1.00 12.50 C ATOM 1280 OG SER A 89 -0.541 9.397 3.922 1.00 12.50 O ATOM 0 H SER A 89 -2.663 8.924 7.187 1.00 12.50 H new ATOM 0 HA SER A 89 -0.304 7.709 5.733 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.381 9.292 4.854 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.314 10.546 5.454 1.00 12.50 H new ATOM 0 HG SER A 89 -0.873 10.008 3.231 1.00 12.50 H new ATOM 1286 N ASP A 90 1.445 9.030 6.889 1.00 10.00 N ATOM 1287 CA ASP A 90 2.471 9.691 7.747 1.00 10.00 C ATOM 1288 C ASP A 90 2.329 11.210 7.666 1.00 10.00 C ATOM 1289 O ASP A 90 2.269 11.895 8.668 1.00 10.00 O ATOM 1290 CB ASP A 90 3.816 9.245 7.172 1.00 10.00 C ATOM 1291 CG ASP A 90 4.931 9.578 8.166 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.825 10.601 8.823 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.870 8.804 8.254 1.00 10.00 O ATOM 0 H ASP A 90 1.815 8.400 6.178 1.00 10.00 H new ATOM 0 HA ASP A 90 2.368 9.419 8.798 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.801 8.174 6.972 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.001 9.745 6.221 1.00 10.00 H new ATOM 1298 N GLU A 91 2.268 11.740 6.479 1.00 12.50 N ATOM 1299 CA GLU A 91 2.126 13.215 6.329 1.00 12.50 C ATOM 1300 C GLU A 91 0.896 13.697 7.100 1.00 12.50 C ATOM 1301 O GLU A 91 0.817 14.834 7.517 1.00 12.50 O ATOM 1302 CB GLU A 91 1.946 13.450 4.828 1.00 12.50 C ATOM 1303 CG GLU A 91 0.847 12.529 4.291 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.412 13.349 3.996 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.323 14.565 4.016 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -1.444 12.744 3.754 1.00 50.00 O ATOM 0 H GLU A 91 2.310 11.216 5.605 1.00 12.50 H new ATOM 0 HA GLU A 91 2.986 13.758 6.721 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.684 14.492 4.642 1.00 12.50 H new ATOM 0 HB3 GLU A 91 2.883 13.258 4.305 1.00 12.50 H new ATOM 0 HG2 GLU A 91 1.188 12.029 3.384 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.623 11.750 5.020 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.061 12.833 7.295 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.289 13.232 8.043 1.00 10.00 C ATOM 1315 C GLU A 92 -0.948 13.506 9.510 1.00 10.00 C ATOM 1316 O GLU A 92 -1.400 14.470 10.094 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.228 12.032 7.926 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.637 12.518 7.584 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.358 11.450 6.757 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.943 10.305 6.816 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.312 11.796 6.081 1.00 50.00 O ATOM 0 H GLU A 92 -0.047 11.867 6.969 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.738 14.142 7.646 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.870 11.350 7.155 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.241 11.475 8.863 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.194 12.723 8.498 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.585 13.453 7.025 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.155 12.661 10.112 1.00 10.00 N ATOM 1329 CA VAL A 93 0.215 12.871 11.540 1.00 10.00 C ATOM 1330 C VAL A 93 1.176 14.056 11.671 1.00 10.00 C ATOM 1331 O VAL A 93 1.194 14.746 12.670 1.00 10.00 O ATOM 1332 CB VAL A 93 0.899 11.572 11.965 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.074 11.560 13.485 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.039 10.380 11.541 1.00 10.00 C ATOM 0 H VAL A 93 0.252 11.834 9.676 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.650 13.098 12.163 1.00 10.00 H new ATOM 0 HB VAL A 93 1.876 11.503 11.487 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.562 10.633 13.788 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.688 12.409 13.787 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.097 11.629 13.964 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.527 9.453 11.844 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.939 10.449 12.018 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.085 10.388 10.458 1.00 10.00 H new ATOM 1344 N GLU A 94 1.976 14.296 10.668 1.00 12.50 N ATOM 1345 CA GLU A 94 2.936 15.435 10.736 1.00 12.50 C ATOM 1346 C GLU A 94 2.303 16.697 10.144 1.00 12.50 C ATOM 1347 O GLU A 94 2.635 17.804 10.521 1.00 12.50 O ATOM 1348 CB GLU A 94 4.136 14.992 9.898 1.00 12.50 C ATOM 1349 CG GLU A 94 5.165 14.312 10.804 1.00 12.50 C ATOM 1350 CD GLU A 94 6.052 13.389 9.965 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.528 13.833 8.934 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.239 12.253 10.369 1.00 12.50 O ATOM 0 H GLU A 94 2.007 13.753 9.805 1.00 12.50 H new ATOM 0 HA GLU A 94 3.221 15.675 11.760 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.814 14.305 9.116 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.584 15.853 9.402 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.775 15.062 11.307 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.659 13.740 11.582 1.00 12.50 H new ATOM 1359 N GLU A 95 1.396 16.541 9.220 1.00 12.50 N ATOM 1360 CA GLU A 95 0.744 17.734 8.605 1.00 12.50 C