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 HZ2 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD Set 1.1: A 115 TYR OH : rot -65:sc= 0.905 USER MOD Set 1.2: A 116 ASN : amide:sc= -2.85 K(o=-7.1,f=-13!) USER MOD Set 1.3: A 119 HIS : no HE2:sc= -5.18! C(o=-7.1!,f=-11!) USER MOD Set 2.1: A 73 SER OG : rot 115:sc= 1.69 USER MOD Set 2.2: A 101 THR OG1 : rot 115:sc= 0.77 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.294 K(o=0.26,f=-8!) USER MOD Set 3.2: A 57 TYR OH : rot 151:sc= 0.549 USER MOD Set 4.1: A 7 ASN : amide:sc= -7.79! C(o=-9.2!,f=-20!) USER MOD Set 4.2: A 10 THR OG1 : rot 149:sc= -1.43! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 68:sc= -0.753! USER MOD Single : A 8 TYR OH : rot -132:sc= 1.28 USER MOD Single : A 14 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.22) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 34:sc= 0.941 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 137:sc= -4.8! (180deg=-11.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0.0487 (180deg=0.0435) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 164:sc= 0 (180deg=-0.262) USER MOD Single : A 85 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.094) USER MOD Single : A 86 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.7!) USER MOD Single : A 89 SER OG : rot -178:sc= -0.616 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0.0812 (180deg=0.0792) 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 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.020 7.296 30.105 1.00 3.92 N ATOM 2 CA PRO A 1 3.096 7.593 28.977 1.00 3.44 C ATOM 3 C PRO A 1 2.079 8.664 29.386 1.00 3.50 C ATOM 4 O PRO A 1 0.930 8.375 29.651 1.00 4.94 O ATOM 5 CB PRO A 1 2.404 6.261 28.709 1.00 2.00 C ATOM 6 CG PRO A 1 2.488 5.519 30.002 1.00 4.99 C ATOM 7 CD PRO A 1 3.744 5.981 30.692 1.00 3.38 C ATOM 0 H2 PRO A 1 3.927 8.016 30.821 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.984 7.327 29.774 1.00 3.92 H new ATOM 0 HA PRO A 1 3.610 7.981 28.098 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.368 6.408 28.404 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.898 5.713 27.906 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.612 5.719 30.620 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.516 4.443 29.829 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.603 6.049 31.771 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.569 5.289 30.522 1.00 3.38 H new ATOM 17 N THR A 2 2.497 9.900 29.435 1.00 3.08 N ATOM 18 CA THR A 2 1.557 10.994 29.824 1.00 2.08 C ATOM 19 C THR A 2 1.143 11.795 28.588 1.00 2.52 C ATOM 20 O THR A 2 1.962 12.405 27.930 1.00 2.28 O ATOM 21 CB THR A 2 2.353 11.872 30.791 1.00 3.47 C ATOM 22 OG1 THR A 2 2.450 11.220 32.048 1.00 3.73 O ATOM 23 CG2 THR A 2 1.646 13.218 30.965 1.00 3.09 C ATOM 0 H THR A 2 3.448 10.201 29.223 1.00 3.08 H new ATOM 0 HA THR A 2 0.642 10.614 30.278 1.00 2.08 H new ATOM 0 HB THR A 2 3.352 12.040 30.390 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.961 11.780 32.669 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.215 13.842 31.654 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.573 13.718 29.999 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.646 13.054 31.365 1.00 3.09 H new ATOM 31 N VAL A 3 -0.121 11.801 28.266 1.00 10.00 N ATOM 32 CA VAL A 3 -0.582 12.566 27.073 1.00 10.00 C ATOM 33 C VAL A 3 -1.285 13.854 27.511 1.00 10.00 C ATOM 34 O VAL A 3 -1.620 14.028 28.666 1.00 10.00 O ATOM 35 CB VAL A 3 -1.557 11.630 26.358 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.383 12.429 25.349 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.772 10.540 25.625 1.00 10.00 C ATOM 0 H VAL A 3 -0.854 11.310 28.777 1.00 10.00 H new ATOM 0 HA VAL A 3 0.242 12.864 26.425 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.222 11.170 27.089 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -3.078 11.762 24.839 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.942 13.206 25.870 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.718 12.889 24.618 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.466 9.872 25.115 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.107 11.000 24.894 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.183 9.971 26.344 1.00 10.00 H new ATOM 47 N GLU A 4 -1.506 14.762 26.599 1.00 10.00 N ATOM 48 CA GLU A 4 -2.184 16.040 26.964 1.00 10.00 C ATOM 49 C GLU A 4 -3.271 16.373 25.940 1.00 10.00 C ATOM 50 O GLU A 4 -2.990 16.635 24.787 1.00 10.00 O ATOM 51 CB GLU A 4 -1.076 17.096 26.930 1.00 50.00 C ATOM 52 CG GLU A 4 -1.322 18.131 28.031 1.00 50.00 C ATOM 53 CD GLU A 4 -0.049 18.952 28.251 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.395 19.585 27.308 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.460 18.933 29.361 1.00 50.00 O ATOM 0 H GLU A 4 -1.246 14.674 25.616 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.671 15.987 27.938 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.104 16.623 27.071 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.054 17.584 25.956 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.147 18.786 27.751 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.611 17.632 28.956 1.00 50.00 H new ATOM 62 N TYR A 5 -4.512 16.367 26.349 1.00 10.00 N ATOM 63 CA TYR A 5 -5.608 16.685 25.389 1.00 10.00 C ATOM 64 C TYR A 5 -5.972 18.170 25.464 1.00 10.00 C ATOM 65 O TYR A 5 -6.059 18.748 26.532 1.00 10.00 O ATOM 66 CB TYR A 5 -6.789 15.816 25.824 1.00 10.00 C ATOM 67 CG TYR A 5 -7.262 16.243 27.194 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.128 17.334 27.327 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.839 15.542 28.330 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.572 17.724 28.598 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.282 15.932 29.599 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.149 17.024 29.733 1.00 50.00 C ATOM 73 OH TYR A 5 -8.588 17.407 30.984 1.00 50.00 O ATOM 0 H TYR A 5 -4.813 16.157 27.301 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.318 16.486 24.357 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.603 15.905 25.104 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.493 14.767 25.842 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.454 17.875 26.451 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.171 14.700 28.227 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.241 18.565 28.701 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.955 15.391 30.475 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.549 17.232 31.061 1.00 50.00 H new ATOM 83 N LEU A 6 -6.182 18.789 24.334 1.00 10.00 N ATOM 84 CA LEU A 6 -6.538 20.237 24.322 1.00 10.00 C ATOM 85 C LEU A 6 -7.713 20.485 23.372 1.00 10.00 C ATOM 86 O LEU A 6 -7.620 20.252 22.183 1.00 10.00 O ATOM 87 CB LEU A 6 -5.283 20.940 23.806 1.00 12.50 C ATOM 88 CG LEU A 6 -5.115 22.290 24.508 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.000 23.082 23.822 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.423 23.078 24.426 1.00 50.00 C ATOM 0 H LEU A 6 -6.122 18.352 23.414 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.841 20.598 25.305 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.407 20.316 23.984 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.355 21.087 22.728 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.858 22.125 25.554 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.878 24.044 24.320 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -3.067 22.522 23.881 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.260 23.245 22.776 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.301 24.039 24.926 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.683 23.244 23.381 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -7.219 22.514 24.913 1.00 50.00 H new ATOM 102 N ASN A 7 -8.816 20.960 23.883 1.00 10.00 N ATOM 103 CA ASN A 7 -9.986 21.227 23.001 1.00 10.00 C ATOM 104 C ASN A 7 -9.581 22.186 21.879 1.00 10.00 C ATOM 105 O ASN A 7 -9.118 23.282 22.124 1.00 10.00 O ATOM 106 CB ASN A 7 -11.028 21.875 23.911 1.00 10.00 C ATOM 107 CG ASN A 7 -10.503 23.220 24.414 1.00 10.00 C ATOM 108 OD1 ASN A 7 -9.310 23.443 24.454 1.00 12.50 O ATOM 109 ND2 ASN A 7 -11.350 24.134 24.801 1.00 12.50 N ATOM 0 H ASN A 7 -8.957 21.174 24.870 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.368 20.322 22.529 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.962 22.018 23.367 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -11.247 21.220 24.754 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -11.010 25.035 25.137 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.352 23.947 24.768 1.00 12.50 H new ATOM 116 N TYR A 8 -9.749 21.785 20.650 1.00 50.00 N ATOM 117 CA TYR A 8 -9.369 22.677 19.519 1.00 50.00 C ATOM 118 C TYR A 8 -10.100 24.015 19.642 1.00 50.00 C ATOM 119 O TYR A 8 -9.711 25.004 19.054 1.00 50.00 O ATOM 120 CB TYR A 8 -9.809 21.929 18.258 1.00 50.00 C ATOM 121 CG TYR A 8 -9.898 22.892 17.097 1.00 50.00 C ATOM 122 CD1 TYR A 8 -8.779 23.122 16.288 1.00 50.00 C ATOM 123 CD2 TYR A 8 -11.102 23.551 16.832 1.00 50.00 C ATOM 124 CE1 TYR A 8 -8.866 24.011 15.210 1.00 50.00 C ATOM 125 CE2 TYR A 8 -11.190 24.442 15.755 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.072 24.671 14.944 1.00 50.00 C ATOM 127 OH TYR A 8 -10.158 25.548 13.881 1.00 50.00 O ATOM 0 H TYR A 8 -10.133 20.879 20.380 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.302 22.899 19.502 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.099 21.134 18.029 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.776 21.455 18.424 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -7.849 22.614 16.495 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -11.964 23.373 17.458 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -8.004 24.188 14.584 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -12.120 24.952 15.550 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.575 26.383 14.179 1.00 50.00 H new ATOM 137 N GLU A 9 -11.157 24.054 20.405 1.00 25.00 N ATOM 138 CA GLU A 9 -11.908 25.332 20.567 1.00 25.00 C ATOM 139 C GLU A 9 -11.026 26.373 21.258 1.00 25.00 C ATOM 140 O GLU A 9 -10.998 27.527 20.878 1.00 25.00 O ATOM 141 CB GLU A 9 -13.112 24.983 21.441 1.00 50.00 C ATOM 142 CG GLU A 9 -14.221 26.010 21.206 1.00 50.00 C ATOM 143 CD GLU A 9 -15.505 25.545 21.895 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.422 24.639 22.709 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.550 26.100 21.597 1.00 50.00 O ATOM 0 H GLU A 9 -11.533 23.259 20.922 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.214 25.755 19.610 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.471 23.982 21.203 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -12.823 24.976 22.492 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -13.919 26.982 21.596 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.394 26.135 20.137 1.00 50.00 H new ATOM 152 N THR A 10 -10.301 25.973 22.266 1.00 50.00 N ATOM 153 CA THR A 10 -9.418 26.938 22.979 1.00 50.00 C ATOM 154 C THR A 10 -8.438 27.569 21.988 1.00 50.00 C ATOM 155 O THR A 10 -8.063 28.718 22.114 1.00 50.00 O ATOM 156 CB THR A 10 -8.672 26.100 24.017 1.00 50.00 C ATOM 157 OG1 THR A 10 -9.546 25.803 25.097 1.00 50.00 O ATOM 158 CG2 THR A 10 -7.464 26.880 24.536 1.00 50.00 C ATOM 0 H THR A 10 -10.282 25.019 22.627 1.00 50.00 H new ATOM 0 HA THR A 10 -9.975 27.752 23.444 1.00 50.00 H new ATOM 0 HB THR A 10 -8.330 25.172 23.558 1.00 50.00 H new ATOM 0 HG1 THR A 10 -9.306 24.935 25.483 1.00 50.00 H new ATOM 0 HG21 THR A 10 -6.934 26.280 25.276 1.00 50.00 H new ATOM 0 HG22 THR A 10 -6.794 27.108 23.707 1.00 50.00 H new ATOM 0 HG23 THR A 10 -7.801 27.809 24.996 1.00 50.00 H new ATOM 166 N LEU A 11 -8.025 26.826 20.998 1.00 50.00 N ATOM 167 CA LEU A 11 -7.074 27.381 19.995 1.00 50.00 C ATOM 168 C LEU A 11 -7.786 28.412 19.115 1.00 50.00 C ATOM 169 O LEU A 11 -7.295 29.503 18.900 1.00 50.00 O ATOM 170 CB LEU A 11 -6.629 26.179 19.163 1.00 50.00 C ATOM 171 CG LEU A 11 -5.630 26.637 18.098 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.368 27.171 18.779 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.262 25.452 17.201 1.00 50.00 C ATOM 0 H LEU A 11 -8.305 25.858 20.841 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.228 27.887 20.459 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.172 25.427 19.806 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.492 25.711 18.690 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.079 27.425 17.494 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -3.656 27.497 18.021 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -4.629 28.014 19.419 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -3.919 26.382 19.383 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.550 25.777 16.442 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.813 24.664 17.805 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.160 25.070 16.716 1.00 50.00 H new ATOM 185 N ASP A 12 -8.942 28.077 18.609 1.00 50.00 N ATOM 186 CA ASP A 12 -9.686 29.040 17.749 1.00 50.00 C ATOM 187 C ASP A 12 -10.379 30.091 18.620 1.00 50.00 C ATOM 188 O ASP A 12 -10.184 31.278 18.451 1.00 50.00 O ATOM 189 CB ASP A 12 -10.718 28.193 17.006 1.00 50.00 C ATOM 190 CG ASP A 12 -10.659 28.513 15.511 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.972 29.457 15.154 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.301 27.810 14.748 1.00 50.00 O ATOM 0 H ASP A 12 -9.403 27.179 18.754 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.031 29.575 17.062 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.521 27.134 17.170 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.717 28.395 17.393 1.00 50.00 H new ATOM 197 N ASP A 13 -11.184 29.662 19.553 1.00 50.00 N ATOM 198 CA ASP A 13 -11.885 30.637 20.436 1.00 50.00 C ATOM 199 C ASP A 13 -10.876 31.624 21.030 1.00 50.00 C ATOM 200 O ASP A 13 -11.066 32.824 20.985 1.00 50.00 O ATOM 201 CB ASP A 13 -12.518 29.788 21.539 1.00 50.00 C ATOM 202 CG ASP A 13 -13.644 30.577 22.210 1.00 50.00 C ATOM 203 OD1 ASP A 13 -13.469 31.767 22.412 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.663 29.977 22.511 1.00 50.00 O ATOM 0 H ASP A 13 -11.386 28.680 19.742 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.629 31.225 19.898 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.909 28.861 21.119 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.765 29.511 22.276 1.00 50.00 H new ATOM 209 N GLN A 14 -9.806 31.126 21.584 1.00 50.00 N ATOM 210 CA GLN A 14 -8.781 32.032 22.179 1.00 50.00 C ATOM 211 C GLN A 14 -7.878 32.601 21.082 1.00 50.00 C ATOM 212 O GLN A 14 -7.297 33.658 21.229 1.00 50.00 O ATOM 213 CB GLN A 14 -7.976 31.146 23.130 1.00 50.00 C ATOM 214 CG GLN A 14 -7.474 31.984 24.306 1.00 50.00 C ATOM 215 CD GLN A 14 -8.612 32.181 25.311 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.320 33.166 25.260 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.816 31.277 26.230 1.00 50.00 N ATOM 0 H GLN A 14 -9.596 30.130 21.651 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.229 