USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -3.09 K(o=-13,f=-15!) USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 115 TYR OH : rot -67:sc= -0.656 USER MOD Set 1.4: A 116 ASN : amide:sc= -8.94! C(o=-13!,f=-15!) USER MOD Set 2.1: A 5 TYR OH : rot 53:sc= -0.46! USER MOD Set 2.2: A 55 GLN : amide:sc= 0.5 K(o=0.68,f=-7.6!) USER MOD Set 2.3: A 57 TYR OH : rot 75:sc= 0.638 USER MOD Set 3.1: A 40 MET CE :methyl -115:sc= -8.89! (180deg=-13.8!) USER MOD Set 3.2: A 101 THR OG1 : rot 164:sc= 1.22 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 86:sc= 0.0487 USER MOD Single : A 14 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.0039) USER MOD Single : A 18 MET CE :methyl 138:sc= -2.65! (180deg=-6.28!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -0.0586 (180deg=-0.336) USER MOD Single : A 37 TYR OH : rot 53:sc= -0.213 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc= -0.0242 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.765 (180deg=0.689) USER MOD Single : A 82 MET CE :methyl -153:sc= -1.49 (180deg=-3.46!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 105 SER OG : rot 180:sc= -0.864 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -23.4! C(o=-23!,f=-25!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.645 7.505 30.130 1.00 3.92 N ATOM 2 CA PRO A 1 2.440 7.576 29.258 1.00 3.44 C ATOM 3 C PRO A 1 1.575 8.781 29.640 1.00 3.50 C ATOM 4 O PRO A 1 0.451 8.637 30.077 1.00 4.94 O ATOM 5 CB PRO A 1 1.706 6.270 29.540 1.00 2.00 C ATOM 6 CG PRO A 1 2.153 5.869 30.907 1.00 4.99 C ATOM 7 CD PRO A 1 3.556 6.388 31.076 1.00 3.38 C ATOM 0 H2 PRO A 1 3.748 8.380 30.643 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.479 7.398 29.553 1.00 3.92 H new ATOM 0 HA PRO A 1 2.685 7.698 28.203 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.625 6.407 29.502 1.00 2.00 H new ATOM 0 HB3 PRO A 1 1.957 5.508 28.802 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.493 6.286 31.667 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.126 4.785 31.020 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.738 6.718 32.099 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.295 5.618 30.853 1.00 3.38 H new ATOM 17 N THR A 2 2.092 9.969 29.476 1.00 3.08 N ATOM 18 CA THR A 2 1.300 11.182 29.829 1.00 2.08 C ATOM 19 C THR A 2 0.840 11.899 28.557 1.00 2.52 C ATOM 20 O THR A 2 1.567 12.678 27.974 1.00 2.28 O ATOM 21 CB THR A 2 2.260 12.065 30.627 1.00 3.47 C ATOM 22 OG1 THR A 2 2.651 11.386 31.812 1.00 3.73 O ATOM 23 CG2 THR A 2 1.566 13.377 30.995 1.00 3.09 C ATOM 0 H THR A 2 3.028 10.152 29.113 1.00 3.08 H new ATOM 0 HA THR A 2 0.403 10.939 30.399 1.00 2.08 H new ATOM 0 HB THR A 2 3.141 12.281 30.023 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.268 11.950 32.324 1.00 3.73 H new ATOM 0 HG21 THR A 2 2.252 14.005 31.564 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.267 13.898 30.085 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.683 13.165 31.599 1.00 3.09 H new ATOM 31 N VAL A 3 -0.364 11.643 28.121 1.00 10.00 N ATOM 32 CA VAL A 3 -0.869 12.311 26.889 1.00 10.00 C ATOM 33 C VAL A 3 -1.701 13.540 27.262 1.00 10.00 C ATOM 34 O VAL A 3 -2.726 13.432 27.900 1.00 10.00 O ATOM 35 CB VAL A 3 -1.738 11.261 26.195 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.092 11.743 24.787 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.972 9.938 26.103 1.00 10.00 C ATOM 0 H VAL A 3 -1.019 11.000 28.565 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.061 12.658 26.244 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.652 11.111 26.770 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.711 10.995 24.291 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.640 12.683 24.851 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.177 11.894 24.214 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.593 9.192 25.608 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.057 10.086 25.530 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.720 9.593 27.106 1.00 10.00 H new ATOM 47 N GLU A 4 -1.267 14.708 26.877 1.00 10.00 N ATOM 48 CA GLU A 4 -2.035 15.939 27.222 1.00 10.00 C ATOM 49 C GLU A 4 -3.095 16.230 26.155 1.00 10.00 C ATOM 50 O GLU A 4 -2.783 16.466 25.005 1.00 10.00 O ATOM 51 CB GLU A 4 -0.991 17.056 27.256 1.00 50.00 C ATOM 52 CG GLU A 4 -1.484 18.192 28.157 1.00 50.00 C ATOM 53 CD GLU A 4 -0.319 18.710 29.003 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.788 18.745 28.493 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.554 19.062 30.148 1.00 50.00 O ATOM 0 H GLU A 4 -0.415 14.864 26.339 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.564 15.840 28.170 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.042 16.669 27.627 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.810 17.430 26.248 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.895 18.999 27.551 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.287 17.837 28.803 1.00 50.00 H new ATOM 62 N TYR A 5 -4.348 16.221 26.526 1.00 10.00 N ATOM 63 CA TYR A 5 -5.422 16.507 25.530 1.00 10.00 C ATOM 64 C TYR A 5 -5.801 17.991 25.576 1.00 10.00 C ATOM 65 O TYR A 5 -5.988 18.561 26.633 1.00 10.00 O ATOM 66 CB TYR A 5 -6.604 15.630 25.951 1.00 10.00 C ATOM 67 CG TYR A 5 -7.104 16.065 27.308 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.013 17.125 27.411 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.665 15.405 28.461 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.484 17.523 28.669 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.135 15.804 29.719 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.045 16.862 29.821 1.00 50.00 C ATOM 73 OH TYR A 5 -8.512 17.253 31.060 1.00 50.00 O ATOM 0 H TYR A 5 -4.674 16.028 27.473 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.107 16.293 24.509 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.405 15.706 25.216 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.300 14.584 25.983 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.351 17.635 26.521 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.964 14.588 28.381 