ATOM 1361 C GLU A 95 -0.640 17.961 9.218 1.00 12.50 C ATOM 1362 O GLU A 95 -1.140 19.068 9.254 1.00 12.50 O ATOM 1363 CB GLU A 95 0.624 17.398 7.119 1.00 25.00 C ATOM 1364 CG GLU A 95 0.211 18.651 6.345 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.292 18.601 6.063 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.827 17.507 6.003 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.882 19.658 5.912 1.00 50.00 O ATOM 0 H GLU A 95 1.077 15.640 8.863 1.00 12.50 H new ATOM 0 HA GLU A 95 1.316 18.647 8.772 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.575 17.022 6.742 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.112 16.608 6.972 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.455 19.544 6.920 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.766 18.713 5.409 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.265 16.921 9.702 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.616 17.083 10.311 1.00 25.00 C ATOM 1376 C LYS A 96 -2.581 16.705 11.795 1.00 25.00 C ATOM 1377 O LYS A 96 -3.439 17.089 12.562 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.519 16.124 9.535 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.814 16.843 9.151 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.156 16.535 7.692 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.942 17.704 7.094 1.00 25.00 C ATOM 1382 NZ LYS A 96 -5.263 18.000 5.801 1.00 25.00 N ATOM 0 H LYS A 96 -0.899 15.969 9.702 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.970 18.112 10.256 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.008 15.770 8.640 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.743 15.247 10.142 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.627 16.522 9.802 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.700 17.918 9.290 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.243 16.367 7.121 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -5.743 15.619 7.631 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -6.988 17.439 6.940 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.927 18.570 7.756 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -5.744 18.792 5.329 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -4.271 18.255 5.980 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -5.299 17.160 5.190 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.592 15.956 12.203 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.499 15.554 13.638 1.00 10.00 C ATOM 1398 C ASP A 97 -2.639 14.596 13.993 1.00 10.00 C ATOM 1399 O ASP A 97 -2.928 14.361 15.149 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.633 16.854 14.438 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.863 17.978 13.738 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.326 17.811 13.524 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.478 18.987 13.429 1.00 50.00 O ATOM 0 H ASP A 97 -0.844 15.605 11.605 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.563 15.039 13.855 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.684 17.126 14.533 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.248 16.711 15.448 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.295 14.048 13.009 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.421 13.114 13.296 1.00 10.00 C ATOM 1410 C VAL A 98 -3.919 11.669 13.366 1.00 10.00 C ATOM 1411 O VAL A 98 -3.048 11.264 12.620 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.385 13.289 12.123 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.640 12.447 12.365 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.773 14.764 12.000 1.00 50.00 C ATOM 0 H VAL A 98 -3.101 14.205 12.020 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.895 13.326 14.254 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.902 12.963 11.202 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.328 12.571 11.529 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.362 11.397 12.453 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.125 12.773 13.285 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.461 14.891 11.164 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.257 15.091 12.920 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.878 15.362 11.828 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.465 10.888 14.257 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.029 9.467 14.380 1.00 10.00 C ATOM 1426 C ARG A 99 -5.076 8.663 15.155 1.00 10.00 C ATOM 1427 O ARG A 99 -5.721 9.171 16.051 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.710 9.519 15.154 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.029 8.150 15.091 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.511 8.339 15.045 1.00 50.00 C ATOM 1431 NE ARG A 99 0.050 6.975 15.260 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.999 6.530 14.483 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.798 7.369 13.883 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.148 5.245 14.306 1.00 50.00 N ATOM 0 H ARG A 99 -5.197 11.173 14.908 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.910 