32.882 22.694 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.596 30.326 23.492 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.133 30.699 22.602 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.631 31.488 24.787 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.115 32.950 23.952 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.221 30.450 26.272 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.570 31.398 26.906 1.00 50.00 H new ATOM 226 N GLY A 15 -7.757 31.909 19.982 1.00 50.00 N ATOM 227 CA GLY A 15 -6.892 32.412 18.877 1.00 50.00 C ATOM 228 C GLY A 15 -5.423 32.329 19.299 1.00 50.00 C ATOM 229 O GLY A 15 -4.665 33.261 19.124 1.00 50.00 O ATOM 0 H GLY A 15 -8.219 31.018 19.801 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.056 31.822 17.975 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.154 33.442 18.636 1.00 50.00 H new ATOM 233 N TRP A 16 -5.013 31.219 19.849 1.00 50.00 N ATOM 234 CA TRP A 16 -3.590 31.083 20.276 1.00 50.00 C ATOM 235 C TRP A 16 -2.796 30.306 19.225 1.00 50.00 C ATOM 236 O TRP A 16 -3.325 29.902 18.207 1.00 50.00 O ATOM 237 CB TRP A 16 -3.641 30.307 21.592 1.00 50.00 C ATOM 238 CG TRP A 16 -3.204 31.200 22.709 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.269 30.886 23.635 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.664 32.543 23.031 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.127 31.951 24.506 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.967 32.996 24.176 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.611 33.404 22.448 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.200 34.259 24.721 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.849 34.675 22.994 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.145 35.102 24.130 1.00 50.00 C ATOM 0 H TRP A 16 -5.599 30.402 20.021 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.101 32.050 20.394 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.653 29.945 21.775 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.994 29.431 21.537 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -1.723 29.956 23.686 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -1.481 31.963 25.295 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.159 33.085 21.574 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.653 34.583 25.594 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.578 35.328 22.537 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.333 36.080 24.547 1.00 50.00 H new ATOM 257 N ASP A 17 -1.530 30.095 19.459 1.00 50.00 N ATOM 258 CA ASP A 17 -0.707 29.345 18.471 1.00 50.00 C ATOM 259 C ASP A 17 -0.462 27.915 18.961 1.00 50.00 C ATOM 260 O ASP A 17 -0.948 27.513 19.999 1.00 50.00 O ATOM 261 CB ASP A 17 0.609 30.118 18.383 1.00 50.00 C ATOM 262 CG ASP A 17 0.908 30.463 16.922 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.117 30.094 16.071 1.00 50.00 O ATOM 264 OD2 ASP A 17 1.926 31.092 16.680 1.00 50.00 O ATOM 0 H ASP A 17 -1.031 30.410 20.291 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.197 29.266 17.501 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.547 31.030 18.977 1.00 50.00 H new ATOM 0 HB3 ASP A 17 1.421 29.522 18.799 1.00 50.00 H new ATOM 269 N MET A 18 0.284 27.145 18.219 1.00 50.00 N ATOM 270 CA MET A 18 0.553 25.738 18.636 1.00 50.00 C ATOM 271 C MET A 18 1.657 25.691 19.697 1.00 50.00 C ATOM 272 O MET A 18 1.501 25.088 20.741 1.00 50.00 O ATOM 273 CB MET A 18 1.005 25.029 17.360 1.00 50.00 C ATOM 274 CG MET A 18 -0.219 24.485 16.622 1.00 50.00 C ATOM 275 SD MET A 18 0.025 24.660 14.836 1.00 50.00 S ATOM 276 CE MET A 18 -0.049 22.899 14.425 1.00 50.00 C ATOM 0 H MET A 18 0.720 27.428 17.341 1.00 50.00 H new ATOM 0 HA MET A 18 -0.325 25.267 19.079 1.00 50.00 H new ATOM 0 HB2 MET A 18 1.552 25.722 16.720 1.00 50.00 H new ATOM 0 HB3 MET A 18 1.687 24.215 17.605 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.375 23.437 16.877 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.114 25.025 16.932 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.081 22.770 13.350 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.744 22.369 14.952 1.00 50.00 H new ATOM 0 HE3 MET A 18 -1.016 22.496 14.724 1.00 50.00 H new ATOM 286 N ASP A 19 2.774 26.313 19.437 1.00 50.00 N ATOM 287 CA ASP A 19 3.886 26.290 20.432 1.00 50.00 C ATOM 288 C ASP A 19 4.287 27.715 20.823 1.00 50.00 C ATOM 289 O ASP A 19 4.946 27.931 21.820 1.00 50.00 O ATOM 290 CB ASP A 19 5.038 25.587 19.714 1.00 50.00 C ATOM 291 CG ASP A 19 5.305 26.281 18.377 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.602 27.232 18.075 1.00 50.00 O ATOM 293 OD2 ASP A 19 6.206 25.850 17.677 1.00 50.00 O ATOM 0 H ASP A 19 2.966 26.835 18.582 1.00 50.00 H new ATOM 0 HA ASP A 19 3.603 25.781 21.354 1.00 50.00 H new ATOM 0 HB2 ASP A 19 5.935 25.610 20.333 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.792 24.538 19.549 1.00 50.00 H new ATOM 298 N ASP A 20 3.897 28.689 20.047 1.00 50.00 N ATOM 299 CA ASP A 20 4.262 30.095 20.382 1.00 50.00 C ATOM 300 C ASP A 20 3.703 30.474 21.756 1.00 50.00 C ATOM 301 O ASP A 20 4.435 30.619 22.715 1.00 50.00 O ATOM 302 CB ASP A 20 3.618 30.945 19.287 1.00 50.00 C ATOM 303 CG ASP A 20 4.107 32.390 19.408 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.996 32.628 20.209 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.585 33.233 18.697 1.00 50.00 O ATOM 0 H ASP A 20 3.343 28.573 19.198 1.00 50.00 H new ATOM 0 HA ASP A 20 5.341 30.241 20.428 1.00 50.00 H new ATOM 0 HB2 ASP A 20 3.872 30.545 18.305 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.532 30.909 19.375 1.00 50.00 H new ATOM 310 N ASP A 21 2.411 30.635 21.859 1.00 50.00 N ATOM 311 CA ASP A 21 1.805 31.005 23.171 1.00 50.00 C ATOM 312 C ASP A 21 1.675 29.771 24.067 1.00 50.00 C ATOM 313 O ASP A 21 1.099 29.826 25.136 1.00 50.00 O ATOM 314 CB ASP A 21 0.425 31.566 22.826 1.00 50.00 C ATOM 315 CG ASP A 21 0.578 32.723 21.838 1.00 50.00 C ATOM 316 OD1 ASP A 21 1.557 33.443 21.946 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.287 32.870 20.990 1.00 50.00 O ATOM 0 H ASP A 21 1.749 30.526 21.091 1.00 50.00 H new ATOM 0 HA ASP A 21 2.414 31.726 23.716 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.199 30.784 22.393 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.076 31.910 23.731 1.00 50.00 H new ATOM 322 N ASP A 22 2.204 28.658 23.640 1.00 50.00 N ATOM 323 CA ASP A 22 2.110 27.420 24.467 1.00 50.00 C ATOM 324 C ASP A 22 0.676 27.216 24.960 1.00 50.00 C ATOM 325 O ASP A 22 0.435 27.023 26.135 1.00 50.00 O ATOM 326 CB ASP A 22 3.054 27.654 25.647 1.00 50.00 C ATOM 327 CG ASP A 22 3.913 26.408 25.867 1.00 50.00 C ATOM 328 OD1 ASP A 22 3.801 25.486 25.075 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.669 26.395 26.825 1.00 50.00 O ATOM 0 H ASP A 22 2.698 28.551 22.754 1.00 50.00 H new ATOM 0 HA ASP A 22 2.380 26.528 23.901 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.690 28.518 25.452 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.481 27.877 26.547 1.00 50.00 H new ATOM 334 N LEU A 23 -0.273 27.256 24.069 1.00 50.00 N ATOM 335 CA LEU A 23 -1.694 27.060 24.481 1.00 50.00 C ATOM 336 C LEU A 23 -1.795 25.914 25.493 1.00 50.00 C ATOM 337 O LEU A 23 -2.367 26.058 26.555 1.00 50.00 O ATOM 338 CB LEU A 23 -2.432 26.703 23.191 1.00 50.00 C ATOM 339 CG LEU A 23 -3.942 26.766 23.431 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.301 28.114 24.061 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.675 26.612 22.098 1.00 50.00 C ATOM 0 H LEU A 23 -0.129 27.416 23.072 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.114 27.945 24.959 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.151 27.393 22.396 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -2.147 25.704 22.861 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.239 25.961 24.103 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -5.376 28.161 24.233 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.777 28.223 25.011 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.006 28.920 23.389 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.751 26.657 22.267 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.380 27.417 21.425 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.418 25.652 21.650 1.00 50.00 H new ATOM 353 N PHE A 24 -1.236 24.780 25.171 1.00 50.00 N ATOM 354 CA PHE A 24 -1.290 23.627 26.112 1.00 50.00 C ATOM 355 C PHE A 24 -0.891 24.091 27.512 1.00 50.00 C ATOM 356 O PHE A 24 -1.253 23.496 28.507 1.00 50.00 O ATOM 357 CB PHE A 24 -0.266 22.625 25.574 1.00 50.00 C ATOM 358 CG PHE A 24 -0.922 21.711 24.567 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.597 20.563 24.998 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.848 22.008 23.201 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.200 19.713 24.062 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.450 21.158 22.266 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.126 20.011 22.696 1.00 50.00 C ATOM 0 H PHE A 24 -0.744 24.602 24.296 1.00 50.00 H new ATOM 0 HA PHE A 24 -2.286 23.191 26.181 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.565 23.155 25.109 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.148 22.039 26.394 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.653 20.333 26.052 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.326 22.893 22.868 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.722 18.828 24.394 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.393 21.388 21.212 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.591 19.356 21.974 1.00 50.00 H new ATOM 373 N GLU A 25 -0.140 25.155 27.590 1.00 50.00 N ATOM 374 CA GLU A 25 0.295 25.667 28.921 1.00 50.00 C ATOM 375 C GLU A 25 -0.621 26.803 29.382 1.00 50.00 C ATOM 376 O GLU A 25 -1.099 26.812 30.499 1.00 50.00 O ATOM 377 CB GLU A 25 1.718 26.181 28.700 1.00 50.00 C ATOM 378 CG GLU A 25 2.698 25.335 29.514 1.00 50.00 C ATOM 379 CD GLU A 25 3.089 24.092 28.713 1.00 50.00 C ATOM 380 OE1 GLU A 25 2.214 23.509 28.095 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.259 23.745 28.730 1.00 50.00 O ATOM 0 H GLU A 25 0.192 25.693 26.789 1.00 50.00 H new ATOM 0 HA GLU A 25 0.253 24.897 29.692 1.00 50.00 H new ATOM 0 HB2 GLU A 25 1.973 26.134 27.641 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.789 27.227 28.999 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.586 25.919 29.755 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.243 25.042 30.460 1.00 50.00 H new ATOM 388 N LYS A 26 -0.871 27.762 28.533 1.00 50.00 N ATOM 389 CA LYS A 26 -1.757 28.893 28.930 1.00 50.00 C ATOM 390 C LYS A 26 -3.125 28.362 29.362 1.00 50.00 C ATOM 391 O LYS A 26 -3.890 29.043 30.017 1.00 50.00 O ATOM 392 CB LYS A 26 -1.887 29.761 27.678 1.00 50.00 C ATOM 393 CG LYS A 26 -2.532 31.098 28.049 1.00 50.00 C ATOM 394 CD LYS A 26 -4.015 31.072 27.673 1.00 50.00 C ATOM 395 CE LYS A 26 -4.719 32.277 28.296 1.00 50.00 C ATOM 396 NZ LYS A 26 -5.644 32.767 27.234 1.00 50.00 N ATOM 0 H LYS A 26 -0.501 27.811 27.584 1.00 50.00 H new ATOM 0 HA LYS A 26 -1.354 29.457 29.771 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.905 29.929 27.235 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -2.491 29.249 26.929 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -2.420 31.284 29.117 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -2.029 31.913 27.529 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -4.127 31.092 26.589 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -4.474 30.148 28.024 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -5.264 31.995 29.197 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -4.004 33.048 28.585 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -6.166 33.596 27.584 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -5.095 33.034 26.392 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -6.316 32.014 26.985 1.00 50.00 H new ATOM 410 N ALA A 27 -3.438 27.147 29.003 1.00 50.00 N ATOM 411 CA ALA A 27 -4.757 26.571 29.396 1.00 50.00 C ATOM 412 C ALA A 27 -4.808 26.365 30.913 1.00 50.00 C ATOM 413 O ALA A 27 -5.787 26.680 31.559 1.00 50.00 O ATOM 414 CB ALA A 27 -4.838 25.228 28.669 1.00 50.00 C ATOM 0 H ALA A 27 -2.839 26.529 28.456 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.589 27.224 29.134 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.783 24.741 28.908 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.776 25.392 27.593 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -4.012 24.592 28.987 1.00 50.00 H new ATOM 420 N ALA A 28 -3.759 25.840 31.484 1.00 50.00 N ATOM 421 CA ALA A 28 -3.746 25.617 32.958 1.00 50.00 C ATOM 422 C ALA A 28 -3.911 26.948 33.696 1.00 50.00 C ATOM 423 O ALA A 28 -4.340 26.991 34.833 1.00 50.00 O ATOM 424 CB ALA A 28 -2.376 25.006 33.252 1.00 50.00 C ATOM 0 H ALA A 28 -2.911 25.556 30.994 1.00 50.00 H new ATOM 0 HA ALA A 28 -4.560 24.970 33.286 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -2.286 24.811 34.321 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -2.269 24.071 32.702 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -1.594 25.700 32.943 1.00 50.00 H new ATOM 430 N ASP A 29 -3.572 28.035 33.059 1.00 50.00 N ATOM 431 CA ASP A 29 -3.708 29.363 33.724 1.00 50.00 C ATOM 432 C ASP A 29 -5.132 29.897 33.553 1.00 50.00 C ATOM 433 O ASP A 29 -5.607 30.688 34.345 1.00 50.00 O ATOM 434 CB ASP A 29 -2.706 30.269 33.007 1.00 50.00 C ATOM 435 CG ASP A 29 -1.317 29.630 33.054 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.906 29.226 34.129 1.00 50.00 O ATOM 437 OD2 ASP A 29 -0.685 29.555 32.012 1.00 50.00 O ATOM 0 H ASP A 29 -3.207 28.062 32.107 1.00 50.00 H new ATOM 0 HA ASP A 29 -3.516 29.310 34.796 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -3.013 30.422 31.972 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -2.683 31.250 33.481 1.00 50.00 H new ATOM 442 N ALA A 30 -5.817 29.474 32.526 1.00 50.00 N ATOM 443 CA ALA A 30 -7.210 29.961 32.308 1.00 50.00 C ATOM 444 C ALA A 30 -8.177 29.235 33.245 1.00 50.00 C ATOM 445 O ALA A 30 -9.021 29.840 33.875 1.00 50.00 O ATOM 446 CB ALA A 30 -7.523 29.627 30.850 1.00 50.00 C ATOM 0 H ALA A 30 -5.474 28.813 31.829 1.00 50.00 H new ATOM 0 HA ALA A 30 -7.311 31.027 32.512 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -8.535 29.955 30.611 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -6.813 30.137 30.199 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -7.445 28.550 30.699 1.00 50.00 H new ATOM 452 N GLY A 31 -8.057 27.943 33.341 1.00 50.00 N ATOM 453 CA GLY A 31 -8.965 27.173 34.236 1.00 50.00 C ATOM 454 C GLY A 31 -10.137 26.620 33.423 1.00 50.00 C ATOM 455 O GLY A 31 -11.283 26.740 33.807 1.00 50.00 O ATOM 0 H GLY A 31 -7.368 27.384 32.838 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -8.420 26.356 34.709 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -9.334 27.815 35.036 1.00 50.00 H new ATOM 459 N LEU A 32 -9.860 26.014 32.300 1.00 50.00 N ATOM 460 CA LEU A 32 -10.963 25.454 31.466 1.00 50.00 C ATOM 461 C LEU A 32 -11.438 24.121 32.048 1.00 50.00 C ATOM 462 O LEU A 32 -10.780 