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.186 18.340 28.749 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.795 15.295 30.609 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.492 17.260 31.053 1.00 50.00 H new ATOM 83 N LEU A 6 -5.906 18.623 24.438 1.00 10.00 N ATOM 84 CA LEU A 6 -6.261 20.073 24.416 1.00 10.00 C ATOM 85 C LEU A 6 -7.412 20.325 23.435 1.00 10.00 C ATOM 86 O LEU A 6 -7.321 20.020 22.262 1.00 10.00 O ATOM 87 CB LEU A 6 -4.979 20.775 23.951 1.00 12.50 C ATOM 88 CG LEU A 6 -5.245 22.264 23.694 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.156 22.832 24.784 1.00 50.00 C ATOM 90 CD2 LEU A 6 -3.916 23.022 23.699 1.00 50.00 C ATOM 0 H LEU A 6 -5.761 18.198 23.522 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.598 20.438 25.386 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.202 20.664 24.707 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.609 20.303 23.041 1.00 12.50 H new ATOM 0 HG LEU A 6 -5.734 22.378 22.727 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.338 23.889 24.592 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -7.104 22.294 24.782 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.676 22.718 25.756 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.100 24.081 23.517 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.431 22.900 24.667 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.269 22.626 22.916 1.00 50.00 H new ATOM 102 N ASN A 7 -8.498 20.875 23.910 1.00 10.00 N ATOM 103 CA ASN A 7 -9.661 21.146 23.014 1.00 10.00 C ATOM 104 C ASN A 7 -9.250 22.067 21.866 1.00 10.00 C ATOM 105 O ASN A 7 -8.868 23.201 22.077 1.00 10.00 O ATOM 106 CB ASN A 7 -10.692 21.843 23.901 1.00 10.00 C ATOM 107 CG ASN A 7 -12.019 21.957 23.149 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.345 21.112 22.338 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.804 22.972 23.383 1.00 12.50 N ATOM 0 H ASN A 7 -8.630 21.149 24.883 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.050 20.231 22.566 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.832 21.281 24.824 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.335 22.834 24.182 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.691 23.056 22.886 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.531 23.681 24.063 1.00 12.50 H new ATOM 116 N TYR A 8 -9.336 21.599 20.652 1.00 50.00 N ATOM 117 CA TYR A 8 -8.958 22.469 19.504 1.00 50.00 C ATOM 118 C TYR A 8 -9.824 23.736 19.511 1.00 50.00 C ATOM 119 O TYR A 8 -9.438 24.765 18.992 1.00 50.00 O ATOM 120 CB TYR A 8 -9.228 21.617 18.258 1.00 50.00 C ATOM 121 CG TYR A 8 -9.540 22.505 17.074 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.816 23.063 16.939 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.556 22.763 16.111 1.00 50.00 C ATOM 124 CE1 TYR A 8 -11.111 23.878 15.841 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.852 23.581 15.013 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.130 24.137 14.878 1.00 50.00 C ATOM 127 OH TYR A 8 -10.421 24.942 13.794 1.00 50.00 O ATOM 0 H TYR A 8 -9.649 20.660 20.406 1.00 50.00 H new ATOM 0 HA TYR A 8 -7.919 22.797 19.543 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.359 20.997 18.038 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.063 20.941 18.445 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.573 22.864 17.683 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.571 22.332 16.215 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -12.096 24.307 15.737 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -8.094 23.783 14.270 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.283 25.881 14.038 1.00 50.00 H new ATOM 137 N GLU A 9 -10.989 23.670 20.097 1.00 25.00 N ATOM 138 CA GLU A 9 -11.871 24.872 20.136 1.00 25.00 C ATOM 139 C GLU A 9 -11.241 25.959 21.008 1.00 25.00 C ATOM 140 O GLU A 9 -11.268 27.128 20.676 1.00 25.00 O ATOM 141 CB GLU A 9 -13.184 24.383 20.749 1.00 50.00 C ATOM 142 CG GLU A 9 -14.333 24.657 19.775 1.00 50.00 C ATOM 143 CD GLU A 9 -15.193 25.803 20.311 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.368 25.872 21.517 1.00 50.00 O ATOM 145 OE2 GLU A 9 -15.662 26.591 19.507 1.00 50.00 O ATOM 0 H GLU A 9 -11.368 22.838 20.549 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.022 25.306 19.148 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.122 23.316 20.965 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.367 24.890 21.696 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -13.938 24.914 18.792 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.940 23.760 19.650 1.00 50.00 H new ATOM 152 N THR A 10 -10.666 25.585 22.118 1.00 50.00 N ATOM 153 CA THR A 10 -10.028 26.600 23.004 1.00 50.00 C ATOM 154 C THR A 10 -8.967 27.376 22.221 1.00 50.00 C ATOM 155 O THR A 10 -8.689 28.525 22.500 1.00 50.00 O ATOM 156 CB THR A 10 -9.382 25.796 24.133 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.390 25.351 25.031 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.381 26.677 24.881 1.00 50.00 C ATOM 0 H THR A 10 -10.610 24.622 22.450 1.00 50.00 H new ATOM 0 HA THR A 10 -10.744 27.328 23.387 1.00 50.00 H new ATOM 0 HB THR A 10 -8.861 24.934 23.715 1.00 50.00 H new ATOM 0 HG1 THR A 10 -9.978 24.834 25.755 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.921 26.103 25.685 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.609 27.017 24.191 1.00 50.00 H new ATOM 0 HG23 THR A 10 -8.898 27.540 25.301 1.00 50.00 H new ATOM 166 N LEU A 11 -8.376 26.752 21.239 1.00 50.00 N ATOM 167 CA LEU A 11 -7.336 27.448 20.431 1.00 50.00 C ATOM 168 C LEU A 11 -7.980 28.580 19.623 1.00 50.00 C ATOM 169 O LEU A 11 -7.458 29.675 19.540 1.00 50.00 O ATOM 170 CB LEU A 11 -6.769 26.362 19.507 1.00 50.00 C ATOM 171 CG LEU A 11 -6.144 27.000 18.263 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.128 28.063 18.687 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.437 25.923 17.438 1.00 50.00 C ATOM 0 H LEU A 11 -8.569 25.790 20.961 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.556 27.902 21.042 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.020 25.776 20.039 