8.985 13.410 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.057 10.282 14.730 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.895 9.798 16.191 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.306 7.553 15.960 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.365 7.604 14.209 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.193 8.751 14.087 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.175 9.031 15.817 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.308 6.389 16.015 1.00 50.00 H new ATOM 0 HH11 ARG A 99 1.681 8.373 14.021 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.540 7.021 13.276 1.00 50.00 H new ATOM 0 HH21 ARG A 99 0.523 4.590 14.775 1.00 50.00 H new ATOM 0 HH22 ARG A 99 1.890 4.896 13.699 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.251 7.415 14.816 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.259 6.581 15.532 1.00 10.00 C ATOM 1450 C LEU A 100 -6.202 6.851 17.039 1.00 10.00 C ATOM 1451 O LEU A 100 -5.141 6.930 17.626 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.864 5.135 15.232 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.313 4.769 13.816 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -5.528 3.549 13.330 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.808 4.444 13.822 1.00 10.00 C ATOM 0 H LEU A 100 -4.740 6.936 14.074 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.277 6.801 15.210 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.785 5.014 15.326 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.324 4.463 15.956 1.00 10.00 H new ATOM 0 HG LEU A 100 -6.127 5.610 13.148 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -5.848 3.289 12.321 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.463 3.780 13.324 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.713 2.708 13.998 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.128 4.183 12.813 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.995 3.604 14.490 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -8.368 5.313 14.167 1.00 10.00 H new ATOM 1467 N THR A 101 -7.337 6.993 17.667 1.00 10.00 N ATOM 1468 CA THR A 101 -7.350 7.257 19.135 1.00 10.00 C ATOM 1469 C THR A 101 -8.146 6.166 19.858 1.00 10.00 C ATOM 1470 O THR A 101 -8.022 5.982 21.052 1.00 10.00 O ATOM 1471 CB THR A 101 -8.036 8.615 19.289 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.731 9.428 18.165 1.00 10.00 O ATOM 1473 CG2 THR A 101 -7.538 9.297 20.565 1.00 10.00 C ATOM 0 H THR A 101 -8.256 6.938 17.228 1.00 10.00 H new ATOM 0 HA THR A 101 -6.348 7.258 19.565 1.00 10.00 H new ATOM 0 HB THR A 101 -9.115 8.473 19.352 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.848 10.372 18.403 1.00 10.00 H new ATOM 0 HG21 THR A 101 -8.027 10.265 20.675 1.00 10.00 H new ATOM 0 HG22 THR A 101 -7.773 8.672 21.427 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.459 9.440 20.504 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.961 5.440 19.142 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.762 4.362 19.788 1.00 10.00 C ATOM 1483 C CYS A 102 -9.082 3.006 19.585 1.00 10.00 C ATOM 1484 O CYS A 102 -9.531 1.994 20.085 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.117 4.394 19.080 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.912 3.887 17.355 1.00 10.00 S ATOM 0 H CYS A 102 -9.107 5.547 18.138 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.862 4.510 20.863 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -11.818 3.729 19.584 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.540 5.398 19.127 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.000 2.978 18.856 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.291 1.688 18.623 1.00 10.00 C ATOM 1493 C ILE A 103 -5.782 1.927 18.520 1.00 10.00 C ATOM 1494 O ILE A 103 -5.110 1.361 17.680 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.844 1.169 17.295 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -7.171 -0.159 16.945 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.563 2.190 16.191 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.220 -1.272 16.919 1.00 50.00 C ATOM 0 H ILE A 103 -7.576 3.793 18.412 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.445 0.977 19.435 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.920 1.018 17.385 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -6.680 -0.085 15.975 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -6.398 -0.391 17.677 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.957 1.820 15.244 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -8.044 3.136 16.439 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -6.487 2.342 16.101 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -7.740 -2.218 16.670 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -8.691 -1.351 17.899 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -8.977 -1.041 16.170 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.243 2.762 19.367 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.780 3.035 19.312 1.00 10.00 C ATOM 1512 C GLY A 104 -3.286 3.478 