23.524 32.877 1.00 50.00 O ATOM 463 CB LEU A 32 -10.349 25.248 30.080 1.00 50.00 C ATOM 464 CG LEU A 32 -10.985 26.226 29.091 1.00 50.00 C ATOM 465 CD1 LEU A 32 -10.844 27.654 29.623 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.280 26.113 27.738 1.00 50.00 C ATOM 0 H LEU A 32 -8.921 25.883 31.925 1.00 50.00 H new ATOM 0 HA LEU A 32 -11.831 26.113 31.431 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -9.271 25.405 30.121 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.510 24.222 29.748 1.00 50.00 H new ATOM 0 HG LEU A 32 -12.042 25.986 28.971 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -11.297 28.351 28.918 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -11.346 27.734 30.587 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -9.788 27.895 29.743 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.733 26.810 27.033 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.223 26.353 27.857 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.381 25.096 27.359 1.00 50.00 H new ATOM 478 N ASP A 33 -12.578 23.649 31.623 1.00 50.00 N ATOM 479 CA ASP A 33 -13.095 22.356 32.155 1.00 50.00 C ATOM 480 C ASP A 33 -12.124 21.217 31.824 1.00 50.00 C ATOM 481 O ASP A 33 -11.348 21.300 30.892 1.00 50.00 O ATOM 482 CB ASP A 33 -14.434 22.145 31.449 1.00 50.00 C ATOM 483 CG ASP A 33 -15.516 22.966 32.152 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.544 24.169 31.952 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.299 22.377 32.880 1.00 50.00 O ATOM 0 H ASP A 33 -13.174 24.103 30.930 1.00 50.00 H new ATOM 0 HA ASP A 33 -13.204 22.370 33.239 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -14.357 22.444 30.404 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -14.700 21.088 31.459 1.00 50.00 H new ATOM 490 N GLY A 34 -12.162 20.155 32.582 1.00 50.00 N ATOM 491 CA GLY A 34 -11.243 19.014 32.315 1.00 50.00 C ATOM 492 C GLY A 34 -11.617 18.356 30.985 1.00 50.00 C ATOM 493 O GLY A 34 -10.804 17.719 30.347 1.00 50.00 O ATOM 0 H GLY A 34 -12.791 20.029 33.375 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.211 19.365 32.282 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.306 18.286 33.123 1.00 50.00 H new ATOM 497 N GLU A 35 -12.842 18.504 30.561 1.00 50.00 N ATOM 498 CA GLU A 35 -13.260 17.883 29.272 1.00 50.00 C ATOM 499 C GLU A 35 -12.676 18.666 28.091 1.00 50.00 C ATOM 500 O GLU A 35 -12.891 18.329 26.943 1.00 50.00 O ATOM 501 CB GLU A 35 -14.791 17.954 29.274 1.00 50.00 C ATOM 502 CG GLU A 35 -15.252 19.358 28.868 1.00 50.00 C ATOM 503 CD GLU A 35 -16.703 19.567 29.307 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.244 18.677 29.942 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.250 20.613 28.997 1.00 50.00 O ATOM 0 H GLU A 35 -13.570 19.026 31.049 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.905 16.857 29.171 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.198 17.215 28.584 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.173 17.709 30.265 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.610 20.110 29.327 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.166 19.482 27.789 1.00 50.00 H new ATOM 512 N ASP A 36 -11.941 19.712 28.363 1.00 50.00 N ATOM 513 CA ASP A 36 -11.350 20.518 27.254 1.00 50.00 C ATOM 514 C ASP A 36 -9.819 20.456 27.303 1.00 50.00 C ATOM 515 O ASP A 36 -9.173 20.148 26.321 1.00 50.00 O ATOM 516 CB ASP A 36 -11.839 21.946 27.502 1.00 50.00 C ATOM 517 CG ASP A 36 -12.815 22.351 26.396 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.213 21.482 25.637 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.148 23.522 26.326 1.00 50.00 O ATOM 0 H ASP A 36 -11.725 20.043 29.303 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.647 20.148 26.273 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -12.328 22.011 28.474 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.993 22.633 27.524 1.00 50.00 H new ATOM 524 N TYR A 37 -9.232 20.747 28.432 1.00 12.50 N ATOM 525 CA TYR A 37 -7.743 20.703 28.523 1.00 12.50 C ATOM 526 C TYR A 37 -7.304 19.943 29.779 1.00 12.50 C ATOM 527 O TYR A 37 -7.906 20.054 30.829 1.00 12.50 O ATOM 528 CB TYR A 37 -7.308 22.168 28.599 1.00 12.50 C ATOM 529 CG TYR A 37 -5.888 22.250 29.110 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.825 21.868 28.284 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.636 22.707 30.410 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.508 21.942 28.756 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.320 22.782 30.882 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.256 22.399 30.055 1.00 12.50 C ATOM 535 OH TYR A 37 -1.959 22.473 30.521 1.00 50.00 O ATOM 0 H TYR A 37 -9.715 21.012 29.291 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.295 20.187 27.674 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.378 22.630 27.614 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.975 22.722 29.259 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.020 21.516 27.282 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.456 23.001 31.048 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.688 21.647 28.118 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.125 23.135 31.884 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.359 22.706 29.782 1.00 50.00 H new ATOM 545 N GLY A 38 -6.252 19.176 29.678 1.00 10.00 N ATOM 546 CA GLY A 38 -5.769 18.415 30.864 1.00 10.00 C ATOM 547 C GLY A 38 -4.771 17.346 30.416 1.00 10.00 C ATOM 548 O GLY A 38 -4.526 17.164 29.240 1.00 10.00 O ATOM 0 H GLY A 38 -5.707 19.044 28.826 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.297 19.092 31.576 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.610 17.949 31.377 1.00 10.00 H new ATOM 552 N THR A 39 -4.193 16.636 31.346 1.00 10.00 N ATOM 553 CA THR A 39 -3.210 15.580 30.975 1.00 10.00 C ATOM 554 C THR A 39 -3.904 14.218 30.881 1.00 10.00 C ATOM 555 O THR A 39 -4.608 13.804 31.780 1.00 10.00 O ATOM 556 CB THR A 39 -2.184 15.585 32.109 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.620 16.883 32.228 1.00 50.00 O ATOM 558 CG2 THR A 39 -1.079 14.573 31.805 1.00 50.00 C ATOM 0 H THR A 39 -4.359 16.742 32.347 1.00 10.00 H new ATOM 0 HA THR A 39 -2.748 15.765 30.005 1.00 10.00 H new ATOM 0 HB THR A 39 -2.674 15.313 33.044 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.963 16.889 32.955 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.349 14.578 32.614 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.513 13.577 31.714 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.587 14.842 30.870 1.00 50.00 H new ATOM 566 N MET A 40 -3.712 13.520 29.794 1.00 10.00 N ATOM 567 CA MET A 40 -4.363 12.187 29.639 1.00 10.00 C ATOM 568 C MET A 40 -3.387 11.070 30.020 1.00 10.00 C ATOM 569 O MET A 40 -2.847 10.391 29.171 1.00 10.00 O ATOM 570 CB MET A 40 -4.726 12.097 28.158 1.00 10.00 C ATOM 571 CG MET A 40 -6.239 11.932 28.011 1.00 10.00 C ATOM 572 SD MET A 40 -6.644 11.576 26.283 1.00 12.50 S ATOM 573 CE MET A 40 -6.064 9.863 26.261 1.00 50.00 C ATOM 0 H MET A 40 -3.133 13.815 29.008 1.00 10.00 H new ATOM 0 HA MET A 40 -5.236 12.077 30.283 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.395 12.995 27.637 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.211 11.254 27.697 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.591 11.124 28.652 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.747 12.840 28.335 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.784 9.242 25.729 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.099 9.812 25.757 1.00 50.00 H new ATOM 0 HE3 MET A 40 -5.959 9.501 27.284 1.00 50.00 H new ATOM 583 N GLU A 41 -3.158 10.873 31.289 1.00 10.00 N ATOM 584 CA GLU A 41 -2.218 9.797 31.715 1.00 10.00 C ATOM 585 C GLU A 41 -2.712 8.437 31.214 1.00 10.00 C ATOM 586 O GLU A 41 -3.636 7.864 31.755 1.00 10.00 O ATOM 587 CB GLU A 41 -2.228 9.841 33.243 1.00 10.00 C ATOM 588 CG GLU A 41 -0.978 9.141 33.781 1.00 10.00 C ATOM 589 CD GLU A 41 -1.323 8.404 35.076 1.00 12.50 C ATOM 590 OE1 GLU A 41 -2.404 8.632 35.594 1.00 12.50 O ATOM 591 OE2 GLU A 41 -0.501 7.622 35.527 1.00 12.50 O ATOM 0 H GLU A 41 -3.580 11.409 32.048 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.216 9.941 31.311 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.256 10.875 33.588 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.124 9.353 33.626 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.595 8.438 33.041 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.190 9.871 33.965 1.00 10.00 H new ATOM 598 N VAL A 42 -2.105 7.917 30.183 1.00 10.00 N ATOM 599 CA VAL A 42 -2.544 6.594 29.649 1.00 10.00 C ATOM 600 C VAL A 42 -1.550 5.502 30.053 1.00 10.00 C ATOM 601 O VAL A 42 -0.355 5.644 29.886 1.00 10.00 O ATOM 602 CB VAL A 42 -2.561 6.764 28.129 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.709 5.393 27.466 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.740 7.653 27.728 1.00 10.00 C ATOM 0 H VAL A 42 -1.325 8.349 29.687 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.518 6.297 30.038 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.629 7.228 27.804 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.721 5.512 26.383 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -1.870 4.758 27.752 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.641 4.931 27.791 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.752 7.774 26.645 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.672 7.189 28.052 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.637 8.629 28.201 1.00 10.00 H new ATOM 614 N ALA A 43 -2.035 4.411 30.578 1.00 10.00 N ATOM 615 CA ALA A 43 -1.117 3.309 30.988 1.00 10.00 C ATOM 616 C ALA A 43 -0.634 2.540 29.757 1.00 10.00 C ATOM 617 O ALA A 43 -1.414 2.154 28.909 1.00 10.00 O ATOM 618 CB ALA A 43 -1.958 2.406 31.892 1.00 50.00 C ATOM 0 H ALA A 43 -3.026 4.234 30.741 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.228 3.680 31.499 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.351 1.569 32.236 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.309 2.977 32.752 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.814 2.028 31.334 1.00 50.00 H new ATOM 624 N GLU A 44 0.646 2.315 29.651 1.00 10.00 N ATOM 625 CA GLU A 44 1.178 1.571 28.473 1.00 10.00 C ATOM 626 C GLU A 44 0.385 0.279 28.257 1.00 10.00 C ATOM 627 O GLU A 44 0.379 -0.605 29.089 1.00 10.00 O ATOM 628 CB GLU A 44 2.632 1.255 28.828 1.00 10.00 C ATOM 629 CG GLU A 44 2.686 0.569 30.193 1.00 10.00 C ATOM 630 CD GLU A 44 3.856 1.133 31.002 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.630 1.888 30.438 1.00 25.00 O ATOM 632 OE2 GLU A 44 3.958 0.800 32.171 1.00 25.00 O ATOM 0 H GLU A 44 1.347 2.614 30.329 1.00 10.00 H new ATOM 0 HA GLU A 44 1.099 2.148 27.552 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.071 0.610 28.067 1.00 10.00 H new ATOM 0 HB3 GLU A 44 3.221 2.172 28.847 1.00 10.00 H new ATOM 0 HG2 GLU A 44 1.750 0.727 30.729 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.803 -0.507 30.067 1.00 10.00 H new ATOM 639 N GLY A 45 -0.287 0.167 27.143 1.00 10.00 N ATOM 640 CA GLY A 45 -1.081 -1.064 26.872 1.00 10.00 C ATOM 641 C GLY A 45 -2.573 -0.747 26.998 1.00 10.00 C ATOM 642 O GLY A 45 -3.413 -1.621 26.912 1.00 10.00 O ATOM 0 H GLY A 45 -0.320 0.875 26.410 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.861 -1.439 25.872 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.805 -1.850 27.575 1.00 10.00 H new ATOM 646 N GLU A 46 -2.911 0.497 27.203 1.00 10.00 N ATOM 647 CA GLU A 46 -4.349 0.869 27.335 1.00 10.00 C ATOM 648 C GLU A 46 -4.760 1.802 26.193 1.00 10.00 C ATOM 649 O GLU A 46 -4.282 2.914 26.086 1.00 10.00 O ATOM 650 CB GLU A 46 -4.448 1.592 28.678 1.00 10.00 C ATOM 651 CG GLU A 46 -5.872 1.463 29.224 1.00 10.00 C ATOM 652 CD GLU A 46 -5.820 1.232 30.735 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.037 1.900 31.390 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.564 0.390 31.211 1.00 10.00 O ATOM 0 H GLU A 46 -2.253 1.272 27.285 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.007 0.001 27.289 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.736 1.167 29.385 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.187 2.643 28.557 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.441 2.366 29.003 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.386 0.635 28.736 1.00 10.00 H new ATOM 661 N TYR A 47 -5.643 1.360 25.340 1.00 10.00 N ATOM 662 CA TYR A 47 -6.082 2.224 24.208 1.00 10.00 C ATOM 663 C TYR A 47 -6.357 3.646 24.705 1.00 10.00 C ATOM 664 O TYR A 47 -6.772 3.851 25.828 1.00 10.00 O ATOM 665 CB TYR A 47 -7.371 1.581 23.696 1.00 10.00 C ATOM 666 CG TYR A 47 -7.111 0.138 23.330 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.870 -0.237 22.802 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.112 -0.822 23.516 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.630 -1.573 22.461 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.872 -2.159 23.175 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.631 -2.535 22.647 1.00 10.00 C ATOM 672 OH TYR A 47 -6.396 -3.852 22.310 1.00 10.00 O ATOM 0 H TYR A 47 -6.079 0.439 25.378 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.324 2.299 23.428 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.146 1.638 24.461 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.740 2.126 22.827 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.098 0.504 22.658 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.070 -0.532 23.922 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.672 -1.862 22.054 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.644 -2.900 23.319 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.194 -4.387 22.504 1.00 10.00 H new ATOM 682 N ILE A 48 -6.131 4.630 23.877 1.00 10.00 N ATOM 683 CA ILE A 48 -6.384 6.035 24.309 1.00 10.00 C ATOM 684 C ILE A 48 -7.846 6.199 24.729 1.00 10.00 C ATOM 685 O ILE A 48 -8.142 6.584 25.843 1.00 10.00 O ATOM 686 CB ILE A 48 -6.080 6.891 23.079 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.631 6.664 22.641 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.282 8.368 23.423 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.612 6.034 21.248 1.00 10.00 C ATOM 0 H ILE A 48 -5.784 4.523 22.924 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.772 6.322 25.164 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.752 6.610 22.268 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.090 7.610 22.631 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.122 6.014 23.353 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.065 8.979 22.546 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.314 8.532 23.733 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.611 8.648 24.235 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.580 5.872 20.936 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -5.137 5.079 21.273 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -5.105 6.701 20.540 1.00 10.00 H new ATOM 701 N LEU A 49 -8.765 5.908 23.849 1.00 10.00 N ATOM 702 CA LEU A 49 -10.205 6.046 24.205 1.00 10.00 C ATOM 