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.562 25.674 19.213 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.927 27.464 17.663 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.684 28.516 17.801 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.630 28.832 19.275 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.346 27.599 19.288 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.992 26.377 16.552 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.656 25.459 18.039 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.159 25.165 17.134 1.00 50.00 H new ATOM 185 N ASP A 12 -9.112 28.323 19.027 1.00 50.00 N ATOM 186 CA ASP A 12 -9.792 29.380 18.224 1.00 50.00 C ATOM 187 C ASP A 12 -10.545 30.346 19.144 1.00 50.00 C ATOM 188 O ASP A 12 -10.437 31.549 19.017 1.00 50.00 O ATOM 189 CB ASP A 12 -10.771 28.625 17.326 1.00 50.00 C ATOM 190 CG ASP A 12 -10.091 28.294 15.996 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.989 29.184 15.169 1.00 50.00 O ATOM 192 OD2 ASP A 12 -9.685 27.156 15.829 1.00 50.00 O ATOM 0 H ASP A 12 -9.596 27.426 19.061 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.085 29.978 17.648 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.099 27.709 17.817 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.661 29.229 17.151 1.00 50.00 H new ATOM 197 N ASP A 13 -11.305 29.829 20.068 1.00 50.00 N ATOM 198 CA ASP A 13 -12.064 30.719 20.993 1.00 50.00 C ATOM 199 C ASP A 13 -11.122 31.737 21.642 1.00 50.00 C ATOM 200 O ASP A 13 -11.402 32.918 21.684 1.00 50.00 O ATOM 201 CB ASP A 13 -12.652 29.783 22.050 1.00 50.00 C ATOM 202 CG ASP A 13 -13.695 28.871 21.403 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.607 29.393 20.782 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.564 27.665 21.537 1.00 50.00 O ATOM 0 H ASP A 13 -11.434 28.829 20.224 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.837 31.288 20.476 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -11.861 29.185 22.501 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -13.109 30.364 22.851 1.00 50.00 H new ATOM 209 N GLN A 14 -10.008 31.286 22.153 1.00 50.00 N ATOM 210 CA GLN A 14 -9.051 32.228 22.802 1.00 50.00 C ATOM 211 C GLN A 14 -8.225 32.963 21.743 1.00 50.00 C ATOM 212 O GLN A 14 -7.565 33.942 22.027 1.00 50.00 O ATOM 213 CB GLN A 14 -8.148 31.342 23.662 1.00 50.00 C ATOM 214 CG GLN A 14 -8.155 31.852 25.104 1.00 50.00 C ATOM 215 CD GLN A 14 -9.229 31.109 25.901 1.00 50.00 C ATOM 216 OE1 GLN A 14 -10.407 31.262 25.643 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.871 30.304 26.864 1.00 50.00 N ATOM 0 H GLN A 14 -9.720 30.308 22.149 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.560 32.991 23.391 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.496 30.309 23.629 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.132 31.349 23.268 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -7.177 31.699 25.560 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.350 32.924 25.121 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.883 30.176 27.080 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -9.580 29.803 27.400 1.00 50.00 H new ATOM 226 N GLY A 15 -8.253 32.497 20.525 1.00 50.00 N ATOM 227 CA GLY A 15 -7.465 33.169 19.454 1.00 50.00 C ATOM 228 C GLY A 15 -5.975 32.925 19.698 1.00 50.00 C ATOM 229 O GLY A 15 -5.138 33.742 19.371 1.00 50.00 O ATOM 0 H GLY A 15 -8.787 31.681 20.225 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.754 32.783 18.477 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.675 34.239 19.448 1.00 50.00 H new ATOM 233 N TRP A 16 -5.639 31.804 20.275 1.00 50.00 N ATOM 234 CA TRP A 16 -4.205 31.502 20.547 1.00 50.00 C ATOM 235 C TRP A 16 -3.613 30.668 19.411 1.00 50.00 C ATOM 236 O TRP A 16 -4.190 30.546 18.349 1.00 50.00 O ATOM 237 CB TRP A 16 -4.213 30.701 21.848 1.00 50.00 C ATOM 238 CG TRP A 16 -4.425 31.625 23.004 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.561 32.968 22.912 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.529 31.300 24.420 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.743 33.487 24.181 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.731 32.498 25.145 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.469 30.092 25.140 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.866 32.499 26.534 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.605 30.089 26.538 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.804 31.290 27.233 1.00 50.00 C ATOM 0 H TRP A 16 -6.297 31.083 20.570 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.601 32.406 20.624 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.003 29.950 21.820 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.270 30.167 21.964 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.532 33.541 21.997 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.871 34.479 24.381 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.317 29.161 24.614 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -5.017 33.427 27.065 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -4.556 29.156 27.080 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.909 31.281 28.308 1.00 50.00 H new ATOM 257 N ASP A 17 -2.464 30.092 19.628 1.00 50.00 N ATOM 258 CA ASP A 17 -1.829 29.261 18.567 1.00 50.00 C ATOM 259 C ASP A 17 -1.254 27.979 19.177 1.00 50.00 C ATOM 260 O ASP A 17 -0.953 27.921 20.352 1.00 50.00 O ATOM 261 CB ASP A 17 -0.710 30.131 17.994 1.00 50.00 C ATOM 262 CG ASP A 17 -0.142 29.469 16.737 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.592 28.384 16.409 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.732 30.059 16.124 1.00 50.00 O ATOM 0 H ASP A 17 -1.935 30.161 20.498 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.540 28.958 17.799 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -1.093 31.123 17.754 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.078 30.264 18.736 1.00 50.00 H new ATOM 269 N MET A 18 -1.104 26.951 18.388 1.00 50.00 N ATOM 270 CA MET A 18 -0.551 25.674 18.926 1.00 50.00 C ATOM 271 C MET A 18 0.962 25.792 19.126 1.00 50.00 