20.691 1.00 10.00 C ATOM 1513 O GLY A 104 -3.977 4.163 21.421 1.00 10.00 O ATOM 0 H GLY A 104 -5.752 3.266 20.093 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.245 2.140 18.994 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.572 3.810 18.574 1.00 10.00 H new ATOM 1517 N SER A 105 -2.091 3.094 21.051 1.00 10.00 N ATOM 1518 CA SER A 105 -1.546 3.494 22.380 1.00 10.00 C ATOM 1519 C SER A 105 -0.423 4.519 22.200 1.00 10.00 C ATOM 1520 O SER A 105 0.140 4.641 21.131 1.00 10.00 O ATOM 1521 CB SER A 105 -0.999 2.202 22.988 1.00 10.00 C ATOM 1522 OG SER A 105 -1.876 1.751 24.010 1.00 10.00 O ATOM 0 H SER A 105 -1.468 2.520 20.482 1.00 10.00 H new ATOM 0 HA SER A 105 -2.301 3.956 23.016 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.899 1.438 22.217 1.00 10.00 H new ATOM 0 HB3 SER A 105 -0.004 2.373 23.398 1.00 10.00 H new ATOM 0 HG SER A 105 -2.606 1.234 23.610 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.138 5.227 23.258 1.00 10.00 N ATOM 1529 CA PRO A 106 0.926 6.258 23.220 1.00 10.00 C ATOM 1530 C PRO A 106 2.309 5.603 23.202 1.00 10.00 C ATOM 1531 O PRO A 106 2.717 4.963 24.152 1.00 10.00 O ATOM 1532 CB PRO A 106 0.714 7.040 24.513 1.00 10.00 C ATOM 1533 CG PRO A 106 0.023 6.084 25.435 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.774 5.134 24.576 1.00 10.00 C ATOM 0 HA PRO A 106 0.878 6.888 22.332 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.663 7.376 24.931 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.109 7.930 24.341 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.749 5.540 26.039 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.630 6.619 26.125 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.737 4.117 24.966 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.825 5.421 24.533 1.00 10.00 H new ATOM 1542 N ALA A 107 3.037 5.758 22.130 1.00 10.00 N ATOM 1543 CA ALA A 107 4.394 5.146 22.056 1.00 10.00 C ATOM 1544 C ALA A 107 5.424 6.069 22.713 1.00 10.00 C ATOM 1545 O ALA A 107 6.616 5.850 22.622 1.00 10.00 O ATOM 1546 CB ALA A 107 4.685 4.998 20.563 1.00 50.00 C ATOM 0 H ALA A 107 2.751 6.282 21.303 1.00 10.00 H new ATOM 0 HA ALA A 107 4.443 4.189 22.576 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.670 4.553 20.427 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.931 4.357 20.107 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.662 5.979 20.089 1.00 50.00 H new ATOM 1552 N ALA A 108 4.973 7.101 23.373 1.00 10.00 N ATOM 1553 CA ALA A 108 5.926 8.040 24.034 1.00 10.00 C ATOM 1554 C ALA A 108 5.449 8.365 25.453 1.00 10.00 C ATOM 1555 O ALA A 108 4.266 8.437 25.720 1.00 10.00 O ATOM 1556 CB ALA A 108 5.913 9.295 23.162 1.00 50.00 C ATOM 0 H ALA A 108 3.986 7.335 23.483 1.00 10.00 H new ATOM 0 HA ALA A 108 6.927 7.618 24.125 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.592 10.037 23.582 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.235 9.040 22.152 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.903 9.704 23.128 1.00 50.00 H new ATOM 1562 N ASP A 109 6.362 8.564 26.365 1.00 50.00 N ATOM 1563 CA ASP A 109 5.962 8.884 27.765 1.00 50.00 C ATOM 1564 C ASP A 109 4.963 10.045 27.781 1.00 50.00 C ATOM 1565 O ASP A 109 3.770 9.847 27.893 1.00 50.00 O ATOM 1566 CB ASP A 109 7.261 9.283 28.465 1.00 50.00 C ATOM 1567 CG ASP A 109 7.768 8.111 29.306 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.328 7.984 30.437 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.590 7.360 28.806 1.00 50.00 O ATOM 0 H ASP A 109 7.368 8.519 26.201 1.00 50.00 H new ATOM 0 HA ASP A 109 5.475 8.043 28.257 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.012 9.567 27.727 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.092 10.153 29.099 1.00 50.00 H new ATOM 1574 N GLU A 110 5.441 11.255 27.670 1.00 10.00 N ATOM 1575 CA GLU A 110 4.516 12.427 27.679 1.00 10.00 C ATOM 1576 C GLU A 110 4.065 12.753 26.252 1.00 10.00 C ATOM 1577 O GLU A 110 4.867 13.048 25.389 1.00 10.00 O ATOM 1578 CB GLU A 110 5.337 13.577 28.261 1.00 10.00 C ATOM 1579 CG GLU A 110 4.473 14.379 29.237 1.00 10.00 C ATOM 1580 CD GLU A 110 4.339 15.819 28.736 1.00 50.00 C ATOM 1581 OE1 GLU A 110 4.331 16.007 27.531 1.00 50.00 O ATOM 1582 OE2 GLU A 110 4.247 16.707 29.567 1.00 50.00 O ATOM 0 H GLU A 110 6.430 11.483 27.574 1.00 10.00 H new ATOM 0 HA GLU A 110 3.614 12.238 28.261 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.216 13.187 28.773 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.695 14.224 27.460 1.00 10.00 H new ATOM 0 HG2 GLU A 110 3.488 13.921 29.328 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.922 14.369 30.230 1.00 10.00 H new ATOM 1589 N VAL A 111 2.785 12.703 25.997 1.00 10.00 N ATOM 1590 CA VAL A 111 2.285 13.007 24.626 1.00 10.00 C ATOM 1591 C VAL A 111 1.261 14.145 24.673 1.00 10.00 C ATOM 1592 O VAL A 111 0.598 14.356 25.670 1.00 10.00 O ATOM 1593 CB VAL A 111 1.624 11.713 24.149 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.147 11.886 22.706 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.635 10.568 24.220 1.00 12.50 C ATOM 0 H VAL A 111 2.065 12.465 