703 C LEU A 49 -10.491 5.310 25.518 1.00 10.00 C ATOM 704 O LEU A 49 -11.461 5.584 26.197 1.00 10.00 O ATOM 705 CB LEU A 49 -10.965 5.399 23.044 1.00 10.00 C ATOM 706 CG LEU A 49 -10.467 3.965 22.843 1.00 10.00 C ATOM 707 CD1 LEU A 49 -11.418 2.993 23.543 1.00 10.00 C ATOM 708 CD2 LEU A 49 -10.422 3.644 21.346 1.00 10.00 C ATOM 0 H LEU A 49 -8.581 5.581 22.900 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.501 7.085 24.351 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -12.035 5.398 23.252 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.818 5.977 22.132 1.00 10.00 H new ATOM 0 HG LEU A 49 -9.467 3.865 23.266 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -11.064 1.972 23.400 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.451 3.220 24.609 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.417 3.093 23.120 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -10.067 2.623 21.203 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -11.421 3.744 20.922 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -9.745 4.336 20.846 1.00 10.00 H new ATOM 720 N GLU A 50 -9.651 4.380 25.881 1.00 10.00 N ATOM 721 CA GLU A 50 -9.868 3.627 27.149 1.00 10.00 C ATOM 722 C GLU A 50 -9.392 4.448 28.352 1.00 10.00 C ATOM 723 O GLU A 50 -10.140 4.707 29.273 1.00 10.00 O ATOM 724 CB GLU A 50 -9.029 2.359 27.003 1.00 10.00 C ATOM 725 CG GLU A 50 -9.955 1.149 26.862 1.00 10.00 C ATOM 726 CD GLU A 50 -10.193 0.526 28.238 1.00 50.00 C ATOM 727 OE1 GLU A 50 -10.445 1.272 29.170 1.00 50.00 O ATOM 728 OE2 GLU A 50 -10.120 -0.688 28.338 1.00 50.00 O ATOM 0 H GLU A 50 -8.822 4.108 25.353 1.00 10.00 H new ATOM 0 HA GLU A 50 -10.922 3.406 27.318 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -8.380 2.438 26.131 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.382 2.236 27.871 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.904 1.453 26.420 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -9.511 0.414 26.190 1.00 10.00 H new ATOM 735 N ALA A 51 -8.151 4.857 28.354 1.00 10.00 N ATOM 736 CA ALA A 51 -7.631 5.654 29.503 1.00 10.00 C ATOM 737 C ALA A 51 -8.380 6.983 29.615 1.00 10.00 C ATOM 738 O ALA A 51 -8.553 7.522 30.690 1.00 10.00 O ATOM 739 CB ALA A 51 -6.156 5.898 29.183 1.00 12.50 C ATOM 0 H ALA A 51 -7.476 4.674 27.611 1.00 10.00 H new ATOM 0 HA ALA A 51 -7.764 5.136 30.453 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -5.701 6.480 29.984 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -5.641 4.942 29.092 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.073 6.446 28.244 1.00 12.50 H new ATOM 745 N ALA A 52 -8.821 7.516 28.512 1.00 10.00 N ATOM 746 CA ALA A 52 -9.555 8.813 28.555 1.00 10.00 C ATOM 747 C ALA A 52 -11.010 8.588 28.967 1.00 10.00 C ATOM 748 O ALA A 52 -11.562 9.321 29.763 1.00 10.00 O ATOM 749 CB ALA A 52 -9.473 9.364 27.133 1.00 10.00 C ATOM 0 H ALA A 52 -8.706 7.112 27.583 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.128 9.504 29.282 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.992 10.321 27.083 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.428 9.503 26.857 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.940 8.661 26.443 1.00 10.00 H new ATOM 755 N GLU A 53 -11.632 7.579 28.432 1.00 10.00 N ATOM 756 CA GLU A 53 -13.053 7.304 28.795 1.00 10.00 C ATOM 757 C GLU A 53 -13.168 7.060 30.299 1.00 10.00 C ATOM 758 O GLU A 53 -14.170 7.365 30.914 1.00 10.00 O ATOM 759 CB GLU A 53 -13.432 6.045 28.014 1.00 10.00 C ATOM 760 CG GLU A 53 -14.763 5.500 28.539 1.00 10.00 C ATOM 761 CD GLU A 53 -14.977 4.080 28.011 1.00 10.00 C ATOM 762 OE1 GLU A 53 -14.485 3.156 28.637 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.632 3.941 26.991 1.00 10.00 O ATOM 0 H GLU A 53 -11.222 6.931 27.759 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.711 8.139 28.554 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.514 6.274 26.952 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.652 5.291 28.118 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -14.763 5.498 29.629 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.583 6.145 28.222 1.00 10.00 H new ATOM 770 N ALA A 54 -12.146 6.515 30.895 1.00 10.00 N ATOM 771 CA ALA A 54 -12.187 6.253 32.360 1.00 10.00 C ATOM 772 C ALA A 54 -11.929 7.550 33.131 1.00 10.00 C ATOM 773 O ALA A 54 -12.027 7.595 34.342 1.00 10.00 O ATOM 774 CB ALA A 54 -11.068 5.243 32.614 1.00 50.00 C ATOM 0 H ALA A 54 -11.281 6.239 30.430 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.155 5.875 32.688 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.033 4.998 33.676 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.258 4.337 32.038 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.114 5.673 32.309 1.00 50.00 H new ATOM 780 N GLN A 55 -11.600 8.606 32.438 1.00 10.00 N ATOM 781 CA GLN A 55 -11.335 9.901 33.128 1.00 10.00 C ATOM 782 C GLN A 55 -12.514 10.857 32.929 1.00 10.00 C ATOM 783 O GLN A 55 -12.644 11.850 33.615 1.00 10.00 O ATOM 784 CB GLN A 55 -10.076 10.458 32.462 1.00 10.00 C ATOM 785 CG GLN A 55 -8.848 9.709 32.986 1.00 10.00 C ATOM 786 CD GLN A 55 -7.768 10.718 33.383 1.00 10.00 C ATOM 787 OE1 GLN A 55 -7.373 11.547 32.587 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.271 10.683 34.589 1.00 10.00 N ATOM 0 H GLN A 55 -11.503 8.628 31.423 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.205 9.775 34.203 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.146 10.351 31.380 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.982 11.524 32.671 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.121 9.096 33.845 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.466 9.034 32.220 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.602 9.987 35.257 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -6.551 11.351 34.864 1.00 10.00 H new ATOM 797 N GLY A 56 -13.376 10.565 31.992 1.00 10.00 N ATOM 798 CA GLY A 56 -14.545 11.457 31.751 1.00 10.00 C ATOM 799 C GLY A 56 -14.325 12.260 30.468 1.00 10.00 C ATOM 800 O GLY A 56 -14.879 13.327 30.291 1.00 10.00 O ATOM 0 H GLY A 56 -13.321 9.748 31.384 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.456 10.864 31.669 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.679 12.133 32.596 1.00 10.00 H new ATOM 804 N TYR A 57 -13.522 11.758 29.569 1.00 10.00 N ATOM 805 CA TYR A 57 -13.272 12.498 28.298 1.00 10.00 C ATOM 806 C TYR A 57 -14.208 11.992 27.198 1.00 10.00 C ATOM 807 O TYR A 57 -14.625 10.850 27.199 1.00 10.00 O ATOM 808 CB TYR A 57 -11.818 12.194 27.934 1.00 10.00 C ATOM 809 CG TYR A 57 -10.907 12.579 29.076 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.324 13.516 30.029 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.641 11.995 29.178 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.472 13.867 31.084 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.789 12.345 30.230 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.204 13.281 31.184 1.00 12.50 C ATOM 815 OH TYR A 57 -8.364 13.627 32.224 1.00 12.50 O ATOM 0 H TYR A 57 -13.029 10.870 29.659 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.451 13.568 28.407 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.705 11.133 27.710 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.538 12.742 27.034 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.302 13.968 29.951 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.320 11.272 28.443 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.793 14.589 31.820 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.811 11.893 30.306 1.00 12.50 H new ATOM 0 HH TYR A 57 -7.777 12.871 32.435 1.00 12.50 H new ATOM 825 N ASP A 58 -14.533 12.831 26.254 1.00 10.00 N ATOM 826 CA ASP A 58 -15.433 12.402 25.145 1.00 10.00 C ATOM 827 C ASP A 58 -14.768 12.705 23.800 1.00 10.00 C ATOM 828 O ASP A 58 -14.183 13.753 23.610 1.00 10.00 O ATOM 829 CB ASP A 58 -16.705 13.232 25.318 1.00 10.00 C ATOM 830 CG ASP A 58 -17.776 12.727 24.349 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.454 12.534 23.189 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.901 12.545 24.784 1.00 10.00 O ATOM 0 H ASP A 58 -14.214 13.798 26.202 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.647 11.333 25.168 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.064 13.158 26.345 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.494 14.285 25.129 1.00 10.00 H new ATOM 837 N TRP A 59 -14.838 11.795 22.869 1.00 10.00 N ATOM 838 CA TRP A 59 -14.194 12.038 21.546 1.00 10.00 C ATOM 839 C TRP A 59 -15.160 11.718 20.406 1.00 10.00 C ATOM 840 O TRP A 59 -16.161 11.058 20.601 1.00 10.00 O ATOM 841 CB TRP A 59 -12.997 11.090 21.517 1.00 10.00 C ATOM 842 CG TRP A 59 -12.195 11.273 22.763 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.593 10.902 24.001 1.00 10.00 C ATOM 844 CD2 TRP A 59 -10.872 11.864 22.918 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.601 11.227 24.906 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.519 11.822 24.287 1.00 50.00 C ATOM 847 CE3 TRP A 59 -9.955 12.425 22.013 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.299 12.320 24.744 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.725 12.928 22.469 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.398 12.875 23.832 1.00 50.00 C ATOM 0 H TRP A 59 -15.311 10.896 22.965 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.900 13.080 21.418 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.338 10.058 21.438 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.380 11.290 20.641 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.533 10.429 24.243 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.660 11.049 25.909 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.197 12.470 20.961 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.053 12.277 25.795 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.027 13.358 21.766 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.451 13.263 24.176 1.00 50.00 H new ATOM 861 N PRO A 60 -14.817 12.202 19.244 1.00 10.00 N ATOM 862 CA PRO A 60 -15.652 11.970 18.043 1.00 10.00 C ATOM 863 C PRO A 60 -15.477 10.534 17.542 1.00 10.00 C ATOM 864 O PRO A 60 -14.867 10.292 16.518 1.00 10.00 O ATOM 865 CB PRO A 60 -15.109 12.973 17.031 1.00 10.00 C ATOM 866 CG PRO A 60 -13.698 13.242 17.461 1.00 10.00 C ATOM 867 CD PRO A 60 -13.628 13.007 18.948 1.00 10.00 C ATOM 0 HA PRO A 60 -16.718 12.097 18.229 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.142 12.568 16.019 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.701 13.888 17.028 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.005 12.585 16.935 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.412 14.266 17.220 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.714 12.483 19.225 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.636 13.947 19.500 1.00 10.00 H new ATOM 875 N PHE A 61 -16.006 9.579 18.259 1.00 10.00 N ATOM 876 CA PHE A 61 -15.869 8.157 17.829 1.00 10.00 C ATOM 877 C PHE A 61 -17.213 7.629 17.315 1.00 10.00 C ATOM 878 O PHE A 61 -18.114 8.385 17.012 1.00 10.00 O ATOM 879 CB PHE A 61 -15.448 7.406 19.092 1.00 10.00 C ATOM 880 CG PHE A 61 -16.494 7.603 20.163 1.00 10.00 C ATOM 881 CD1 PHE A 61 -17.662 6.831 20.150 1.00 10.00 C ATOM 882 CD2 PHE A 61 -16.298 8.559 21.166 1.00 10.00 C ATOM 883 CE1 PHE A 61 -18.634 7.016 21.141 1.00 10.00 C ATOM 884 CE2 PHE A 61 -17.269 8.743 22.157 1.00 10.00 C ATOM 885 CZ PHE A 61 -18.438 7.972 22.144 1.00 10.00 C ATOM 0 H PHE A 61 -16.527 9.722 19.124 1.00 10.00 H new ATOM 0 HA PHE A 61 -15.149 8.035 17.020 1.00 10.00 H new ATOM 0 HB2 PHE A 61 -15.329 6.344 18.875 1.00 10.00 H new ATOM 0 HB3 PHE A 61 -14.482 7.770 19.440 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -17.813 6.093 19.376 1.00 10.00 H new ATOM 0 HD2 PHE A 61 -15.397 9.155 21.175 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -19.535 6.421 21.131 1.00 10.00 H new ATOM 0 HE2 PHE A 61 -17.117 9.480 22.932 1.00 10.00 H new ATOM 0 HZ PHE A 61 -19.188 8.115 22.908 1.00 10.00 H new ATOM 895 N SER A 62 -17.354 6.334 17.219 1.00 10.00 N ATOM 896 CA SER A 62 -18.639 5.753 16.730 1.00 10.00 C ATOM 897 C SER A 62 -18.841 6.068 15.244 1.00 10.00 C ATOM 898 O SER A 62 -19.940 5.997 14.732 1.00 10.00 O ATOM 899 CB SER A 62 -19.728 6.425 17.568 1.00 10.00 C ATOM 900 OG SER A 62 -20.729 5.472 17.895 1.00 10.00 O ATOM 0 H SER A 62 -16.634 5.652 17.458 1.00 10.00 H new ATOM 0 HA SER A 62 -18.657 4.668 16.829 1.00 10.00 H new ATOM 0 HB2 SER A 62 -19.296 6.842 18.478 1.00 10.00 H new ATOM 0 HB3 SER A 62 -20.168 7.255 17.015 1.00 10.00 H new ATOM 0 HG SER A 62 -21.426 5.902 18.433 1.00 10.00 H new ATOM 906 N CYS A 63 -17.793 6.414 14.546 1.00 10.00 N ATOM 907 CA CYS A 63 -17.944 6.729 13.097 1.00 10.00 C ATOM 908 C CYS A 63 -18.239 5.451 12.306 1.00 10.00 C ATOM 909 O CYS A 63 -17.457 5.025 11.480 1.00 10.00 O ATOM 910 CB CYS A 63 -16.605 7.335 12.669 1.00 10.00 C ATOM 911 SG CYS A 63 -15.254 6.208 13.094 1.00 10.00 S ATOM 0 H CYS A 63 -16.845 6.492 14.914 1.00 10.00 H new ATOM 0 HA CYS A 63 -18.771 7.415 12.911 1.00 10.00 H new ATOM 0 HB2 CYS A 63 -16.608 7.524 11.596 1.00 10.00 H new ATOM 0 HB3 CYS A 63 -16.457 8.296 13.162 1.00 10.00 H new ATOM 916 N ARG A 64 -19.365 4.838 12.555 1.00 10.00 N ATOM 917 CA ARG A 64 -19.714 3.590 11.818 1.00 10.00 C ATOM 918 C ARG A 64 -20.076 3.921 10.368 1.00 10.00 C ATOM 919 O ARG A 64 -20.132 3.055 9.518 1.00 10.00 O ATOM 920 CB ARG A 64 -20.927 3.022 12.554 1.00 10.00 C ATOM 921 CG ARG A 64 -20.466 2.308 13.826 1.00 10.00 C ATOM 922 CD ARG A 64 -20.267 0.820 13.531 1.00 10.00 C ATOM 923 NE ARG A 64 -18.828 0.695 13.166 1.00 10.00 N ATOM 924 CZ ARG A 64 -18.310 -0.483 12.950 1.00 10.00 C ATOM 925 NH1 ARG A 64 -18.103 -0.890 11.728 1.00 10.00 N ATOM 926 NH2 ARG A 64 -17.997 -1.253 13.956 1.00 10.00 N ATOM 0 H ARG A 64 -20.058 5.148 13.237 1.00 10.00 H new ATOM 0 HA ARG A 64 -18.886 2.881 11.788 1.00 10.00 H new ATOM 0 HB2 ARG A 64 -21.621 3.824 12.806 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -21.464 2.327 11.909 1.00 10.00 H new ATOM 0 HG2 ARG A 64 -19.535 2.746 14.185 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -21.205 2.437 14.617 1.00 10.00 H new ATOM 0 HD2 ARG A 64 -20.510 0.208 14.400 1.00 10.00 H new ATOM 0 HD3 ARG A 64 -20.912 0.488 12.717 1.00 10.00 H new ATOM 0 HE ARG A 64 -18.248 1.530 13.085 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -18.346 -0.287 10.942 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -17.698 -1.811 11.559 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -18.157 -0.934 14.912 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -17.592 -2.174 13.787 1.00 10.00 H new ATOM 940 N ALA A 65 -20.325 5.169 10.081 1.00 10.00 N ATOM 941 CA ALA A 65 -20.687 5.556 8.688 1.00 10.00 C ATOM 942 C ALA A 65 -20.421 7.048 8.467 1.00 10.00 C ATOM 943 O ALA A 65 -19.974 7.746 9.355 1.00 10.00 O ATOM 944 CB ALA A 65 -22.181 5.255 8.572 1.00 10.00 C ATOM 0 H ALA A 65 -20.293 5.938 10.751 1.00 10.00 H new ATOM 0 HA ALA A 65 -20.102 5.016 7.943 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -22.528 5.513 7.571 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -22.354 