C ATOM 272 O MET A 18 1.574 24.980 19.792 1.00 50.00 O ATOM 273 CB MET A 18 -0.868 24.625 17.858 1.00 50.00 C ATOM 274 CG MET A 18 -2.258 24.041 18.111 1.00 50.00 C ATOM 275 SD MET A 18 -2.123 22.625 19.230 1.00 50.00 S ATOM 276 CE MET A 18 -3.126 23.305 20.574 1.00 50.00 C ATOM 0 H MET A 18 -1.340 26.939 17.396 1.00 50.00 H new ATOM 0 HA MET A 18 -0.980 25.416 19.894 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.827 25.076 16.867 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.120 23.832 17.879 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.910 24.800 18.544 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.711 23.732 17.169 1.00 50.00 H new ATOM 0 HE1 MET A 18 -3.781 22.528 20.968 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.473 23.667 21.368 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.729 24.131 20.196 1.00 50.00 H new ATOM 286 N ASP A 19 1.572 26.793 18.554 1.00 50.00 N ATOM 287 CA ASP A 19 3.046 26.955 18.711 1.00 50.00 C ATOM 288 C ASP A 19 3.367 28.284 19.402 1.00 50.00 C ATOM 289 O ASP A 19 4.303 28.385 20.171 1.00 50.00 O ATOM 290 CB ASP A 19 3.599 26.945 17.286 1.00 50.00 C ATOM 291 CG ASP A 19 3.330 25.583 16.643 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.003 24.634 17.010 1.00 50.00 O ATOM 293 OD2 ASP A 19 2.455 25.512 15.796 1.00 50.00 O ATOM 0 H ASP A 19 1.115 27.505 17.985 1.00 50.00 H new ATOM 0 HA ASP A 19 3.483 26.167 19.325 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.132 27.735 16.698 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.670 27.148 17.299 1.00 50.00 H new ATOM 298 N ASP A 20 2.602 29.305 19.132 1.00 50.00 N ATOM 299 CA ASP A 20 2.871 30.626 19.770 1.00 50.00 C ATOM 300 C ASP A 20 2.347 30.643 21.211 1.00 50.00 C ATOM 301 O ASP A 20 3.108 30.604 22.157 1.00 50.00 O ATOM 302 CB ASP A 20 2.112 31.640 18.913 1.00 50.00 C ATOM 303 CG ASP A 20 3.100 32.650 18.326 1.00 50.00 C ATOM 304 OD1 ASP A 20 3.718 33.363 19.099 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.222 32.694 17.112 1.00 50.00 O ATOM 0 H ASP A 20 1.803 29.283 18.498 1.00 50.00 H new ATOM 0 HA ASP A 20 3.937 30.847 19.821 1.00 50.00 H new ATOM 0 HB2 ASP A 20 1.579 31.129 18.112 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.364 32.155 19.516 1.00 50.00 H new ATOM 310 N ASP A 21 1.056 30.706 21.382 1.00 50.00 N ATOM 311 CA ASP A 21 0.486 30.732 22.760 1.00 50.00 C ATOM 312 C ASP A 21 0.712 29.393 23.466 1.00 50.00 C ATOM 313 O ASP A 21 0.544 29.277 24.663 1.00 50.00 O ATOM 314 CB ASP A 21 -1.009 30.984 22.565 1.00 50.00 C ATOM 315 CG ASP A 21 -1.522 31.905 23.675 1.00 50.00 C ATOM 316 OD1 ASP A 21 -1.606 31.449 24.804 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.822 33.048 23.376 1.00 50.00 O ATOM 0 H ASP A 21 0.370 30.741 20.628 1.00 50.00 H new ATOM 0 HA ASP A 21 0.956 31.496 23.379 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -1.188 31.438 21.590 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -1.553 30.039 22.582 1.00 50.00 H new ATOM 322 N ASP A 22 1.090 28.381 22.736 1.00 50.00 N ATOM 323 CA ASP A 22 1.321 27.054 23.375 1.00 50.00 C ATOM 324 C ASP A 22 0.145 26.703 24.289 1.00 50.00 C ATOM 325 O ASP A 22 0.319 26.415 25.456 1.00 50.00 O ATOM 326 CB ASP A 22 2.602 27.222 24.190 1.00 50.00 C ATOM 327 CG ASP A 22 3.669 26.258 23.670 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.314 26.591 22.690 1.00 50.00 O ATOM 329 OD2 ASP A 22 3.823 25.201 24.260 1.00 50.00 O ATOM 0 H ASP A 22 1.249 28.414 21.729 1.00 50.00 H new ATOM 0 HA ASP A 22 1.409 26.251 22.643 1.00 50.00 H new ATOM 0 HB2 ASP A 22 2.959 28.249 24.118 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.403 27.027 25.244 1.00 50.00 H new ATOM 334 N LEU A 23 -1.052 26.731 23.763 1.00 50.00 N ATOM 335 CA LEU A 23 -2.253 26.404 24.590 1.00 50.00 C ATOM 336 C LEU A 23 -1.946 25.252 25.554 1.00 50.00 C ATOM 337 O LEU A 23 -2.208 25.334 26.737 1.00 50.00 O ATOM 338 CB LEU A 23 -3.320 25.978 23.582 1.00 50.00 C ATOM 339 CG LEU A 23 -3.898 27.215 22.892 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.798 27.045 21.376 1.00 50.00 C ATOM 341 CD2 LEU A 23 -5.366 27.379 23.291 1.00 50.00 C ATOM 0 H LEU A 23 -1.251 26.968 22.791 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.572 27.250 25.199 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.887 25.305 22.842 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -4.113 25.427 24.088 1.00 50.00 H new ATOM 0 HG LEU A 23 -3.337 28.098 23.196 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.210 27.926 20.883 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.753 26.925 21.091 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.360 26.163 21.071 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.780 28.260 22.801 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.927 26.496 22.985 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -5.438 27.498 24.372 1.00 50.00 H new ATOM 353 N PHE A 24 -1.393 24.181 25.055 1.00 50.00 N ATOM 354 CA PHE A 24 -1.066 23.027 25.941 1.00 50.00 C ATOM 355 C PHE A 24 -0.330 23.521 27.185 1.00 50.00 C ATOM 356 O PHE A 24 -0.422 22.942 28.248 1.00 50.00 O ATOM 357 CB PHE A 24 -0.145 22.137 25.108 1.00 50.00 C ATOM 358 CG PHE A 24 -0.967 21.216 24.240 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.672 20.155 24.819 1.00 50.00 C ATOM 360 CD2 PHE A 24 -1.015 21.419 22.856 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.428 19.297 24.011 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.769 20.560 22.049 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.476 19.499 22.627 1.00 50.00 C ATOM 0 H PHE A 24 -1.153 24.055 24.072 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.958 22.497 26.276 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.505 22.753 24.486 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.501 21.553 25.764 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.633 19.998 25.887 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.470 22.239 22.411 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.974 18.479 24.456 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.806 