26.679 1.00 10.00 H new ATOM 0 HA VAL A 111 3.085 13.328 23.959 1.00 10.00 H new ATOM 0 HB VAL A 111 0.771 11.483 24.788 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.676 10.964 22.366 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.426 12.702 22.657 1.00 12.50 H new ATOM 0 HG13 VAL A 111 1.999 12.116 22.066 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.164 9.645 23.880 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.489 10.796 23.582 1.00 12.50 H new ATOM 0 HG23 VAL A 111 2.974 10.445 25.249 1.00 12.50 H new ATOM 1605 N LYS A 112 1.124 14.876 23.602 1.00 10.00 N ATOM 1606 CA LYS A 112 0.140 15.995 23.582 1.00 10.00 C ATOM 1607 C LYS A 112 -0.793 15.852 22.377 1.00 10.00 C ATOM 1608 O LYS A 112 -0.385 15.430 21.311 1.00 10.00 O ATOM 1609 CB LYS A 112 0.983 17.265 23.461 1.00 25.00 C ATOM 1610 CG LYS A 112 1.720 17.514 24.779 1.00 25.00 C ATOM 1611 CD LYS A 112 2.850 18.519 24.548 1.00 25.00 C ATOM 1612 CE LYS A 112 2.363 19.923 24.907 1.00 25.00 C ATOM 1613 NZ LYS A 112 3.289 20.843 24.190 1.00 25.00 N ATOM 0 H LYS A 112 1.651 14.747 22.739 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.489 16.009 24.472 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.699 17.163 22.645 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.346 18.116 23.222 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.027 17.895 25.529 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.124 16.578 25.165 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.715 18.256 25.156 1.00 25.00 H new ATOM 0 HD3 LYS A 112 3.171 18.489 23.507 1.00 25.00 H new ATOM 0 HE2 LYS A 112 1.331 20.076 24.592 1.00 25.00 H new ATOM 0 HE3 LYS A 112 2.395 20.089 25.984 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 3.020 21.828 24.386 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.263 20.678 24.516 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.231 20.666 23.167 1.00 25.00 H new ATOM 1627 N ILE A 113 -2.041 16.196 22.535 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.999 16.075 21.398 1.00 10.00 C ATOM 1629 C ILE A 113 -4.226 16.960 21.630 1.00 10.00 C ATOM 1630 O ILE A 113 -4.643 17.182 22.750 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.400 14.601 21.377 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.394 14.358 20.239 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -4.051 14.234 22.710 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.883 13.225 19.348 1.00 10.00 C ATOM 0 H ILE A 113 -2.440 16.556 23.402 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.557 16.395 20.455 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.514 13.985 21.222 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.373 14.102 20.645 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.520 15.268 19.652 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.338 13.183 22.697 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.343 14.407 23.521 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.937 14.850 22.864 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.591 13.052 18.538 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.914 13.499 18.931 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.779 12.315 19.940 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.814 17.457 20.577 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.022 18.317 20.731 1.00 10.00 C ATOM 1648 C VAL A 114 -7.278 17.485 20.461 1.00 10.00 C ATOM 1649 O VAL A 114 -7.409 16.861 19.427 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.864 19.417 19.681 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.143 20.252 19.618 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.689 20.319 20.063 1.00 50.00 C ATOM 0 H VAL A 114 -4.510 17.305 19.615 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.119 18.733 21.734 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.677 18.964 18.707 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.029 21.036 18.869 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.983 19.612 19.348 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.330 20.705 20.592 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.575 21.104 19.315 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.878 20.770 21.037 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.775 19.726 20.109 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.198 17.460 21.385 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.435 16.655 21.180 1.00 10.00 C ATOM 1664 C TYR A 115 -10.497 17.493 20.447 1.00 10.00 C ATOM 1665 O TYR A 115 -10.281 18.647 20.133 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.875 16.255 22.602 1.00 50.00 C ATOM 1667 CG TYR A 115 -11.035 17.104 23.066 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.814 18.400 23.545 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.332 16.593 23.001 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.894 19.187 23.957 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.415 17.379 23.416 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.196 18.677 