4.194 8.753 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -22.729 5.843 9.309 1.00 10.00 H new ATOM 950 N GLY A 66 -20.695 7.541 7.291 1.00 10.00 N ATOM 951 CA GLY A 66 -20.460 8.987 7.017 1.00 10.00 C ATOM 952 C GLY A 66 -19.090 9.164 6.360 1.00 10.00 C ATOM 953 O GLY A 66 -18.949 9.057 5.158 1.00 10.00 O ATOM 0 H GLY A 66 -21.071 7.006 6.508 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -21.241 9.376 6.364 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -20.507 9.557 7.945 1.00 10.00 H new ATOM 957 N ALA A 67 -18.078 9.434 7.139 1.00 10.00 N ATOM 958 CA ALA A 67 -16.718 9.617 6.555 1.00 10.00 C ATOM 959 C ALA A 67 -15.715 9.993 7.649 1.00 10.00 C ATOM 960 O ALA A 67 -15.614 11.136 8.046 1.00 10.00 O ATOM 961 CB ALA A 67 -16.871 10.761 5.552 1.00 10.00 C ATOM 0 H ALA A 67 -18.133 9.536 8.152 1.00 10.00 H new ATOM 0 HA ALA A 67 -16.345 8.707 6.085 1.00 10.00 H new ATOM 0 HB1 ALA A 67 -15.910 10.959 5.077 1.00 10.00 H new ATOM 0 HB2 ALA A 67 -17.602 10.483 4.792 1.00 10.00 H new ATOM 0 HB3 ALA A 67 -17.210 11.657 6.071 1.00 10.00 H new ATOM 967 N CYS A 68 -14.970 9.038 8.137 1.00 10.00 N ATOM 968 CA CYS A 68 -13.970 9.342 9.202 1.00 10.00 C ATOM 969 C CYS A 68 -12.626 8.690 8.858 1.00 10.00 C ATOM 970 O CYS A 68 -11.804 9.269 8.175 1.00 10.00 O ATOM 971 CB CYS A 68 -14.563 8.750 10.484 1.00 10.00 C ATOM 972 SG CYS A 68 -13.461 9.094 11.880 1.00 10.00 S ATOM 0 H CYS A 68 -15.010 8.062 7.845 1.00 10.00 H new ATOM 0 HA CYS A 68 -13.780 10.410 9.308 1.00 10.00 H new ATOM 0 HB2 CYS A 68 -15.548 9.177 10.672 1.00 10.00 H new ATOM 0 HB3 CYS A 68 -14.698 7.674 10.371 1.00 10.00 H new ATOM 977 N ALA A 69 -12.396 7.487 9.314 1.00 10.00 N ATOM 978 CA ALA A 69 -11.108 6.802 9.001 1.00 10.00 C ATOM 979 C ALA A 69 -9.918 7.631 9.495 1.00 10.00 C ATOM 980 O ALA A 69 -8.785 7.375 9.139 1.00 10.00 O ATOM 981 CB ALA A 69 -11.083 6.690 7.477 1.00 25.00 C ATOM 0 H ALA A 69 -13.044 6.949 9.889 1.00 10.00 H new ATOM 0 HA ALA A 69 -11.034 5.830 9.489 1.00 10.00 H new ATOM 0 HB1 ALA A 69 -10.164 6.195 7.164 1.00 25.00 H new ATOM 0 HB2 ALA A 69 -11.941 6.108 7.141 1.00 25.00 H new ATOM 0 HB3 ALA A 69 -11.126 7.687 7.038 1.00 25.00 H new ATOM 987 N ASN A 70 -10.159 8.619 10.314 1.00 10.00 N ATOM 988 CA ASN A 70 -9.029 9.449 10.820 1.00 10.00 C ATOM 989 C ASN A 70 -9.391 10.081 12.166 1.00 10.00 C ATOM 990 O ASN A 70 -8.769 11.028 12.606 1.00 10.00 O ATOM 991 CB ASN A 70 -8.820 10.527 9.756 1.00 50.00 C ATOM 992 CG ASN A 70 -7.433 10.360 9.130 1.00 50.00 C ATOM 993 OD1 ASN A 70 -6.464 10.131 9.827 1.00 50.00 O ATOM 994 ND2 ASN A 70 -7.296 10.462 7.837 1.00 50.00 N ATOM 0 H ASN A 70 -11.083 8.886 10.653 1.00 10.00 H new ATOM 0 HA ASN A 70 -8.127 8.859 10.984 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -9.590 10.450 8.988 1.00 50.00 H new ATOM 0 HB3 ASN A 70 -8.913 11.517 10.202 1.00 50.00 H new ATOM 0 HD21 ASN A 70 -6.376 10.350 7.411 1.00 50.00 H new ATOM 0 HD22 ASN A 70 -8.109 10.654 7.252 1.00 50.00 H new ATOM 1001 N CYS A 71 -10.389 9.560 12.825 1.00 10.00 N ATOM 1002 CA CYS A 71 -10.788 10.123 14.149 1.00 10.00 C ATOM 1003 C CYS A 71 -10.767 11.655 14.097 1.00 10.00 C ATOM 1004 O CYS A 71 -11.187 12.257 13.127 1.00 10.00 O ATOM 1005 CB CYS A 71 -9.747 9.601 15.144 1.00 10.00 C ATOM 1006 SG CYS A 71 -9.388 7.853 14.813 1.00 10.00 S ATOM 0 H CYS A 71 -10.947 8.768 12.505 1.00 10.00 H new ATOM 0 HA CYS A 71 -11.798 9.827 14.434 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -8.832 10.189 15.067 1.00 10.00 H new ATOM 0 HB3 CYS A 71 -10.116 9.718 16.163 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.287 12.295 15.131 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.248 13.787 15.127 1.00 10.00 C ATOM 1013 C ALA A 72 -9.385 14.306 16.282 1.00 10.00 C ATOM 1014 O ALA A 72 -9.885 14.842 17.251 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.702 14.220 15.309 1.00 10.00 C ATOM 0 H ALA A 72 -9.922 11.852 15.974 1.00 10.00 H new ATOM 0 HA ALA A 72 -9.813 14.183 14.209 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.759 15.308 15.317 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.303 13.831 14.487 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.082 13.830 16.253 1.00 10.00 H new ATOM 1021 N SER A 73 -8.092 14.158 16.182 1.00 10.00 N ATOM 1022 CA SER A 73 -7.195 14.649 17.269 1.00 10.00 C ATOM 1023 C SER A 73 -5.874 15.135 16.671 1.00 10.00 C ATOM 1024 O SER A 73 -5.097 14.358 16.156 1.00 10.00 O ATOM 1025 CB SER A 73 -6.961 13.436 18.171 1.00 50.00 C ATOM 1026 OG SER A 73 -7.948 12.451 17.906 1.00 50.00 O ATOM 0 H SER A 73 -7.617 13.718 15.394 1.00 10.00 H new ATOM 0 HA SER A 73 -7.627 15.485 17.819 1.00 10.00 H new ATOM 0 HB2 SER A 73 -5.966 13.026 17.996 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.002 13.735 19.218 1.00 50.00 H new ATOM 0 HG SER A 73 -7.521 11.654 17.528 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.611 16.411 16.735 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.338 16.934 16.164 1.00 10.00 C ATOM 1034 C ILE A 74 -3.202 16.766 17.173 1.00 10.00 C ATOM 1035 O ILE A 74 -3.008 17.586 18.047 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.601 18.415 15.890 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.862 18.559 15.036 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.409 19.014 15.143 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.674 17.806 13.717 1.00 10.00 C ATOM 0 H ILE A 74 -6.220 17.112 17.156 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.042 16.403 15.260 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.740 18.941 16.835 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.725 18.164 15.573 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.063 19.612 14.840 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.596 20.070 14.947 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.510 18.911 15.750 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.271 18.489 14.198 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.572 17.908 13.108 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.822 18.222 13.179 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.494 16.751 13.923 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.454 15.704 17.062 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.335 15.483 18.023 1.00 10.00 C ATOM 1053 C VAL A 75 -0.309 16.621 17.917 1.00 10.00 C ATOM 1054 O VAL A 75 0.326 16.808 16.899 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.737 14.116 17.633 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.657 14.272 17.010 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -0.629 13.255 18.889 1.00 50.00 C ATOM 0 H VAL A 75 -2.567 14.982 16.351 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.664 15.480 19.062 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.389 13.649 16.895 1.00 50.00 H new ATOM 0 HG11 VAL A 75 1.050 13.290 16.747 1.00 50.00 H new ATOM 0 HG12 VAL A 75 0.588 14.888 16.113 1.00 50.00 H new ATOM 0 HG13 VAL A 75 1.325 14.749 17.727 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -0.207 12.284 18.629 1.00 50.00 H new ATOM 0 HG22 VAL A 75 0.017 13.749 19.614 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -1.620 13.116 19.321 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.146 17.386 18.961 1.00 10.00 N ATOM 1068 CA LYS A 76 0.834 18.505 18.908 1.00 10.00 C ATOM 1069 C LYS A 76 2.238 18.006 19.259 1.00 10.00 C ATOM 1070 O LYS A 76 3.214 18.714 19.107 1.00 10.00 O ATOM 1071 CB LYS A 76 0.344 19.512 19.949 1.00 25.00 C ATOM 1072 CG LYS A 76 0.156 20.877 19.285 1.00 25.00 C ATOM 1073 CD LYS A 76 0.892 21.945 20.095 1.00 50.00 C ATOM 1074 CE LYS A 76 2.311 22.112 19.546 1.00 50.00 C ATOM 1075 NZ LYS A 76 3.150 22.402 20.743 1.00 50.00 N ATOM 0 H LYS A 76 -0.647 17.285 19.844 1.00 10.00 H new ATOM 0 HA LYS A 76 0.899 18.946 17.913 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.597 19.174 20.384 1.00 25.00 H new ATOM 0 HB3 LYS A 76 1.063 19.588 20.765 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.538 20.852 18.264 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.905 21.120 19.223 1.00 25.00 H new ATOM 0 HD2 LYS A 76 0.355 22.892 20.041 1.00 50.00 H new ATOM 0 HD3 LYS A 76 0.928 21.659 21.146 1.00 50.00 H new ATOM 0 HE2 LYS A 76 2.647 21.209 19.037 1.00 50.00 H new ATOM 0 HE3 LYS A 76 2.362 22.924 18.821 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 4.147 22.480 20.458 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 2.843 23.297 21.174 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 3.047 21.632 21.434 1.00 50.00 H new ATOM 1089 N GLU A 77 2.353 16.793 19.728 1.00 10.00 N ATOM 1090 CA GLU A 77 3.700 16.261 20.085 1.00 10.00 C ATOM 1091 C GLU A 77 3.588 14.822 20.598 1.00 10.00 C ATOM 1092 O GLU A 77 2.569 14.417 21.121 1.00 10.00 O ATOM 1093 CB GLU A 77 4.208 17.187 21.190 1.00 10.00 C ATOM 1094 CG GLU A 77 5.734 17.281 21.118 1.00 10.00 C ATOM 1095 CD GLU A 77 6.317 17.195 22.530 1.00 25.00 C ATOM 1096 OE1 GLU A 77 5.638 16.672 23.399 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.431 17.655 22.719 1.00 25.00 O ATOM 0 H GLU A 77 1.576 16.149 19.879 1.00 10.00 H new ATOM 0 HA GLU A 77 4.374 16.237 19.229 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.767 18.178 21.080 1.00 10.00 H new ATOM 0 HB3 GLU A 77 3.902 16.808 22.165 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.130 16.475 20.500 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.030 18.219 20.647 1.00 10.00 H new ATOM 1104 N GLY A 78 4.630 14.049 20.453 1.00 10.00 N ATOM 1105 CA GLY A 78 4.585 12.639 20.933 1.00 10.00 C ATOM 1106 C GLY A 78 4.340 11.704 19.747 1.00 10.00 C ATOM 1107 O GLY A 78 4.347 12.118 18.606 1.00 10.00 O ATOM 0 H GLY A 78 5.510 14.333 20.023 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.523 12.381 21.425 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.793 12.521 21.673 1.00 10.00 H new ATOM 1111 N GLU A 79 4.122 10.443 20.009 1.00 10.00 N ATOM 1112 CA GLU A 79 3.875 9.482 18.896 1.00 10.00 C ATOM 1113 C GLU A 79 2.751 8.515 19.275 1.00 10.00 C ATOM 1114 O GLU A 79 2.328 8.455 20.412 1.00 10.00 O ATOM 1115 CB GLU A 79 5.192 8.729 18.720 1.00 25.00 C ATOM 1116 CG GLU A 79 6.069 9.463 17.704 1.00 25.00 C ATOM 1117 CD GLU A 79 5.820 8.889 16.309 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.451 7.899 15.976 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.003 9.448 15.596 1.00 50.00 O ATOM 0 H GLU A 79 4.104 10.037 20.945 1.00 10.00 H new ATOM 0 HA GLU A 79 3.568 9.984 17.978 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.710 8.653 19.676 1.00 25.00 H new ATOM 0 HB3 GLU A 79 4.999 7.711 18.381 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.844 10.529 17.716 1.00 25.00 H new ATOM 0 HG3 GLU A 79 7.120 9.356 17.971 1.00 25.00 H new ATOM 1126 N ILE A 80 2.264 7.756 18.333 1.00 10.00 N ATOM 1127 CA ILE A 80 1.167 6.796 18.643 1.00 10.00 C ATOM 1128 C ILE A 80 1.455 5.436 18.002 1.00 10.00 C ATOM 1129 O ILE A 80 1.910 5.350 16.878 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.088 7.420 18.034 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.224 8.866 18.520 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.317 6.618 18.464 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.537 9.457 18.005 1.00 50.00 C ATOM 0 H ILE A 80 2.578 7.759 17.362 1.00 10.00 H new ATOM 0 HA ILE A 80 1.059 6.625 19.714 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.010 7.408 16.947 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.201 8.898 19.609 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.618 9.460 18.166 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.212 7.063 18.030 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.219 5.589 18.118 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.397 6.630 19.551 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.633 10.486 18.351 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.541 9.439 16.915 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.373 8.868 18.381 1.00 50.00 H new ATOM 1145 N ASP A 81 1.191 4.371 18.709 1.00 10.00 N ATOM 1146 CA ASP A 81 1.448 3.016 18.144 1.00 10.00 C ATOM 1147 C ASP A 81 0.131 2.248 18.004 1.00 10.00 C ATOM 1148 O ASP A 81 -0.660 2.182 18.923 1.00 10.00 O ATOM 1149 CB ASP A 81 2.365 2.331 19.158 1.00 10.00 C ATOM 1150 CG ASP A 81 2.375 0.822 18.902 1.00 10.00 C ATOM 1151 OD1 ASP A 81 2.518 0.436 17.754 1.00 10.00 O ATOM 1152 OD2 ASP A 81 2.238 0.078 19.860 1.00 10.00 O ATOM 0 H ASP A 81 0.808 4.381 19.654 1.00 10.00 H new ATOM 0 HA ASP A 81 1.899 3.058 17.153 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.376 2.731 19.078 1.00 10.00 H new ATOM 0 HB3 ASP A 81 2.021 2.536 20.172 1.00 10.00 H new ATOM 1157 N MET A 82 -0.110 1.667 16.861 1.00 12.50 N ATOM 1158 CA MET A 82 -1.376 0.906 16.664 1.00 12.50 C ATOM 1159 C MET A 82 -1.085 -0.442 16.000 1.00 12.50 C ATOM 1160 O MET A 82 0.053 -0.804 15.778 1.00 12.50 O ATOM 1161 CB MET A 82 -2.226 1.782 15.745 1.00 12.50 C ATOM 1162 CG MET A 82 -3.301 2.493 16.568 1.00 12.50 C ATOM 1163 SD MET A 82 -3.609 4.135 15.870 1.00 12.50 S ATOM 1164 CE MET A 82 -5.130 3.722 14.981 1.00 50.00 C ATOM 0 H MET A 82 0.515 1.686 16.055 1.00 12.50 H new ATOM 0 HA MET A 82 -1.881 0.694 17.607 1.00 12.50 H new ATOM 0 HB2 MET A 82 -1.597 2.514 15.239 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.690 1.172 14.971 1.00 12.50 H new ATOM 0 HG2 MET A 82 -4.221 1.908 16.568 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.980 2.582 17.606 1.00 12.50 H new ATOM 0 HE1 MET A 82 -5.503 4.608 14.467 1.00 50.00 H new ATOM 0 HE2 MET A 82 -4.924 2.939 14.251 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.881 3.370 15.689 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.107 -1.186 15.677 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.887 -2.507 15.022 1.00 50.00 C ATOM 1176 C ASP A 83 -2.506 -2.505 13.623 1.00 50.00 C ATOM 1177 O ASP A 83 -3.111 -1.540 13.202 1.00 50.00 O ATOM 1178 CB ASP A 83 -2.592 -3.521 15.924 1.00 50.00 C ATOM 1179 CG ASP A 83 -1.999 -4.912 15.684 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -1.040 -5.250 16.357 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -2.516 -5.614 14.831 1.00 50.00 O ATOM 0 H ASP A 83 -3.083 -0.937 15.838 1.00 50.00 H new ATOM 0 HA ASP A 83 -0.829 -2.741 14.902 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -2.473 -3.238 16.970 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.662 -3.528 15.715 1.00 50.00 H new ATOM 1186 N MET A 84 -2.357 -3.578 12.895 1.00 50.00 N ATOM 1187 CA MET A 84 -2.937 -3.633 11.522 1.00 50.00 C ATOM 1188 C MET A 84 -4.460 -3.479 11.582 1.00 50.00 C ATOM 1189 O MET A 84 -5.166 -4.368 12.015 1.00 50.00 O ATOM 1190 CB MET A 84 -2.555 -5.015 10.989 1.00 50.00 C ATOM 1191 CG MET A 84 -3.337 -5.299 9.705 1.00 50.00 C ATOM 1192 SD MET A 84 -2.289 -6.219 8.551 1.00 50.00 S ATOM 1193 CE MET A 84 -2.135 -7.726 9.539 1.00 50.00 C ATOM 0 H MET A 84 -1.860 -4.418 13.191 1.00 50.00 H new ATOM 0 HA MET A 84 -2.565 -2.832 10.883 1.00 50.00 H new ATOM 0 HB2 MET A 84 -1.484 -5.058 10.792 1.00 50.00 H new ATOM 0 HB3 