20.715 20.981 1.00 50.00 H new ATOM 0 HZ PHE A 24 -3.059 18.836 22.005 1.00 50.00 H new ATOM 373 N GLU A 25 0.407 24.585 27.050 1.00 50.00 N ATOM 374 CA GLU A 25 1.165 25.122 28.215 1.00 50.00 C ATOM 375 C GLU A 25 0.428 26.309 28.843 1.00 50.00 C ATOM 376 O GLU A 25 0.254 26.377 30.043 1.00 50.00 O ATOM 377 CB GLU A 25 2.508 25.571 27.638 1.00 50.00 C ATOM 378 CG GLU A 25 3.634 24.744 28.263 1.00 50.00 C ATOM 379 CD GLU A 25 3.937 23.539 27.368 1.00 50.00 C ATOM 380 OE1 GLU A 25 3.055 22.712 27.203 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.046 23.464 26.866 1.00 50.00 O ATOM 0 H GLU A 25 0.519 25.109 26.182 1.00 50.00 H new ATOM 0 HA GLU A 25 1.282 24.378 29.003 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.510 25.448 26.555 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.666 26.631 27.839 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.528 25.357 28.381 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.344 24.408 29.258 1.00 50.00 H new ATOM 388 N LYS A 26 -0.003 27.246 28.044 1.00 50.00 N ATOM 389 CA LYS A 26 -0.723 28.428 28.602 1.00 50.00 C ATOM 390 C LYS A 26 -2.022 27.992 29.281 1.00 50.00 C ATOM 391 O LYS A 26 -2.511 28.644 30.183 1.00 50.00 O ATOM 392 CB LYS A 26 -1.016 29.319 27.395 1.00 50.00 C ATOM 393 CG LYS A 26 -1.758 30.576 27.856 1.00 50.00 C ATOM 394 CD LYS A 26 -0.749 31.695 28.121 1.00 50.00 C ATOM 395 CE LYS A 26 -0.820 32.105 29.593 1.00 50.00 C ATOM 396 NZ LYS A 26 0.480 31.664 30.173 1.00 50.00 N ATOM 0 H LYS A 26 0.111 27.245 27.030 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.135 28.948 29.359 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.085 29.595 26.899 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.617 28.776 26.666 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -2.473 30.889 27.095 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -2.328 30.364 28.761 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.258 31.358 27.874 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -0.964 32.552 27.483 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.955 33.181 29.698 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -1.660 31.628 30.097 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.350 31.428 31.177 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 0.822 30.825 29.662 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 1.177 32.431 30.085 1.00 50.00 H new ATOM 410 N ALA A 27 -2.586 26.893 28.862 1.00 50.00 N ATOM 411 CA ALA A 27 -3.851 26.421 29.493 1.00 50.00 C ATOM 412 C ALA A 27 -3.567 25.902 30.905 1.00 50.00 C ATOM 413 O ALA A 27 -4.462 25.738 31.710 1.00 50.00 O ATOM 414 CB ALA A 27 -4.350 25.290 28.594 1.00 50.00 C ATOM 0 H ALA A 27 -2.227 26.302 28.112 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.590 27.217 29.586 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.281 24.890 28.995 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.523 25.674 27.589 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.602 24.498 28.556 1.00 50.00 H new ATOM 420 N ALA A 28 -2.324 25.646 31.211 1.00 50.00 N ATOM 421 CA ALA A 28 -1.981 25.142 32.570 1.00 50.00 C ATOM 422 C ALA A 28 -2.003 26.293 33.578 1.00 50.00 C ATOM 423 O ALA A 28 -2.151 26.087 34.766 1.00 50.00 O ATOM 424 CB ALA A 28 -0.569 24.571 32.436 1.00 50.00 C ATOM 0 H ALA A 28 -1.532 25.764 30.579 1.00 50.00 H new ATOM 0 HA ALA A 28 -2.689 24.394 32.926 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.243 24.178 33.399 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.569 23.769 31.698 1.00 50.00 H new ATOM 0 HB3 ALA A 28 0.113 25.359 32.115 1.00 50.00 H new ATOM 430 N ASP A 29 -1.856 27.505 33.115 1.00 50.00 N ATOM 431 CA ASP A 29 -1.869 28.665 34.051 1.00 50.00 C ATOM 432 C ASP A 29 -3.224 29.378 34.003 1.00 50.00 C ATOM 433 O ASP A 29 -3.389 30.454 34.542 1.00 50.00 O ATOM 434 CB ASP A 29 -0.758 29.589 33.551 1.00 50.00 C ATOM 435 CG ASP A 29 0.594 29.073 34.044 1.00 50.00 C ATOM 436 OD1 ASP A 29 0.983 29.441 35.141 1.00 50.00 O ATOM 437 OD2 ASP A 29 1.220 28.319 33.317 1.00 50.00 O ATOM 0 H ASP A 29 -1.728 27.741 32.131 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.712 28.359 35.085 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.768 29.631 32.462 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -0.925 30.604 33.911 1.00 50.00 H new ATOM 442 N ALA A 30 -4.196 28.786 33.361 1.00 50.00 N ATOM 443 CA ALA A 30 -5.537 29.436 33.281 1.00 50.00 C ATOM 444 C ALA A 30 -6.573 28.626 34.064 1.00 50.00 C ATOM 445 O ALA A 30 -7.447 29.172 34.706 1.00 50.00 O ATOM 446 CB ALA A 30 -5.881 29.450 31.791 1.00 50.00 C ATOM 0 H ALA A 30 -4.120 27.884 32.890 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.534 30.438 33.710 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -6.857 29.914 31.647 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.125 30.018 31.248 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.906 28.428 31.414 1.00 50.00 H new ATOM 452 N GLY A 31 -6.481 27.327 34.015 1.00 50.00 N ATOM 453 CA GLY A 31 -7.461 26.482 34.755 1.00 50.00 C ATOM 454 C GLY A 31 -8.667 26.200 33.856 1.00 50.00 C ATOM 455 O GLY A 31 -9.789 26.109 34.314 1.00 50.00 O ATOM 0 H GLY A 31 -5.770 26.813 33.495 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.994 25.546 35.060 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.782 26.989 35.665 1.00 50.00 H new ATOM 459 N LEU A 32 -8.443 26.063 32.578 1.00 50.00 N ATOM 460 CA LEU A 32 -9.574 25.788 31.645 1.00 50.00 C ATOM 461 C LEU A 32 -10.378 24.577 32.126 1.00 50.00 C ATOM 462 O LEU A 32 -10.087 23.993 33.150 1.00 50.00 O ATOM 463 CB LEU A 32 -8.910 25.488 30.301 1.00 50.00 C ATOM 464 CG LEU A 32 -8.692 26.793 29.535 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.460 26.658 28.638 1.00 50.00 C ATOM 466 CD2 LEU A 32 -9.919 27.089 28.671 1.00 50.00 C ATOM 0 H LEU A 32 -7.525 26.130 32.138 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.270 26.625 31.582 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.957 24.984 30.459 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.535 24.812 29.718 