23.892 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.262 19.454 24.297 1.00 50.00 O ATOM 0 H TYR A 115 -8.147 17.961 22.272 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.280 15.774 20.557 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.160 15.203 22.616 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -9.038 16.368 23.291 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.809 18.793 23.597 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.501 15.592 22.631 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.724 20.188 24.325 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.419 16.983 23.369 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.837 19.647 23.527 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.641 16.921 20.172 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.706 17.685 19.459 1.00 10.00 C ATOM 1685 C ASN A 116 -12.217 18.110 18.072 1.00 10.00 C ATOM 1686 O ASN A 116 -12.649 19.109 17.532 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.972 18.912 20.331 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.461 18.974 20.681 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.821 19.138 21.830 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.347 18.846 19.732 1.00 10.00 N ATOM 0 H ASN A 116 -11.883 15.959 20.410 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.607 17.089 19.310 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.375 18.861 21.242 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.673 19.818 19.804 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.342 18.884 19.955 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -15.045 18.708 18.768 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.322 17.360 17.489 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.812 17.725 16.136 1.00 10.00 C ATOM 1699 C ALA A 117 -11.952 17.682 15.118 1.00 10.00 C ATOM 1700 O ALA A 117 -11.836 18.193 14.021 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.755 16.670 15.809 1.00 50.00 C ATOM 0 H ALA A 117 -10.922 16.512 17.890 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.397 18.733 16.107 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.332 16.872 14.825 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -8.964 16.703 16.558 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.215 15.682 15.811 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.058 17.086 15.472 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.202 17.026 14.521 1.00 12.50 C ATOM 1709 C LYS A 118 -14.605 18.446 14.119 1.00 12.50 C ATOM 1710 O LYS A 118 -15.272 18.658 13.126 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.331 16.342 15.293 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.780 17.239 16.448 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.145 16.770 16.955 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.206 17.816 16.608 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.993 17.992 17.862 1.00 50.00 N ATOM 0 H LYS A 118 -13.218 16.640 16.375 1.00 12.50 H new ATOM 0 HA LYS A 118 -13.960 16.485 13.606 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.171 16.141 14.628 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -14.992 15.380 15.677 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.048 17.204 17.255 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.840 18.275 16.116 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.403 15.812 16.504 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.111 16.615 18.033 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.748 18.754 16.293 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.840 17.479 15.787 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.743 18.696 17.706 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.195 19.421 14.884 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.542 20.830 14.551 1.00 50.00 C ATOM 1728 C HIS A 119 -13.918 21.218 13.209 1.00 50.00 C ATOM 1729 O HIS A 119 -14.498 21.947 12.430 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.940 21.664 15.683 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.842 21.607 16.885 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.131 22.115 16.864 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.656 21.106 18.151 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.667 21.911 18.081 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.811 21.300 18.904 1.00 50.00 N ATOM 0 H HIS A 119 -13.633 19.301 15.727 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.617 20.983 14.461 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.950 21.286 15.940 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.813 22.697 15.360 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.590 22.562 16.070 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.752 20.634 18.507 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.668 22.206 18.359 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.736 20.732 12.933 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.072 21.070 11.641 1.00 12.50 