MET A 84 -2.772 -5.778 11.736 1.00 50.00 H new ATOM 0 HG2 MET A 84 -4.236 -5.872 9.933 1.00 50.00 H new ATOM 0 HG3 MET A 84 -3.663 -4.363 9.250 1.00 50.00 H new ATOM 0 HE1 MET A 84 -1.769 -8.538 8.910 1.00 50.00 H new ATOM 0 HE2 MET A 84 -1.434 -7.555 10.356 1.00 50.00 H new ATOM 0 HE3 MET A 84 -3.109 -7.994 9.947 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.970 -2.357 11.149 1.00 16.66 N ATOM 1204 CA GLN A 85 -6.447 -2.146 11.182 1.00 16.66 C ATOM 1205 C GLN A 85 -6.803 -0.786 10.574 1.00 16.66 C ATOM 1206 O GLN A 85 -6.223 0.227 10.914 1.00 16.66 O ATOM 1207 CB GLN A 85 -6.823 -2.183 12.664 1.00 16.66 C ATOM 1208 CG GLN A 85 -8.094 -3.015 12.847 1.00 16.66 C ATOM 1209 CD GLN A 85 -9.135 -2.197 13.614 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -10.310 -2.242 13.304 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -8.753 -1.445 14.609 1.00 16.66 N ATOM 0 H GLN A 85 -4.429 -1.578 10.774 1.00 16.66 H new ATOM 0 HA GLN A 85 -6.982 -2.902 10.607 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -6.008 -2.612 13.246 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -6.982 -1.171 13.035 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -8.491 -3.309 11.876 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -7.866 -3.932 13.389 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -7.768 -1.406 14.870 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -9.440 -0.896 15.126 1.00 16.66 H new ATOM 1220 N GLN A 86 -7.754 -0.754 9.681 1.00 16.66 N ATOM 1221 CA GLN A 86 -8.148 0.542 9.056 1.00 16.66 C ATOM 1222 C GLN A 86 -7.002 1.092 8.203 1.00 16.66 C ATOM 1223 O GLN A 86 -6.213 0.351 7.652 1.00 16.66 O ATOM 1224 CB GLN A 86 -8.439 1.476 10.229 1.00 16.66 C ATOM 1225 CG GLN A 86 -9.595 2.408 9.864 1.00 16.66 C ATOM 1226 CD GLN A 86 -10.914 1.795 10.339 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -10.937 0.688 10.841 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -12.021 2.472 10.201 1.00 50.00 N ATOM 0 H GLN A 86 -8.275 -1.568 9.357 1.00 16.66 H new ATOM 0 HA GLN A 86 -9.009 0.435 8.396 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -8.692 0.895 11.116 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -7.551 2.059 10.473 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -9.448 3.385 10.326 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -9.622 2.566 8.786 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -12.002 3.401 9.780 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -12.906 2.072 10.514 1.00 50.00 H new ATOM 1237 N ILE A 87 -6.906 2.390 8.091 1.00 12.50 N ATOM 1238 CA ILE A 87 -5.812 2.990 7.272 1.00 12.50 C ATOM 1239 C ILE A 87 -5.242 4.227 7.972 1.00 12.50 C ATOM 1240 O ILE A 87 -5.970 5.095 8.412 1.00 12.50 O ATOM 1241 CB ILE A 87 -6.475 3.382 5.952 1.00 50.00 C ATOM 1242 CG1 ILE A 87 -5.413 3.887 4.973 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -7.498 4.492 6.207 1.00 50.00 C ATOM 1244 CD1 ILE A 87 -4.291 2.854 4.856 1.00 50.00 C ATOM 0 H ILE A 87 -7.537 3.060 8.530 1.00 12.50 H new ATOM 0 HA ILE A 87 -4.982 2.299 7.124 1.00 12.50 H new ATOM 0 HB ILE A 87 -6.976 2.512 5.527 1.00 50.00 H new ATOM 0 HG12 ILE A 87 -5.861 4.065 3.995 1.00 50.00 H new ATOM 0 HG13 ILE A 87 -5.010 4.839 5.317 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -7.972 4.773 5.267 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -8.257 4.135 6.903 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -6.995 5.360 6.633 1.00 50.00 H new ATOM 0 HD11 ILE A 87 -3.535 3.215 4.158 1.00 50.00 H new ATOM 0 HD12 ILE A 87 -3.837 2.698 5.834 1.00 50.00 H new ATOM 0 HD13 ILE A 87 -4.700 1.912 4.492 1.00 50.00 H new ATOM 1256 N LEU A 88 -3.945 4.315 8.073 1.00 12.50 N ATOM 1257 CA LEU A 88 -3.324 5.496 8.739 1.00 12.50 C ATOM 1258 C LEU A 88 -1.892 5.687 8.234 1.00 12.50 C ATOM 1259 O LEU A 88 -1.179 4.734 7.990 1.00 12.50 O ATOM 1260 CB LEU A 88 -3.330 5.165 10.233 1.00 12.50 C ATOM 1261 CG LEU A 88 -2.600 3.841 10.466 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -1.573 4.017 11.588 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -3.612 2.766 10.866 1.00 12.50 C ATOM 0 H LEU A 88 -3.286 3.619 7.723 1.00 12.50 H new ATOM 0 HA LEU A 88 -3.863 6.420 8.530 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -2.845 5.963 10.795 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -4.355 5.096 10.597 1.00 12.50 H new ATOM 0 HG LEU A 88 -2.091 3.539 9.551 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -1.052 3.074 11.755 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -0.853 4.785 11.305 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -2.082 4.318 12.504 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -3.093 1.822 11.032 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -4.120 3.067 11.782 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -4.345 2.642 10.069 1.00 12.50 H new ATOM 1275 N SER A 89 -1.467 6.909 8.069 1.00 12.50 N ATOM 1276 CA SER A 89 -0.082 7.155 7.574 1.00 12.50 C ATOM 1277 C SER A 89 0.632 8.168 8.473 1.00 12.50 C ATOM 1278 O SER A 89 0.010 8.993 9.110 1.00 12.50 O ATOM 1279 CB SER A 89 -0.263 7.720 6.165 1.00 12.50 C ATOM 1280 OG SER A 89 -1.032 8.912 6.230 1.00 12.50 O ATOM 0 H SER A 89 -2.017 7.747 8.255 1.00 12.50 H new ATOM 0 HA SER A 89 0.525 6.250 7.577 1.00 12.50 H new ATOM 0 HB2 SER A 89 0.709 7.925 5.716 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.760 6.988 5.529 1.00 12.50 H new ATOM 0 HG SER A 89 -1.175 9.259 5.325 1.00 12.50 H new ATOM 1286 N ASP A 90 1.935 8.110 8.529 1.00 10.00 N ATOM 1287 CA ASP A 90 2.687 9.070 9.389 1.00 10.00 C ATOM 1288 C ASP A 90 2.521 10.493 8.858 1.00 10.00 C ATOM 1289 O ASP A 90 2.301 11.425 9.605 1.00 10.00 O ATOM 1290 CB ASP A 90 4.147 8.627 9.297 1.00 10.00 C ATOM 1291 CG ASP A 90 4.960 9.324 10.390 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.400 9.585 11.443 1.00 10.00 O ATOM 1293 OD2 ASP A 90 6.129 9.584 10.158 1.00 10.00 O ATOM 0 H ASP A 90 2.511 7.441 8.018 1.00 10.00 H new ATOM 0 HA ASP A 90 2.329 9.072 10.418 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.218 7.545 9.410 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.552 8.872 8.315 1.00 10.00 H new ATOM 1298 N GLU A 91 2.619 10.667 7.570 1.00 12.50 N ATOM 1299 CA GLU A 91 2.458 12.031 6.993 1.00 12.50 C ATOM 1300 C GLU A 91 1.164 12.650 7.515 1.00 12.50 C ATOM 1301 O GLU A 91 1.008 13.855 7.561 1.00 12.50 O ATOM 1302 CB GLU A 91 2.386 11.821 5.481 1.00 12.50 C ATOM 1303 CG GLU A 91 1.249 10.852 5.155 1.00 12.50 C ATOM 1304 CD GLU A 91 0.891 10.966 3.672 1.00 50.00 C ATOM 1305 OE1 GLU A 91 1.000 12.058 3.140 1.00 50.00 O ATOM 1306 OE2 GLU A 91 0.515 9.959 3.095 1.00 50.00 O ATOM 0 H GLU A 91 2.803 9.926 6.893 1.00 12.50 H new ATOM 0 HA GLU A 91 3.273 12.702 7.263 1.00 12.50 H new ATOM 0 HB2 GLU A 91 2.222 12.774 4.978 1.00 12.50 H new ATOM 0 HB3 GLU A 91 3.332 11.425 5.112 1.00 12.50 H new ATOM 0 HG2 GLU A 91 1.549 9.831 5.390 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.377 11.078 5.769 1.00 12.50 H new ATOM 1313 N GLU A 92 0.236 11.827 7.918 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.051 12.352 8.451 1.00 10.00 C ATOM 1315 C GLU A 92 -0.844 12.875 9.873 1.00 10.00 C ATOM 1316 O GLU A 92 -1.332 13.926 10.238 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.998 11.152 8.455 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.247 11.480 7.637 1.00 50.00 C ATOM 1319 CD GLU A 92 -2.837 11.898 6.223 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -2.298 11.065 5.514 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -3.069 13.044 5.874 1.00 50.00 O ATOM 0 H GLU A 92 0.314 10.810 7.901 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.445 13.176 7.856 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.496 10.279 8.037 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.277 10.900 9.478 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.905 10.612 7.595 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.808 12.282 8.116 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.119 12.145 10.679 1.00 10.00 N ATOM 1329 CA VAL A 93 0.124 12.596 12.078 1.00 10.00 C ATOM 1330 C VAL A 93 1.237 13.649 12.105 1.00 10.00 C ATOM 1331 O VAL A 93 1.423 14.347 13.082 1.00 10.00 O ATOM 1332 CB VAL A 93 0.551 11.332 12.833 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.020 11.018 12.538 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.370 11.553 14.336 1.00 10.00 C ATOM 0 H VAL A 93 0.315 11.257 10.428 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.756 13.056 12.527 1.00 10.00 H new ATOM 0 HB VAL A 93 -0.066 10.495 12.507 1.00 10.00 H new ATOM 0 HG11 VAL A 93 2.315 10.119 13.078 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.150 10.858 11.468 1.00 10.00 H new ATOM 0 HG13 VAL A 93 2.642 11.854 12.858 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.673 10.655 14.875 1.00 10.00 H new ATOM 0 HG22 VAL A 93 0.985 12.394 14.657 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.677 11.768 14.549 1.00 10.00 H new ATOM 1344 N GLU A 94 1.976 13.768 11.037 1.00 12.50 N ATOM 1345 CA GLU A 94 3.075 14.775 10.999 1.00 12.50 C ATOM 1346 C GLU A 94 2.569 16.081 10.384 1.00 12.50 C ATOM 1347 O GLU A 94 2.877 17.159 10.850 1.00 12.50 O ATOM 1348 CB GLU A 94 4.154 14.148 10.115 1.00 12.50 C ATOM 1349 CG GLU A 94 5.164 15.222 9.705 1.00 12.50 C ATOM 1350 CD GLU A 94 4.922 15.623 8.249 1.00 12.50 C ATOM 1351 OE1 GLU A 94 3.831 16.085 7.955 1.00 12.50 O ATOM 1352 OE2 GLU A 94 5.832 15.463 7.452 1.00 12.50 O ATOM 0 H GLU A 94 1.867 13.212 10.189 1.00 12.50 H new ATOM 0 HA GLU A 94 3.452 15.016 11.993 1.00 12.50 H new ATOM 0 HB2 GLU A 94 4.659 13.345 10.653 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.701 13.703 9.229 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.068 16.093 10.354 1.00 12.50 H new ATOM 0 HG3 GLU A 94 6.180 14.845 9.825 1.00 12.50 H new ATOM 1359 N GLU A 95 1.789 15.992 9.343 1.00 12.50 N ATOM 1360 CA GLU A 95 1.260 17.226 8.699 1.00 12.50 C ATOM 1361 C GLU A 95 -0.103 17.588 9.296 1.00 12.50 C ATOM 1362 O GLU A 95 -0.396 18.741 9.544 1.00 12.50 O ATOM 1363 CB GLU A 95 1.121 16.873 7.219 1.00 25.00 C ATOM 1364 CG GLU A 95 1.880 17.900 6.377 1.00 25.00 C ATOM 1365 CD GLU A 95 1.791 17.515 4.899 1.00 50.00 C ATOM 1366 OE1 GLU A 95 0.715 17.642 4.339 1.00 50.00 O ATOM 1367 OE2 GLU A 95 2.800 17.100 4.353 1.00 50.00 O ATOM 0 H GLU A 95 1.495 15.117 8.910 1.00 12.50 H new ATOM 0 HA GLU A 95 1.913 18.085 8.852 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.514 15.873 7.034 1.00 25.00 H new ATOM 0 HB3 GLU A 95 0.069 16.860 6.934 1.00 25.00 H new ATOM 0 HG2 GLU A 95 1.460 18.894 6.531 1.00 25.00 H new ATOM 0 HG3 GLU A 95 2.923 17.943 6.690 1.00 25.00 H new ATOM 1374 N LYS A 96 -0.937 16.612 9.531 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.278 16.903 10.114 1.00 25.00 C ATOM 1376 C LYS A 96 -2.313 16.496 11.592 1.00 25.00 C ATOM 1377 O LYS A 96 -3.136 16.963 12.355 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.258 16.058 9.297 1.00 25.00 C ATOM 1379 CG LYS A 96 -3.242 16.531 7.841 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.656 16.444 7.259 1.00 25.00 C ATOM 1381 CE LYS A 96 -4.630 16.874 5.791 1.00 25.00 C ATOM 1382 NZ LYS A 96 -5.545 18.047 5.720 1.00 25.00 N ATOM 0 H LYS A 96 -0.748 15.627 9.345 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.525 17.964 10.073 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.982 15.005 9.352 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.263 16.146 9.709 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -2.877 17.556 7.785 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -2.558 15.917 7.256 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.034 15.425 7.344 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -5.334 17.084 7.825 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -3.621 17.140 5.475 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -4.967 16.069 5.137 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -5.581 18.400 4.743 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -6.499 17.762 6.021 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -5.195 18.799 6.347 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.420 15.637 12.001 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.394 15.204 13.432 1.00 10.00 C ATOM 1398 C ASP A 97 -2.739 14.603 13.839 1.00 10.00 C ATOM 1399 O ASP A 97 -3.095 14.598 15.000 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.126 16.478 14.238 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.089 17.343 13.517 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.916 16.797 13.091 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.317 18.536 13.403 1.00 50.00 O ATOM 0 H ASP A 97 -0.706 15.215 11.408 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.636 14.440 13.604 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.052 17.038 14.368 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.767 16.220 15.234 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.493 14.101 12.904 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.814 13.511 13.262 1.00 10.00 C ATOM 1410 C VAL A 98 -4.670 12.019 13.578 1.00 10.00 C ATOM 1411 O VAL A 98 -4.154 11.255 12.787 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.691 13.717 12.026 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.950 12.856 12.146 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.089 15.191 11.918 1.00 50.00 C ATOM 0 H VAL A 98 -3.255 14.073 11.912 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.243 13.978 14.149 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.135 13.427 11.135 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.576 13.002 11.266 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.667 11.806 12.220 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.505 13.146 13.038 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.714 15.336 11.037 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.645 15.484 12.809 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.192 15.805 11.832 1.00 50.00 H new ATOM 1424 N ARG A 99 -5.125 11.600 14.729 1.00 10.00 N ATOM 1425 CA ARG A 99 -5.019 10.157 15.096 1.00 10.00 C ATOM 1426 C ARG A 99 -5.416 9.955 16.562 1.00 10.00 C ATOM 1427 O ARG A 99 -6.153 10.737 17.129 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.548 9.794 14.884 1.00 50.00 C ATOM 1429 CG ARG A 99 -3.451 8.622 13.905 1.00 50.00 C ATOM 1430 CD ARG A 99 -2.416 8.939 12.824 1.00 50.00 C ATOM 1431 NE ARG A 99 -1.103 8.610 13.446 1.00 50.00 N ATOM 1432 CZ ARG A 99 -0.559 7.441 13.242 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.320 7.287 12.291 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -0.895 6.427 13.992 1.00 50.00 N ATOM 0 H ARG A 99 -5.566 12.194 15.431 1.00 10.00 H new ATOM 0 HA ARG A 99 -5.680 9.531 14.497 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.002 10.654 14.495 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.087 9.527 15.835 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -3.169 7.713 14.437 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -4.423 