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.540 27.608 30.243 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.304 27.588 28.092 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -6.584 26.447 29.252 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.613 25.843 27.931 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.764 28.019 28.125 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.071 26.274 27.963 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.798 27.185 29.308 1.00 50.00 H new ATOM 478 N ASP A 33 -11.386 24.193 31.390 1.00 50.00 N ATOM 479 CA ASP A 33 -12.206 23.017 31.801 1.00 50.00 C ATOM 480 C ASP A 33 -11.420 21.724 31.569 1.00 50.00 C ATOM 481 O ASP A 33 -10.618 21.628 30.660 1.00 50.00 O ATOM 482 CB ASP A 33 -13.443 23.062 30.902 1.00 50.00 C ATOM 483 CG ASP A 33 -14.361 24.200 31.352 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.431 24.441 32.546 1.00 50.00 O ATOM 485 OD2 ASP A 33 -14.981 24.808 30.495 1.00 50.00 O ATOM 0 H ASP A 33 -11.677 24.643 30.522 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.471 23.045 32.858 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.146 23.210 29.864 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.975 22.112 30.949 1.00 50.00 H new ATOM 490 N GLY A 34 -11.641 20.728 32.383 1.00 50.00 N ATOM 491 CA GLY A 34 -10.903 19.446 32.208 1.00 50.00 C ATOM 492 C GLY A 34 -11.408 18.727 30.955 1.00 50.00 C ATOM 493 O GLY A 34 -10.718 17.910 30.378 1.00 50.00 O ATOM 0 H GLY A 34 -12.300 20.747 33.161 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.834 19.640 32.122 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.043 18.812 33.084 1.00 50.00 H new ATOM 497 N GLU A 35 -12.606 19.022 30.529 1.00 50.00 N ATOM 498 CA GLU A 35 -13.150 18.351 29.313 1.00 50.00 C ATOM 499 C GLU A 35 -12.524 18.949 28.049 1.00 50.00 C ATOM 500 O GLU A 35 -12.848 18.564 26.943 1.00 50.00 O ATOM 501 CB GLU A 35 -14.653 18.624 29.347 1.00 50.00 C ATOM 502 CG GLU A 35 -15.352 17.755 28.298 1.00 50.00 C ATOM 503 CD GLU A 35 -16.864 17.793 28.527 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.318 18.702 29.204 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.543 16.915 28.022 1.00 50.00 O ATOM 0 H GLU A 35 -13.231 19.697 30.969 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.930 17.284 29.300 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.051 18.407 30.338 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.847 19.678 29.149 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.116 18.115 27.297 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.990 16.729 28.361 1.00 50.00 H new ATOM 512 N ASP A 36 -11.630 19.887 28.204 1.00 50.00 N ATOM 513 CA ASP A 36 -10.987 20.507 27.009 1.00 50.00 C ATOM 514 C ASP A 36 -9.463 20.408 27.117 1.00 50.00 C ATOM 515 O ASP A 36 -8.793 19.976 26.201 1.00 50.00 O ATOM 516 CB ASP A 36 -11.431 21.970 27.031 1.00 50.00 C ATOM 517 CG ASP A 36 -12.953 22.045 26.902 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.620 21.205 27.483 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.427 22.941 26.223 1.00 50.00 O ATOM 0 H ASP A 36 -11.317 20.251 29.104 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.274 20.009 26.083 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.111 22.444 27.959 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.959 22.516 26.214 1.00 50.00 H new ATOM 524 N TYR A 37 -8.911 20.804 28.230 1.00 12.50 N ATOM 525 CA TYR A 37 -7.431 20.734 28.394 1.00 12.50 C ATOM 526 C TYR A 37 -7.077 20.024 29.704 1.00 12.50 C ATOM 527 O TYR A 37 -7.672 20.269 30.733 1.00 12.50 O ATOM 528 CB TYR A 37 -6.964 22.189 28.430 1.00 12.50 C ATOM 529 CG TYR A 37 -5.537 22.249 28.918 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.489 21.875 28.068 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.261 22.678 30.222 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.165 21.931 28.521 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.937 22.734 30.675 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.889 22.361 29.824 1.00 12.50 C ATOM 535 OH TYR A 37 -1.585 22.416 30.270 1.00 50.00 O ATOM 0 H TYR A 37 -9.420 21.173 29.033 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.954 20.174 27.590 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.038 22.630 27.436 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.609 22.773 29.087 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.702 21.543 27.063 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.069 22.966 30.878 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.357 21.642 27.865 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.724 23.065 31.681 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.045 22.938 29.640 1.00 50.00 H new ATOM 545 N GLY A 38 -6.114 19.145 29.670 1.00 10.00 N ATOM 546 CA GLY A 38 -5.720 18.420 30.911 1.00 10.00 C ATOM 547 C GLY A 38 -4.774 17.276 30.550 1.00 10.00 C ATOM 548 O GLY A 38 -4.506 17.021 29.393 1.00 10.00 O ATOM 0 H GLY A 38 -5.582 18.897 28.836 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.233 19.104 31.606 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.605 18.030 31.414 1.00 10.00 H new ATOM 552 N THR A 39 -4.263 16.583 31.531 1.00 10.00 N ATOM 553 CA THR A 39 -3.332 15.457 31.238 1.00 10.00 C ATOM 554 C THR A 39 -4.113 14.151 31.068 1.00 10.00 C ATOM 555 O THR A 39 -4.999 13.838 31.841 1.00 10.00 O ATOM 556 CB THR A 39 -2.411 15.379 32.455 1.00 50.00 C ATOM 557 OG1 THR A 39 -2.449 16.615 33.154 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.980 15.094 31.996 1.00 50.00 C ATOM 0 H THR A 39 -4.449 16.747 32.520 1.00 10.00 H new ATOM 0 HA THR A 39 -2.775 15.612 30.314 1.00 10.00 H new ATOM 0 HB THR A 39 -2.745 14.578 33.114 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.860 16.567 33.936 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.324 15.039 32.864 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.952 14.146 31.459 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.643 15.894 31.337 1.00 50.00 H new ATOM 566 N MET A 40 -3.792 13.386 30.062 1.00 10.00 