C ATOM 1745 C LEU A 120 -13.086 21.020 10.494 1.00 12.50 C ATOM 1746 O LEU A 120 -14.063 20.301 10.547 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.000 19.996 11.454 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.640 20.663 11.250 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.897 20.728 12.586 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.819 19.848 10.248 1.00 12.50 C ATOM 0 H LEU A 120 -12.203 20.116 13.547 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.648 22.074 11.646 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -10.969 19.342 12.326 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.243 19.371 10.595 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.784 21.673 10.866 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.927 21.204 12.440 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.482 21.308 13.300 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.752 19.719 12.971 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.849 20.322 10.101 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.675 18.838 10.632 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.348 19.802 9.296 1.00 12.50 H new ATOM 1762 N ASP A 121 -12.859 21.778 9.455 1.00 50.00 N ATOM 1763 CA ASP A 121 -13.808 21.772 8.306 1.00 50.00 C ATOM 1764 C ASP A 121 -13.671 20.469 7.513 1.00 50.00 C ATOM 1765 O ASP A 121 -14.642 19.913 7.041 1.00 50.00 O ATOM 1766 CB ASP A 121 -13.396 22.968 7.446 1.00 50.00 C ATOM 1767 CG ASP A 121 -14.645 23.731 7.004 1.00 50.00 C ATOM 1768 OD1 ASP A 121 -15.485 23.994 7.849 1.00 50.00 O ATOM 1769 OD2 ASP A 121 -14.740 24.041 5.827 1.00 50.00 O ATOM 0 H ASP A 121 -12.058 22.401 9.353 1.00 50.00 H new ATOM 0 HA ASP A 121 -14.847 21.840 8.628 1.00 50.00 H new ATOM 0 HB2 ASP A 121 -12.736 23.626 8.011 1.00 50.00 H new ATOM 0 HB3 ASP A 121 -12.837 22.628 6.574 1.00 50.00 H new ATOM 1774 N TYR A 122 -12.471 19.979 7.364 1.00 16.66 N ATOM 1775 CA TYR A 122 -12.271 18.712 6.604 1.00 16.66 C ATOM 1776 C TYR A 122 -12.825 17.527 7.398 1.00 16.66 C ATOM 1777 O TYR A 122 -12.844 16.407 6.928 1.00 16.66 O ATOM 1778 CB TYR A 122 -10.755 18.587 6.439 1.00 16.66 C ATOM 1779 CG TYR A 122 -10.442 17.847 5.161 1.00 16.66 C ATOM 1780 CD1 TYR A 122 -10.527 18.509 3.930 1.00 16.66 C ATOM 1781 CD2 TYR A 122 -10.065 16.501 5.206 1.00 16.66 C ATOM 1782 CE1 TYR A 122 -10.233 17.824 2.744 1.00 16.66 C ATOM 1783 CE2 TYR A 122 -9.771 15.815 4.021 1.00 16.66 C ATOM 1784 CZ TYR A 122 -9.856 16.477 2.790 1.00 16.66 C ATOM 1785 OH TYR A 122 -9.565 15.801 1.623 1.00 16.66 O ATOM 0 H TYR A 122 -11.620 20.401 7.736 1.00 16.66 H new ATOM 0 HA TYR A 122 -12.787 18.719 5.644 1.00 16.66 H new ATOM 0 HB2 TYR A 122 -10.299 19.577 6.419 1.00 16.66 H new ATOM 0 HB3 TYR A 122 -10.329 18.057 7.291 1.00 16.66 H new ATOM 0 HD1 TYR A 122 -10.819 19.548 3.895 1.00 16.66 H new ATOM 0 HD2 TYR A 122 -10.001 15.990 6.155 1.00 16.66 H new ATOM 0 HE1 TYR A 122 -10.297 18.335 1.795 1.00 16.66 H new ATOM 0 HE2 TYR A 122 -9.479 14.776 4.057 1.00 16.66 H new ATOM 0 HH TYR A 122 -9.320 14.876 1.833 1.00 16.66 H new ATOM 1795 N LEU A 123 -13.274 17.764 8.601 1.00 50.00 N ATOM 1796 CA LEU A 123 -13.825 16.650 9.426 1.00 50.00 C ATOM 1797 C LEU A 123 -15.282 16.935 9.801 1.00 50.00 C ATOM 1798 O LEU A 123 -16.114 16.049 9.810 1.00 50.00 O ATOM 1799 CB LEU A 123 -12.949 16.617 10.679 1.00 50.00 C ATOM 1800 CG LEU A 123 -12.167 15.303 10.724 1.00 50.00 C ATOM 1801 CD1 LEU A 123 -10.696 15.576 10.402 1.00 50.00 C ATOM 1802 CD2 LEU A 123 -12.278 14.692 12.122 1.00 50.00 C ATOM 0 H LEU A 123 -13.283 18.681 9.048 1.00 50.00 H new ATOM 0 HA LEU A 123 -13.815 15.699 8.893 1.00 50.00 H new ATOM 0 HB2 LEU A 123 -12.260 17.462 10.676 1.00 50.00 H new ATOM 0 HB3 LEU A 123 -13.568 16.714 11.571 1.00 50.00 H new ATOM 0 HG LEU A 123 -12.578 14.609 9.991 1.00 50.00 H new ATOM 0 HD11 LEU A 123 -10.137 14.641 10.434 1.00 50.00 H new ATOM 0 HD12 LEU A 123 -10.616 16.013 9.407 1.00 50.00 H new ATOM 0 HD13 LEU A 123 -10.285 16.269 11.136 1.00 50.00 H new ATOM 0 HD21 LEU A 123 -11.721 13.756 12.155 1.00 50.00 H new ATOM 0 HD22 LEU A 123 -11.866 15.385 12.856 1.00 50.00 H new ATOM 0 HD23 LEU A 123 -13.326 14.499 12.353 1.00 50.00 H new ATOM 1814 N GLN A 124 -15.596 18.162 10.117 1.00 50.00 N ATOM 1815 CA GLN A 124 -16.998 18.498 10.496 1.00 50.00 C ATOM 1816 C GLN A 124 -17.947 18.231 9.325 1.00 50.00 C ATOM 1817 O GLN A 124 -19.122 17.987 9.510 1.00 50.00 O ATOM 1818 CB GLN A 124 -16.972 19.988 10.836 1.00 50.00 C ATOM 1819 CG GLN A 124 -18.181 20.330 11.708 1.00 50.00 C ATOM 1820 CD GLN A 124 -17.801 21.430 12.702 1.00 50.00 C ATOM 1821 OE1 GLN A 124 -17.394 22.505 12.309 1.00 50.00 O ATOM 1822 NE2 GLN A 124 -17.919 21.204 13.981 1.00 50.00 N ATOM 0 H GLN A 124 -14.943 18.946 10.129 1.00 50.00 H new ATOM 0 HA GLN A 124 -17.352 17.895 11.332 1.00 50.00 H new ATOM 0 HB2 GLN A 124 -16.049 20.237 11.360 1.00 50.00 H new ATOM 0 HB3 GLN A 124 -16.989 20.581 9.922 1.00 50.00 H new ATOM 0 HG2 GLN A 124 -19.011 20.661 11.083 1.00 50.00 H new ATOM 0 HG3 GLN A 124 -18.519 19.443 12.243 