8.435 13.448 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -2.588 8.346 11.926 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -2.462 9.987 12.528 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.629 9.298 14.031 1.00 50.00 H new ATOM 0 HH11 ARG A 99 0.583 8.080 11.706 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.745 6.373 12.132 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -1.582 6.549 14.736 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -0.471 5.513 13.834 1.00 50.00 H new ATOM 1448 N LEU A 100 -4.932 8.911 17.180 1.00 10.00 N ATOM 1449 CA LEU A 100 -5.281 8.659 18.610 1.00 10.00 C ATOM 1450 C LEU A 100 -6.767 8.310 18.740 1.00 10.00 C ATOM 1451 O LEU A 100 -7.377 7.801 17.821 1.00 10.00 O ATOM 1452 CB LEU A 100 -4.972 9.971 19.332 1.00 10.00 C ATOM 1453 CG LEU A 100 -4.508 9.676 20.760 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -3.023 9.309 20.750 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -4.721 10.916 21.631 1.00 10.00 C ATOM 0 H LEU A 100 -4.310 8.222 16.757 1.00 10.00 H new ATOM 0 HA LEU A 100 -4.722 7.823 19.029 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.199 10.520 18.794 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.859 10.605 19.351 1.00 10.00 H new ATOM 0 HG LEU A 100 -5.084 8.844 21.164 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.693 9.099 21.767 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -2.871 8.426 20.130 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -2.445 10.140 20.346 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -4.391 10.707 22.649 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -4.145 11.748 21.226 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -5.779 11.177 21.639 1.00 10.00 H new ATOM 1467 N THR A 101 -7.351 8.579 19.877 1.00 10.00 N ATOM 1468 CA THR A 101 -8.796 8.264 20.072 1.00 10.00 C ATOM 1469 C THR A 101 -9.055 6.775 19.825 1.00 10.00 C ATOM 1470 O THR A 101 -8.995 5.966 20.729 1.00 10.00 O ATOM 1471 CB THR A 101 -9.532 9.118 19.037 1.00 10.00 C ATOM 1472 OG1 THR A 101 -9.373 10.493 19.360 1.00 10.00 O ATOM 1473 CG2 THR A 101 -11.019 8.761 19.041 1.00 10.00 C ATOM 0 H THR A 101 -6.889 9.004 20.681 1.00 10.00 H new ATOM 0 HA THR A 101 -9.130 8.477 21.087 1.00 10.00 H new ATOM 0 HB THR A 101 -9.117 8.926 18.047 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.853 10.936 18.657 1.00 10.00 H new ATOM 0 HG21 THR A 101 -11.541 9.370 18.303 1.00 10.00 H new ATOM 0 HG22 THR A 101 -11.141 7.707 18.793 1.00 10.00 H new ATOM 0 HG23 THR A 101 -11.436 8.951 20.030 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.345 6.410 18.606 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.613 4.975 18.300 1.00 10.00 C ATOM 1483 C CYS A 102 -8.584 4.075 18.992 1.00 10.00 C ATOM 1484 O CYS A 102 -7.583 4.537 19.503 1.00 10.00 O ATOM 1485 CB CYS A 102 -9.487 4.868 16.781 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.136 4.948 16.037 1.00 10.00 S ATOM 0 H CYS A 102 -9.408 7.043 17.809 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.593 4.655 18.654 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -8.863 5.676 16.398 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -8.998 3.932 16.510 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.827 2.792 19.014 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.870 1.854 19.672 1.00 10.00 C ATOM 1493 C ILE A 103 -6.425 2.241 19.338 1.00 10.00 C ATOM 1494 O ILE A 103 -6.148 2.818 18.305 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.211 0.480 19.094 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.562 0.017 19.644 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.129 -0.528 19.490 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -9.832 -1.419 19.190 1.00 50.00 C ATOM 0 H ILE A 103 -9.650 2.351 18.603 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.952 1.873 20.759 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.262 0.548 18.007 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -9.562 0.072 20.733 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.355 0.676 19.292 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.374 -1.506 19.077 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.166 -0.200 19.099 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -7.075 -0.596 20.577 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -10.794 -1.750 19.581 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.850 -1.459 18.101 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.044 -2.073 19.564 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.502 1.924 20.206 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.075 2.271 19.940 1.00 10.00 C ATOM 1512 C GLY A 104 -3.422 2.773 21.230 1.00 10.00 C ATOM 1513 O GLY A 104 -4.078 3.303 22.105 1.00 10.00 O ATOM 0 H GLY A 104 -5.674 1.440 21.087 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.541 1.398 19.566 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.014 3.037 19.167 1.00 10.00 H new ATOM 1517 N SER A 105 -2.133 2.612 21.354 1.00 10.00 N ATOM 1518 CA SER A 105 -1.438 3.080 22.589 1.00 10.00 C ATOM 1519 C SER A 105 -0.426 4.175 22.244 1.00 10.00 C ATOM 1520 O SER A 105 -0.020 4.313 21.106 1.00 10.00 O ATOM 1521 CB SER A 105 -0.723 1.844 23.134 1.00 10.00 C ATOM 1522 OG SER A 105 0.487 1.642 22.419 1.00 10.00 O ATOM 0 H SER A 105 -1.531 2.177 20.655 1.00 10.00 H new ATOM 0 HA SER A 105 -2.130 3.505 23.316 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.513 1.971 24.196 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.365 0.968 23.038 1.00 10.00 H new ATOM 0 HG SER A 105 0.946 0.850 22.770 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.051 4.919 23.248 1.00 10.00 N ATOM 1529 CA PRO A 106 0.928 6.019 23.062 1.00 10.00 C ATOM 1530 C PRO A 106 2.331 5.451 22.824 1.00 10.00 C ATOM 1531 O PRO A 106 2.721 4.467 23.419 1.00 10.00 O ATOM 1532 CB PRO A 106 0.867 6.779 24.383 1.00 10.00 C ATOM 1533 CG PRO A 106 0.383 5.777 25.382 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.500 4.807 24.640 1.00 10.00 C ATOM 0 HA PRO A 106 0.706 6.650 22.202 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.846 7.171 24.659 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.190 7.631 24.318 1.00 10.00 H new ATOM 0 HG2 PRO A 106 1.222 5.258 25.845 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.170 6.267 26.183 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.384 3.791 25.017 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.554 5.066 24.743 1.00 10.00 H new ATOM 1542 N ALA A 107 3.089 6.065 21.957 1.00 10.00 N ATOM 1543 CA ALA A 107 4.466 5.561 21.681 1.00 10.00 C ATOM 1544 C ALA A 107 5.499 6.418 22.414 1.00 10.00 C ATOM 1545 O ALA A 107 6.594 5.976 22.704 1.00 10.00 O ATOM 1546 CB ALA A 107 4.638 5.691 20.169 1.00 50.00 C ATOM 0 H ALA A 107 2.815 6.893 21.428 1.00 10.00 H new ATOM 0 HA ALA A 107 4.607 4.535 22.021 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.630 5.339 19.884 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.881 5.091 19.664 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.526 6.736 19.879 1.00 50.00 H new ATOM 1552 N ALA A 108 5.163 7.643 22.713 1.00 10.00 N ATOM 1553 CA ALA A 108 6.130 8.528 23.425 1.00 10.00 C ATOM 1554 C ALA A 108 5.568 8.941 24.788 1.00 10.00 C ATOM 1555 O ALA A 108 4.378 9.135 24.948 1.00 10.00 O ATOM 1556 CB ALA A 108 6.287 9.750 22.521 1.00 50.00 C ATOM 0 H ALA A 108 4.262 8.069 22.496 1.00 10.00 H new ATOM 0 HA ALA A 108 7.082 8.031 23.611 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.986 10.452 22.976 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.669 9.437 21.549 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.319 10.234 22.392 1.00 50.00 H new ATOM 1562 N ASP A 109 6.415 9.080 25.770 1.00 50.00 N ATOM 1563 CA ASP A 109 5.931 9.485 27.121 1.00 50.00 C ATOM 1564 C ASP A 109 4.989 10.684 27.003 1.00 50.00 C ATOM 1565 O ASP A 109 3.785 10.556 27.114 1.00 50.00 O ATOM 1566 CB ASP A 109 7.193 9.871 27.893 1.00 50.00 C ATOM 1567 CG ASP A 109 7.826 8.616 28.497 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.089 7.697 28.810 1.00 50.00 O ATOM 1569 OD2 ASP A 109 9.039 8.596 28.637 1.00 50.00 O ATOM 0 H ASP A 109 7.421 8.931 25.696 1.00 50.00 H new ATOM 0 HA ASP A 109 5.376 8.690 27.618 1.00 50.00 H new ATOM 0 HB2 ASP A 109 7.902 10.365 27.228 1.00 50.00 H new ATOM 0 HB3 ASP A 109 6.947 10.582 28.681 1.00 50.00 H new ATOM 1574 N GLU A 110 5.527 11.850 26.775 1.00 10.00 N ATOM 1575 CA GLU A 110 4.667 13.060 26.645 1.00 10.00 C ATOM 1576 C GLU A 110 4.063 13.127 25.240 1.00 10.00 C ATOM 1577 O GLU A 110 4.754 12.986 24.251 1.00 10.00 O ATOM 1578 CB GLU A 110 5.610 14.239 26.884 1.00 10.00 C ATOM 1579 CG GLU A 110 6.800 14.145 25.928 1.00 10.00 C ATOM 1580 CD GLU A 110 8.056 13.754 26.710 1.00 50.00 C ATOM 1581 OE1 GLU A 110 8.287 14.342 27.754 1.00 50.00 O ATOM 1582 OE2 GLU A 110 8.765 12.874 26.251 1.00 50.00 O ATOM 0 H GLU A 110 6.528 12.018 26.673 1.00 10.00 H new ATOM 0 HA GLU A 110 3.834 13.057 27.348 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.080 15.179 26.730 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.959 14.235 27.917 1.00 10.00 H new ATOM 0 HG2 GLU A 110 6.598 13.407 25.151 1.00 10.00 H new ATOM 0 HG3 GLU A 110 6.954 15.101 25.427 1.00 10.00 H new ATOM 1589 N VAL A 111 2.778 13.339 25.143 1.00 10.00 N ATOM 1590 CA VAL A 111 2.137 13.411 23.798 1.00 10.00 C ATOM 1591 C VAL A 111 1.054 14.494 23.778 1.00 10.00 C ATOM 1592 O VAL A 111 -0.031 14.311 24.293 1.00 10.00 O ATOM 1593 CB VAL A 111 1.514 12.032 23.581 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.098 11.886 22.115 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.537 10.949 23.930 1.00 12.50 C ATOM 0 H VAL A 111 2.146 13.465 25.934 1.00 10.00 H new ATOM 0 HA VAL A 111 2.853 13.666 23.017 1.00 10.00 H new ATOM 0 HB VAL A 111 0.638 11.924 24.221 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.654 10.903 21.959 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.370 12.657 21.865 1.00 12.50 H new ATOM 0 HG13 VAL A 111 1.974 11.994 21.476 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.093 9.966 23.775 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.413 11.056 23.290 1.00 12.50 H new ATOM 0 HG23 VAL A 111 2.835 11.053 24.973 1.00 12.50 H new ATOM 1605 N LYS A 112 1.339 15.619 23.181 1.00 10.00 N ATOM 1606 CA LYS A 112 0.322 16.711 23.123 1.00 10.00 C ATOM 1607 C LYS A 112 -0.648 16.456 21.965 1.00 10.00 C ATOM 1608 O LYS A 112 -0.267 15.964 20.922 1.00 10.00 O ATOM 1609 CB LYS A 112 1.123 17.991 22.879 1.00 25.00 C ATOM 1610 CG LYS A 112 2.288 18.066 23.870 1.00 25.00 C ATOM 1611 CD LYS A 112 1.765 18.487 25.245 1.00 25.00 C ATOM 1612 CE LYS A 112 2.947 18.787 26.168 1.00 25.00 C ATOM 1613 NZ LYS A 112 3.068 20.275 26.170 1.00 25.00 N ATOM 0 H LYS A 112 2.230 15.830 22.731 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.272 16.774 24.035 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.501 18.006 21.857 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.478 18.863 22.994 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.783 17.097 23.939 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.032 18.780 23.518 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.130 19.368 25.151 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.149 17.695 25.670 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.770 18.404 27.173 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.861 18.317 25.804 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 3.900 20.555 26.728 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 3.175 20.616 25.193 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 2.213 20.692 26.590 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.900 16.783 22.138 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.889 16.555 21.044 1.00 10.00 C ATOM 1629 C ILE A 113 -4.129 17.428 21.255 1.00 10.00 C ATOM 1630 O ILE A 113 -4.429 17.842 22.358 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.244 15.070 21.145 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.315 14.721 20.098 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.758 14.762 22.556 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -5.715 15.053 20.626 1.00 10.00 C ATOM 0 H ILE A 113 -2.281 17.198 22.988 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.492 16.814 20.063 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.356 14.468 20.952 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.126 15.275 19.179 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.256 13.661 19.849 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.011 13.704 22.628 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.984 15.001 23.285 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.645 15.362 22.759 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -6.459 14.799 19.871 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -5.908 14.479 21.532 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -5.776 16.118 20.851 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.861 17.703 20.207 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.088 18.537 20.352 1.00 10.00 C ATOM 1648 C VAL A 114 -7.326 17.650 20.166 1.00 10.00 C ATOM 1649 O VAL A 114 -7.559 17.108 19.102 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.967 19.611 19.252 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.275 19.748 18.460 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -5.639 20.958 19.902 1.00 50.00 C ATOM 0 H VAL A 114 -4.661 17.386 19.258 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.188 19.001 21.333 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.176 19.310 18.565 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.157 20.513 17.692 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.517 18.795 17.989 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -8.081 20.033 19.136 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -5.552 21.723 19.130 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -6.435 21.231 20.595 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.697 20.881 20.444 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.115 17.498 21.194 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.331 16.643 21.080 1.00 10.00 C ATOM 1664 C TYR A 115 -10.496 17.467 20.512 1.00 10.00 C ATOM 1665 O TYR A 115 -10.508 18.679 20.595 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.593 16.147 22.518 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.864 16.736 23.093 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.860 18.031 23.629 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.043 15.981 23.098 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -12.035 18.569 24.165 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.218 16.519 23.636 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.214 17.813 24.170 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.372 18.344 24.699 1.00 50.00 O ATOM 0 H TYR A 115 -7.971 17.928 22.107 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.211 