N ATOM 567 CA MET A 40 -4.511 12.100 29.837 1.00 10.00 C ATOM 568 C MET A 40 -3.586 10.921 30.153 1.00 10.00 C ATOM 569 O MET A 40 -3.007 10.321 29.270 1.00 10.00 O ATOM 570 CB MET A 40 -4.879 12.109 28.352 1.00 10.00 C ATOM 571 CG MET A 40 -6.314 11.612 28.179 1.00 10.00 C ATOM 572 SD MET A 40 -6.973 12.210 26.603 1.00 12.50 S ATOM 573 CE MET A 40 -7.146 10.596 25.803 1.00 50.00 C ATOM 0 H MET A 40 -3.060 13.597 29.383 1.00 10.00 H new ATOM 0 HA MET A 40 -5.390 11.997 30.474 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.781 13.117 27.948 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.193 11.473 27.793 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.339 10.523 28.206 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.934 11.965 29.003 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.469 10.538 24.951 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.901 9.809 26.516 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.173 10.468 25.460 1.00 50.00 H new ATOM 583 N GLU A 41 -3.440 10.589 31.406 1.00 10.00 N ATOM 584 CA GLU A 41 -2.545 9.453 31.777 1.00 10.00 C ATOM 585 C GLU A 41 -3.160 8.119 31.345 1.00 10.00 C ATOM 586 O GLU A 41 -4.196 7.714 31.833 1.00 10.00 O ATOM 587 CB GLU A 41 -2.430 9.520 33.299 1.00 10.00 C ATOM 588 CG GLU A 41 -1.037 9.054 33.725 1.00 10.00 C ATOM 589 CD GLU A 41 -1.021 7.527 33.836 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.876 6.994 34.522 1.00 12.50 O ATOM 591 OE2 GLU A 41 -0.153 6.919 33.231 1.00 12.50 O ATOM 0 H GLU A 41 -3.900 11.053 32.189 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.573 9.523 31.288 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.605 10.539 33.643 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.192 8.892 33.760 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.294 9.384 32.999 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.769 9.502 34.682 1.00 10.00 H new ATOM 598 N VAL A 42 -2.523 7.429 30.437 1.00 10.00 N ATOM 599 CA VAL A 42 -3.066 6.117 29.980 1.00 10.00 C ATOM 600 C VAL A 42 -2.118 4.983 30.386 1.00 10.00 C ATOM 601 O VAL A 42 -1.051 4.824 29.829 1.00 10.00 O ATOM 602 CB VAL A 42 -3.146 6.227 28.456 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.020 5.096 27.910 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.759 7.575 28.073 1.00 10.00 C ATOM 0 H VAL A 42 -1.651 7.717 29.992 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.037 5.896 30.423 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.145 6.151 28.033 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.078 5.173 26.824 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -3.584 4.135 28.183 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -5.021 5.173 28.333 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.816 7.653 26.987 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.761 7.652 28.496 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.138 8.381 28.463 1.00 10.00 H new ATOM 614 N ALA A 43 -2.499 4.197 31.356 1.00 10.00 N ATOM 615 CA ALA A 43 -1.619 3.076 31.799 1.00 10.00 C ATOM 616 C ALA A 43 -1.027 2.354 30.585 1.00 10.00 C ATOM 617 O ALA A 43 -1.610 2.334 29.518 1.00 10.00 O ATOM 618 CB ALA A 43 -2.535 2.139 32.586 1.00 50.00 C ATOM 0 H ALA A 43 -3.381 4.282 31.861 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.779 3.425 32.400 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.960 1.286 32.947 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.961 2.675 33.434 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.338 1.787 31.939 1.00 50.00 H new ATOM 624 N GLU A 44 0.125 1.760 30.739 1.00 10.00 N ATOM 625 CA GLU A 44 0.752 1.038 29.594 1.00 10.00 C ATOM 626 C GLU A 44 -0.101 -0.171 29.200 1.00 10.00 C ATOM 627 O GLU A 44 -0.339 -1.060 29.994 1.00 10.00 O ATOM 628 CB GLU A 44 2.119 0.586 30.109 1.00 10.00 C ATOM 629 CG GLU A 44 3.219 1.260 29.288 1.00 10.00 C ATOM 630 CD GLU A 44 4.484 0.401 29.328 1.00 25.00 C ATOM 631 OE1 GLU A 44 5.178 0.449 30.330 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.739 -0.291 28.355 1.00 25.00 O ATOM 0 H GLU A 44 0.659 1.743 31.608 1.00 10.00 H new ATOM 0 HA GLU A 44 0.839 1.667 28.708 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.226 0.844 31.163 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.207 -0.498 30.036 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.889 1.393 28.258 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.428 2.253 29.686 1.00 10.00 H new ATOM 639 N GLY A 45 -0.564 -0.209 27.980 1.00 10.00 N ATOM 640 CA GLY A 45 -1.403 -1.358 27.537 1.00 10.00 C ATOM 641 C GLY A 45 -2.881 -0.984 27.662 1.00 10.00 C ATOM 642 O GLY A 45 -3.756 -1.721 27.254 1.00 10.00 O ATOM 0 H GLY A 45 -0.397 0.506 27.272 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.168 -1.618 26.505 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.186 -2.237 28.144 1.00 10.00 H new ATOM 646 N GLU A 46 -3.167 0.159 28.223 1.00 10.00 N ATOM 647 CA GLU A 46 -4.588 0.583 28.376 1.00 10.00 C ATOM 648 C GLU A 46 -5.006 1.461 27.194 1.00 10.00 C ATOM 649 O GLU A 46 -4.273 2.329 26.764 1.00 10.00 O ATOM 650 CB GLU A 46 -4.618 1.384 29.678 1.00 10.00 C ATOM 651 CG GLU A 46 -5.960 1.171 30.379 1.00 10.00 C ATOM 652 CD GLU A 46 -5.772 0.212 31.557 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.777 -0.986 31.327 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.625 0.693 32.669 1.00 10.00 O ATOM 0 H GLU A 46 -2.477 0.819 28.583 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.275 -0.263 28.400 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.802 1.070 30.329 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.469 2.443 29.469 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.354 2.124 30.731 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.689 0.764 29.678 1.00 10.00 H new ATOM 661 N TYR A 47 -6.179 1.244 26.665 1.00 10.00 N ATOM 662 CA TYR A 47 -6.639 2.068 25.511 1.00 10.00 C ATOM 663 C TYR A 47 -6.814 3.528 25.939 1.00 10.00 C ATOM 664 O TYR A 47 -7.288 3.816 27.020 1.00 10.00 O ATOM 665 CB TYR A 47 -7.980 1.461 25.097 1.00 10.00 C ATOM 666 CG TYR A 