1.00 50.00 H new ATOM 0 HE21 GLN A 124 -18.261 20.301 14.310 1.00 50.00 H new ATOM 0 HE22 GLN A 124 -17.669 21.930 14.652 1.00 50.00 H new ATOM 1831 N ASN A 125 -17.447 18.276 8.120 1.00 50.00 N ATOM 1832 CA ASN A 125 -18.324 18.024 6.942 1.00 50.00 C ATOM 1833 C ASN A 125 -19.052 16.686 7.103 1.00 50.00 C ATOM 1834 O ASN A 125 -20.098 16.463 6.525 1.00 50.00 O ATOM 1835 CB ASN A 125 -17.374 17.976 5.744 1.00 50.00 C ATOM 1836 CG ASN A 125 -18.183 18.031 4.447 1.00 50.00 C ATOM 1837 OD1 ASN A 125 -19.358 18.341 4.462 1.00 50.00 O ATOM 1838 ND2 ASN A 125 -17.599 17.742 3.317 1.00 50.00 N ATOM 0 H ASN A 125 -16.471 18.476 7.901 1.00 50.00 H new ATOM 0 HA ASN A 125 -19.089 18.791 6.825 1.00 50.00 H new ATOM 0 HB2 ASN A 125 -16.677 18.813 5.786 1.00 50.00 H new ATOM 0 HB3 ASN A 125 -16.779 17.063 5.775 1.00 50.00 H new ATOM 0 HD21 ASN A 125 -18.129 17.776 2.446 1.00 50.00 H new ATOM 0 HD22 ASN A 125 -16.613 17.482 3.305 1.00 50.00 H new ATOM 1845 N ARG A 126 -18.506 15.796 7.885 1.00 50.00 N ATOM 1846 CA ARG A 126 -19.165 14.473 8.084 1.00 50.00 C ATOM 1847 C ARG A 126 -20.657 14.662 8.368 1.00 50.00 C ATOM 1848 O ARG A 126 -21.479 13.849 7.993 1.00 50.00 O ATOM 1849 CB ARG A 126 -18.462 13.859 9.295 1.00 50.00 C ATOM 1850 CG ARG A 126 -17.720 12.591 8.867 1.00 50.00 C ATOM 1851 CD ARG A 126 -16.776 12.147 9.989 1.00 50.00 C ATOM 1852 NE ARG A 126 -15.459 11.946 9.322 1.00 50.00 N ATOM 1853 CZ ARG A 126 -14.755 10.876 9.575 1.00 50.00 C ATOM 1854 NH1 ARG A 126 -15.281 9.694 9.404 1.00 50.00 N ATOM 1855 NH2 ARG A 126 -13.526 10.989 9.999 1.00 50.00 N ATOM 0 H ARG A 126 -17.632 15.927 8.395 1.00 50.00 H new ATOM 0 HA ARG A 126 -19.089 13.837 7.202 1.00 50.00 H new ATOM 0 HB2 ARG A 126 -17.762 14.576 9.724 1.00 50.00 H new ATOM 0 HB3 ARG A 126 -19.191 13.622 10.070 1.00 50.00 H new ATOM 0 HG2 ARG A 126 -18.433 11.798 8.642 1.00 50.00 H new ATOM 0 HG3 ARG A 126 -17.154 12.779 7.954 1.00 50.00 H new ATOM 0 HD2 ARG A 126 -16.711 12.902 10.773 1.00 50.00 H new ATOM 0 HD3 ARG A 126 -17.125 11.228 10.459 1.00 50.00 H new ATOM 0 HE ARG A 126 -15.107 12.645 8.667 1.00 50.00 H new ATOM 0 HH11 ARG A 126 -16.242 9.606 9.073 1.00 50.00 H new ATOM 0 HH12 ARG A 126 -14.731 8.858 9.602 1.00 50.00 H new ATOM 0 HH21 ARG A 126 -13.116 11.913 10.133 1.00 50.00 H new ATOM 0 HH22 ARG A 126 -12.976 10.153 10.197 1.00 50.00 H new ATOM 1869 N VAL A 127 -21.014 15.729 9.030 1.00 50.00 N ATOM 1870 CA VAL A 127 -22.453 15.968 9.338 1.00 50.00 C ATOM 1871 C VAL A 127 -23.222 16.311 8.059 1.00 50.00 C ATOM 1872 O VAL A 127 -22.769 17.085 7.240 1.00 50.00 O ATOM 1873 CB VAL A 127 -22.459 17.154 10.302 1.00 50.00 C ATOM 1874 CG1 VAL A 127 -23.857 17.314 10.903 1.00 50.00 C ATOM 1875 CG2 VAL A 127 -21.446 16.905 11.421 1.00 50.00 C ATOM 0 H VAL A 127 -20.372 16.445 9.371 1.00 50.00 H new ATOM 0 HA VAL A 127 -22.933 15.089 9.768 1.00 50.00 H new ATOM 0 HB VAL A 127 -22.189 18.063 9.764 1.00 50.00 H new ATOM 0 HG11 VAL A 127 -23.863 18.160 11.591 1.00 50.00 H new ATOM 0 HG12 VAL A 127 -24.578 17.491 10.105 1.00 50.00 H new ATOM 0 HG13 VAL A 127 -24.127 16.406 11.442 1.00 50.00 H new ATOM 0 HG21 VAL A 127 -21.449 17.750 12.109 1.00 50.00 H new ATOM 0 HG22 VAL A 127 -21.715 15.997 11.960 1.00 50.00 H new ATOM 0 HG23 VAL A 127 -20.451 16.790 10.992 1.00 50.00 H new ATOM 1885 N ILE A 128 -24.382 15.740 7.882 1.00 50.00 N ATOM 1886 CA ILE A 128 -25.179 16.036 6.657 1.00 50.00 C ATOM 1887 C ILE A 128 -25.914 17.369 6.813 1.00 50.00 C ATOM 1888 O ILE A 128 -25.262 18.396 6.718 1.00 50.00 O ATOM 1889 CB ILE A 128 -26.178 14.882 6.543 1.00 50.00 C ATOM 1890 CG1 ILE A 128 -26.928 14.721 7.867 1.00 50.00 C ATOM 1891 CG2 ILE A 128 -25.428 13.588 6.220 1.00 50.00 C ATOM 1892 CD1 ILE A 128 -28.426 14.579 7.590 1.00 50.00 C ATOM 1893 OXT ILE A 128 -27.115 17.341 7.027 1.00 50.00 O ATOM 0 H ILE A 128 -24.812 15.082 8.532 1.00 50.00 H new ATOM 0 HA ILE A 128 -24.553 16.121 5.769 1.00 50.00 H new ATOM 0 HB ILE A 128 -26.891 15.097 5.747 1.00 50.00 H new ATOM 0 HG12 ILE A 128 -26.561 13.844 8.401 1.00 50.00 H new ATOM 0 HG13 ILE A 128 -26.746 15.584 8.508 1.00 50.00 H new ATOM 0 HG21 ILE A 128 -26.139 12.766 6.139 1.00 50.00 H new ATOM 0 HG22 ILE A 128 -24.896 13.702 5.276 1.00 50.00 H new ATOM 0 HG23 ILE A 128 -24.714 13.373 7.015 1.00 50.00 H new ATOM 0 HD11 ILE A 128 -28.961 14.464 8.533 1.00 50.00 H new ATOM 0 HD12 ILE A 128 -28.787 15.469 7.074 1.00 50.00 H new ATOM 0 HD13 ILE A 128 -28.599 13.703 6.966 1.00 50.00 H new TER 1905 ILE A 128 HETATM 1906 C ACE A 129 -19.390 19.212 18.095 1.00 0.00 C HETATM 1907 O ACE A 129 -18.796 20.167 17.637 1.00 0.00 O HETATM 1908 CH3 ACE A 129 -20.636 19.395 18.965 1.00 0.00 C HETATM 0 H1 ACE A 129 -21.485 18.899 18.494 1.00 0.00 H new HETATM 0 H2 ACE A 129 -20.460 18.959 19.948 1.00 0.00 H new HETATM 0 H3 ACE A 129 -20.852 20.458 19.073 1.00 0.00 H new HETATM 1912 FE1 FES A 130 -14.684 4.311 15.211 1.00 0.00 FE HETATM 1913 FE2 FES A 130 -12.279 5.049 16.083 1.00 0.00 FE HETATM 1914 S1 FES A 130 -12.718 3.916 14.189 1.00 0.00 S HETATM 1915 S2 FES A 130 -14.235 5.364 17.147 1.00 0.00 S