15.801 20.398 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.663 15.059 22.520 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.749 16.413 23.154 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.950 18.613 23.628 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.046 14.983 22.686 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -12.033 19.568 24.575 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.127 15.936 23.639 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.257 18.486 25.662 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.467 16.817 19.925 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.624 17.557 19.338 1.00 10.00 C ATOM 1685 C ASN A 116 -12.183 18.285 18.065 1.00 10.00 C ATOM 1686 O ASN A 116 -12.588 19.400 17.802 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.058 18.563 20.410 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.583 18.551 20.535 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.286 18.438 19.551 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.129 18.666 21.715 1.00 10.00 N ATOM 0 H ASN A 116 -11.509 15.803 19.827 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.441 16.890 19.064 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.602 18.310 21.367 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.712 19.563 20.147 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.145 18.661 21.810 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.540 18.761 22.542 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.356 17.660 17.271 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.890 18.313 16.015 1.00 10.00 C ATOM 1699 C ALA A 117 -12.070 18.526 15.066 1.00 10.00 C ATOM 1700 O ALA A 117 -11.965 19.218 14.072 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.884 17.335 15.406 1.00 50.00 C ATOM 0 H ALA A 117 -10.983 16.725 17.438 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.445 19.291 16.198 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.495 17.746 14.475 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.062 17.176 16.104 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.377 16.384 15.204 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.195 17.937 15.364 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.381 18.108 14.478 1.00 12.50 C ATOM 1709 C LYS A 118 -14.768 19.587 14.393 1.00 12.50 C ATOM 1710 O LYS A 118 -15.544 19.988 13.549 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.493 17.296 15.143 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.814 17.895 16.514 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.269 18.369 16.534 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.200 17.166 16.370 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.974 17.106 17.643 1.00 50.00 N ATOM 0 H LYS A 118 -13.344 17.345 16.181 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.188 17.773 13.459 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.384 17.299 14.516 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.183 16.257 15.252 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.651 17.152 17.295 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.145 18.730 16.724 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.482 18.882 17.472 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.440 19.087 15.732 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -18.860 17.291 15.512 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.635 16.248 16.207 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.637 16.305 17.609 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.229 20.400 15.261 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.560 21.853 15.231 1.00 50.00 C ATOM 1728 C HIS A 119 -13.832 22.535 14.071 1.00 50.00 C ATOM 1729 O HIS A 119 -14.277 23.539 13.551 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.055 22.396 16.567 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.932 21.890 17.679 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.288 22.167 17.734 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.660 21.125 18.786 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.777 21.576 18.840 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.826 20.927 19.517 1.00 50.00 N ATOM 0 H HIS A 119 -13.573 20.120 15.990 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.626 22.033 15.090 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.024 22.083 16.732 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.059 23.486 16.554 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.819 22.718 17.060 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.688 20.736 19.049 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.813 21.621 19.143 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.714 21.996 13.665 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.949 22.607 12.540 1.00 12.50 C ATOM 1745 C LEU A 120 -12.904 23.076 11.440 1.00 12.50 C ATOM 1746 O LEU A 120 -13.854 22.400 11.101 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.048 21.485 12.024 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.585 21.826 12.318 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.962 20.711 13.159 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.818 21.962 11.001 1.00 12.50 C ATOM 0 H LEU A 120 -12.296 21.156 14.065 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.378 23.480 12.855 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.315 20.542 12.501 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.193 21.352 10.952 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.534 22.767 12.866 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.920 20.953 13.369 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.508 20.614 14.097 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.013 19.770 12.611 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.776 22.205 11.210 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.868 21.022 10.452 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.262 22.756 10.401 1.00 12.50 H new ATOM 1762 N ASP A 121 -12.662 24.231 10.882 1.00 50.00 N ATOM 1763 CA ASP A 121 -13.562 24.739 9.806 1.00 50.00 C ATOM 1764 C ASP A 121 -13.765 23.661 8.738 1.00 50.00 C ATOM 1765 O ASP A 121 -14.877 23.330 8.381 1.00 50.00 O ATOM 1766 CB ASP A 121 -12.837 25.951 9.219 1.00 50.00 C ATOM 1767 CG ASP A 121 -13.690 27.205 9.426 1.00 50.00 C ATOM 1768 OD1 ASP A 121 -14.624 27.139 10.208 1.00 50.00 O ATOM 1769 OD2 ASP A 121 -13.394 28.209 8.800 1.00 50.00 O ATOM 0 H ASP A 121 -11.883 24.843 11.123 1.00 50.00 H new ATOM 0 HA ASP A 121 -14.550 25.003 10.183 1.00 50.00 H new ATOM 0 HB2 ASP A 121 -11.866 26.075 9.699 1.00 50.00 H new ATOM 0 HB3 ASP A 121 -12.650 25.797 8.156 1.00 50.00 H new ATOM 1774 N TYR A 122 -12.697 23.108 8.231 1.00 16.66 N ATOM 1775 CA TYR A 122 -12.829 22.049 7.190 1.00 16.66 C ATOM 1776 C TYR A 122 -13.625 20.868 7.750 1.00 16.66 C ATOM 1777 O TYR A 122 -14.322 20.176 7.033 1.00 16.66 O ATOM 1778 CB TYR A 122 -11.393 21.629 6.871 1.00 16.66 C ATOM 1779 CG TYR A 122 -11.402 20.487 5.884 1.00 16.66 C ATOM 1780 CD1 TYR A 122 -12.003 20.649 4.630 1.00 16.66 C ATOM 1781 CD2 TYR A 122 -10.807 19.266 6.223 1.00 16.66 C ATOM 1782 CE1 TYR A 122 -12.006 19.588 3.714 1.00 16.66 C ATOM 1783 CE2 TYR A 122 -10.810 18.207 5.307 1.00 16.66 C ATOM 1784 CZ TYR A 122 -11.410 18.367 4.053 1.00 16.66 C ATOM 1785 OH TYR A 122 -11.414 17.323 3.151 1.00 16.66 O ATOM 0 H TYR A 122 -11.740 23.343 8.492 1.00 16.66 H new ATOM 0 HA TYR A 122 -13.355 22.398 6.302 1.00 16.66 H new ATOM 0 HB2 TYR A 122 -10.840 22.473 6.459 1.00 16.66 H new ATOM 0 HB3 TYR A 122 -10.881 21.328 7.785 1.00 16.66 H new ATOM 0 HD1 TYR A 122 -12.464 21.590 4.369 1.00 16.66 H new ATOM 0 HD2 TYR A 122 -10.346 19.141 7.191 1.00 16.66 H new ATOM 0 HE1 TYR A 122 -12.468 19.712 2.746 1.00 16.66 H new ATOM 0 HE2 TYR A 122 -10.349 17.266 5.568 1.00 16.66 H new ATOM 0 HH TYR A 122 -10.958 16.549 3.544 1.00 16.66 H new ATOM 1795 N LEU A 123 -13.529 20.637 9.029 1.00 50.00 N ATOM 1796 CA LEU A 123 -14.279 19.506 9.646 1.00 50.00 C ATOM 1797 C LEU A 123 -15.707 19.946 9.982 1.00 50.00 C ATOM 1798 O LEU A 123 -16.643 19.178 9.882 1.00 50.00 O ATOM 1799 CB LEU A 123 -13.503 19.174 10.923 1.00 50.00 C ATOM 1800 CG LEU A 123 -12.591 17.968 10.677 1.00 50.00 C ATOM 1801 CD1 LEU A 123 -13.429 16.688 10.676 1.00 50.00 C ATOM 1802 CD2 LEU A 123 -11.884 18.116 9.327 1.00 50.00 C ATOM 0 H LEU A 123 -12.962 21.184 9.677 1.00 50.00 H new ATOM 0 HA LEU A 123 -14.360 18.645 8.982 1.00 50.00 H new ATOM 0 HB2 LEU A 123 -12.909 20.034 11.232 1.00 50.00 H new ATOM 0 HB3 LEU A 123 -14.197 18.957 11.735 1.00 50.00 H new ATOM 0 HG LEU A 123 -11.844 17.916 11.469 1.00 50.00 H new ATOM 0 HD11 LEU A 123 -12.781 15.829 10.501 1.00 50.00 H new ATOM 0 HD12 LEU A 123 -13.926 16.578 11.640 1.00 50.00 H new ATOM 0 HD13 LEU A 123 -14.178 16.744 9.886 1.00 50.00 H new ATOM 0 HD21 LEU A 123 -11.237 17.255 9.159 1.00 50.00 H new ATOM 0 HD22 LEU A 123 -12.627 18.173 8.531 1.00 50.00 H new ATOM 0 HD23 LEU A 123 -11.284 19.026 9.328 1.00 50.00 H new ATOM 1814 N GLN A 124 -15.879 21.178 10.375 1.00 50.00 N ATOM 1815 CA GLN A 124 -17.246 21.670 10.712 1.00 50.00 C ATOM 1816 C GLN A 124 -18.139 21.636 9.470 1.00 50.00 C ATOM 1817 O GLN A 124 -19.348 21.572 9.564 1.00 50.00 O ATOM 1818 CB GLN A 124 -17.041 23.108 11.189 1.00 50.00 C ATOM 1819 CG GLN A 124 -18.229 23.535 12.051 1.00 50.00 C ATOM 1820 CD GLN A 124 -17.848 24.775 12.864 1.00 50.00 C ATOM 1821 OE1 GLN A 124 -17.756 25.861 12.329 1.00 50.00 O ATOM 1822 NE2 GLN A 124 -17.620 24.655 14.144 1.00 50.00 N ATOM 0 H GLN A 124 -15.133 21.866 10.478 1.00 50.00 H new ATOM 0 HA GLN A 124 -17.733 21.056 11.469 1.00 50.00 H new ATOM 0 HB2 GLN A 124 -16.117 23.184 11.762 1.00 50.00 H new ATOM 0 HB3 GLN A 124 -16.941 23.775 10.333 1.00 50.00 H new ATOM 0 HG2 GLN A 124 -19.091 23.751 11.420 1.00 50.00 H new ATOM 0 HG3 GLN A 124 -18.518 22.723 12.719 1.00 50.00 H new ATOM 0 HE21 GLN A 124 -17.698 23.742 14.592 1.00 50.00 H new ATOM 0 HE22 GLN A 124 -17.364 25.474 14.695 1.00 50.00 H new ATOM 1831 N ASN A 125 -17.551 21.676 8.305 1.00 50.00 N ATOM 1832 CA ASN A 125 -18.365 21.644 7.056 1.00 50.00 C ATOM 1833 C ASN A 125 -19.442 20.560 7.152 1.00 50.00 C ATOM 1834 O ASN A 125 -20.473 20.638 6.514 1.00 50.00 O ATOM 1835 CB ASN A 125 -17.370 21.312 5.945 1.00 50.00 C ATOM 1836 CG ASN A 125 -17.603 22.245 4.755 1.00 50.00 C ATOM 1837 OD1 ASN A 125 -18.658 22.230 4.154 1.00 50.00 O ATOM 1838 ND2 ASN A 125 -16.654 23.062 4.386 1.00 50.00 N ATOM 0 H ASN A 125 -16.542 21.729 8.164 1.00 50.00 H new ATOM 0 HA ASN A 125 -18.880 22.587 6.875 1.00 50.00 H new ATOM 0 HB2 ASN A 125 -16.349 21.421 6.312 1.00 50.00 H new ATOM 0 HB3 ASN A 125 -17.488 20.274 5.635 1.00 50.00 H new ATOM 0 HD21 ASN A 125 -16.799 23.687 3.593 1.00 50.00 H new ATOM 0 HD22 ASN A 125 -15.768 23.075 4.890 1.00 50.00 H new ATOM 1845 N ARG A 126 -19.211 19.550 7.944 1.00 50.00 N ATOM 1846 CA ARG A 126 -20.222 18.462 8.080 1.00 50.00 C ATOM 1847 C ARG A 126 -20.513 18.191 9.557 1.00 50.00 C ATOM 1848 O ARG A 126 -20.372 17.082 10.034 1.00 50.00 O ATOM 1849 CB ARG A 126 -19.578 17.238 7.426 1.00 50.00 C ATOM 1850 CG ARG A 126 -19.410 17.486 5.926 1.00 50.00 C ATOM 1851 CD ARG A 126 -18.264 16.624 5.393 1.00 50.00 C ATOM 1852 NE ARG A 126 -18.179 16.955 3.942 1.00 50.00 N ATOM 1853 CZ ARG A 126 -17.014 17.052 3.361 1.00 50.00 C ATOM 1854 NH1 ARG A 126 -16.033 16.277 3.732 1.00 50.00 N ATOM 1855 NH2 ARG A 126 -16.830 17.929 2.411 1.00 50.00 N ATOM 0 H ARG A 126 -18.366 19.430 8.503 1.00 50.00 H new ATOM 0 HA ARG A 126 -21.172 18.721 7.613 1.00 50.00 H new ATOM 0 HB2 ARG A 126 -18.609 17.037 7.882 1.00 50.00 H new ATOM 0 HB3 ARG A 126 -20.197 16.356 7.592 1.00 50.00 H new ATOM 0 HG2 ARG A 126 -20.335 17.246 5.401 1.00 50.00 H new ATOM 0 HG3 ARG A 126 -19.203 18.540 5.742 1.00 50.00 H new ATOM 0 HD2 ARG A 126 -17.329 16.849 5.905 1.00 50.00 H new ATOM 0 HD3 ARG A 126 -18.463 15.563 5.545 1.00 50.00 H new ATOM 0 HE ARG A 126 -19.032 17.106 3.403 1.00 50.00 H new ATOM 0 HH11 ARG A 126 -16.176 15.595 4.477 1.00 50.00 H new ATOM 0 HH12 ARG A 126 -15.123 16.353 3.278 1.00 50.00 H new ATOM 0 HH21 ARG A 126 -17.596 18.538 2.123 1.00 50.00 H new ATOM 0 HH22 ARG A 126 -15.920 18.005 1.957 1.00 50.00 H new ATOM 1869 N VAL A 127 -20.919 19.195 10.286 1.00 50.00 N ATOM 1870 CA VAL A 127 -21.221 18.993 11.733 1.00 50.00 C ATOM 1871 C VAL A 127 -22.035 17.711 11.929 1.00 50.00 C ATOM 1872 O VAL A 127 -22.739 17.270 11.042 1.00 50.00 O ATOM 1873 CB VAL A 127 -22.038 20.219 12.153 1.00 50.00 C ATOM 1874 CG1 VAL A 127 -21.094 21.395 12.414 1.00 50.00 C ATOM 1875 CG2 VAL A 127 -23.025 20.593 11.043 1.00 50.00 C ATOM 0 H VAL A 127 -21.055 20.146 9.943 1.00 50.00 H new ATOM 0 HA VAL A 127 -20.315 18.890 12.330 1.00 50.00 H new ATOM 0 HB VAL A 127 -22.593 19.986 13.062 1.00 50.00 H new ATOM 0 HG11 VAL A 127 -21.674 22.268 12.713 1.00 50.00 H new ATOM 0 HG12 VAL A 127 -20.397 21.132 13.210 1.00 50.00 H new ATOM 0 HG13 VAL A 127 -20.537 21.623 11.505 1.00 50.00 H new ATOM 0 HG21 VAL A 127 -23.603 21.465 11.348 1.00 50.00 H new ATOM 0 HG22 VAL A 127 -22.476 20.823 10.130 1.00 50.00 H new ATOM 0 HG23 VAL A 127 -23.700 19.757 10.860 1.00 50.00 H new ATOM 1885 N ILE A 128 -21.944 17.110 13.084 1.00 50.00 N ATOM 1886 CA ILE A 128 -22.714 15.856 13.334 1.00 50.00 C ATOM 1887 C ILE A 128 -24.006 16.169 14.094 1.00 50.00 C ATOM 1888 O ILE A 128 -23.930 16.876 15.085 1.00 50.00 O ATOM 1889 CB ILE A 128 -21.787 14.987 14.185 1.00 50.00 C ATOM 1890 CG1 ILE A 128 -20.625 14.485 13.325 1.00 50.00 C ATOM 1891 CG2 ILE A 128 -22.568 13.792 14.733 1.00 50.00 C ATOM 1892 CD1 ILE A 128 -19.378 14.323 14.197 1.00 50.00 C ATOM 1893 OXT ILE A 128 -25.047 15.695 13.672 1.00 50.00 O ATOM 0 H ILE A 128 -21.371 17.431 13.864 1.00 50.00 H new ATOM 0 HA ILE A 128 -23.005 15.358 12.409 1.00 50.00 H new ATOM 0 HB ILE A 128 -21.397 15.577 15.014 1.00 50.00 H new ATOM 0 HG12 ILE A 128 -20.885 13.533 12.863 1.00 50.00 H new ATOM 0 HG13 ILE A 128 -20.427 15.188 12.516 1.00 50.00 H new ATOM 0 HG21 ILE A 128 -21.907 13.173 15.340 1.00 50.00 H new ATOM 0 HG22 ILE A 128 -23.395 14.149 15.346 1.00 50.00 H new ATOM 0 HG23 ILE A 128 -22.959 13.202 13.904 1.00 50.00 H new ATOM 0 HD11 ILE A 128 -18.550 13.965 13.585 1.00 50.00 H new ATOM 0 HD12 ILE A 128 -19.115 15.285 14.638 1.00 50.00 H new ATOM 0 HD13 ILE A 128 -19.580 13.603 14.990 1.00 50.00 H new TER 1905 ILE A 128 HETATM 1906 C ACE A 129 -19.235 15.894 18.049 1.00 0.00 C HETATM 1907 O ACE A 129 -18.509 14.964 17.761 1.00 0.00 O HETATM 1908 CH3 ACE A 129 -20.489 15.687 18.901 1.00 0.00 C HETATM 0 H1 ACE A 129 -20.414 16.284 19.810 1.00 0.00 H new HETATM 0 H2 ACE A 129 -21.368 15.996 18.335 1.00 0.00 H new HETATM 0 H3 ACE A 129 -20.579 14.633 19.165 1.00 0.00 H new HETATM 1912 FE1 FES A 130 -13.368 7.339 13.205 1.00 0.00 FE HETATM 1913 FE2 FES A 130 -11.263 6.702 14.715 1.00 0.00 FE HETATM 1914 S1 FES A 130 -12.999 7.997 15.325 1.00 0.00 S HETATM 1915 S2 FES A 130 -11.642 6.027 12.602 1.00 0.00 S