47 -7.848 -0.041 25.022 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.714 -0.615 24.433 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.857 -0.861 25.543 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.590 -2.008 24.365 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.733 -2.254 25.474 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.599 -2.827 24.885 1.00 10.00 C ATOM 672 OH TYR A 47 -7.477 -4.200 24.818 1.00 10.00 O ATOM 0 H TYR A 47 -6.838 0.533 26.981 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.923 2.064 24.690 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.753 1.734 25.816 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.289 1.859 24.130 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.936 0.017 24.031 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.731 -0.419 25.998 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.716 -2.451 23.911 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.511 -2.886 25.875 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.264 -4.619 25.225 1.00 10.00 H new ATOM 682 N ILE A 48 -6.432 4.451 25.099 1.00 10.00 N ATOM 683 CA ILE A 48 -6.569 5.893 25.455 1.00 10.00 C ATOM 684 C ILE A 48 -8.012 6.210 25.859 1.00 10.00 C ATOM 685 O ILE A 48 -8.287 6.565 26.988 1.00 10.00 O ATOM 686 CB ILE A 48 -6.186 6.649 24.184 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.692 6.468 23.911 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.496 8.137 24.360 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.462 6.325 22.406 1.00 10.00 C ATOM 0 H ILE A 48 -6.030 4.269 24.179 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.940 6.171 26.301 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.758 6.256 23.344 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.135 7.323 24.295 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.321 5.585 24.432 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.222 8.675 23.453 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.561 8.267 24.552 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.926 8.530 25.201 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.397 6.196 22.211 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -5.006 5.456 22.036 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.818 7.221 21.897 1.00 10.00 H new ATOM 701 N LEU A 49 -8.936 6.091 24.944 1.00 10.00 N ATOM 702 CA LEU A 49 -10.359 6.393 25.277 1.00 10.00 C ATOM 703 C LEU A 49 -10.721 5.803 26.644 1.00 10.00 C ATOM 704 O LEU A 49 -11.538 6.341 27.364 1.00 10.00 O ATOM 705 CB LEU A 49 -11.175 5.733 24.165 1.00 10.00 C ATOM 706 CG LEU A 49 -12.636 5.606 24.604 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.266 6.998 24.689 1.00 10.00 C ATOM 708 CD2 LEU A 49 -13.402 4.759 23.587 1.00 10.00 C ATOM 0 H LEU A 49 -8.768 5.798 23.981 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.552 7.464 25.338 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -11.110 6.325 23.252 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.767 4.748 23.936 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.682 5.127 25.582 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.306 6.908 25.002 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.720 7.601 25.415 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -13.221 7.478 23.711 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -14.442 4.668 23.899 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -13.357 5.237 22.608 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.953 3.767 23.528 1.00 10.00 H new ATOM 720 N GLU A 50 -10.117 4.705 27.012 1.00 10.00 N ATOM 721 CA GLU A 50 -10.431 4.095 28.337 1.00 10.00 C ATOM 722 C GLU A 50 -9.956 5.025 29.455 1.00 10.00 C ATOM 723 O GLU A 50 -10.692 5.345 30.367 1.00 10.00 O ATOM 724 CB GLU A 50 -9.654 2.779 28.365 1.00 10.00 C ATOM 725 CG GLU A 50 -10.608 1.630 28.700 1.00 10.00 C ATOM 726 CD GLU A 50 -9.838 0.307 28.681 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.652 0.340 28.404 1.00 50.00 O ATOM 728 OE2 GLU A 50 -10.450 -0.715 28.945 1.00 50.00 O ATOM 0 H GLU A 50 -9.423 4.206 26.456 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.499 3.933 28.481 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.181 2.603 27.399 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.856 2.831 29.106 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -11.056 1.789 29.681 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.424 1.599 27.978 1.00 10.00 H new ATOM 735 N ALA A 51 -8.731 5.469 29.383 1.00 10.00 N ATOM 736 CA ALA A 51 -8.210 6.387 30.434 1.00 10.00 C ATOM 737 C ALA A 51 -8.901 7.744 30.323 1.00 10.00 C ATOM 738 O ALA A 51 -9.137 8.419 31.306 1.00 10.00 O ATOM 739 CB ALA A 51 -6.714 6.517 30.147 1.00 12.50 C ATOM 0 H ALA A 51 -8.069 5.236 28.643 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.394 6.014 31.442 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.259 7.180 30.882 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.246 5.535 30.205 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.570 6.929 29.148 1.00 12.50 H new ATOM 745 N ALA A 52 -9.235 8.145 29.129 1.00 10.00 N ATOM 746 CA ALA A 52 -9.920 9.455 28.944 1.00 10.00 C ATOM 747 C ALA A 52 -11.391 9.327 29.331 1.00 10.00 C ATOM 748 O ALA A 52 -11.945 10.172 30.007 1.00 10.00 O ATOM 749 CB ALA A 52 -9.780 9.771 27.457 1.00 10.00 C ATOM 0 H ALA A 52 -9.063 7.621 28.271 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.491 10.242 29.565 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.261 10.725 27.241 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.723 9.830 27.196 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.255 8.984 26.871 1.00 10.00 H new ATOM 755 N GLU A 53 -12.023 8.272 28.914 1.00 10.00 N ATOM 756 CA GLU A 53 -13.457 8.076 29.262 1.00 10.00 C ATOM 757 C GLU A 53 -13.608 8.001 30.782 1.00 10.00 C ATOM 758 O GLU A 53 -14.638 8.338 31.333 1.00 10.00 O ATOM 759 CB GLU A 53 -13.845 6.747 28.612 1.00 10.00 C ATOM 760 CG GLU A 53 -15.336 6.487 28.830 1.00 10.00 C ATOM 761 CD GLU A 53 -15.540 5.038 29.275 1.00 10.00 C ATOM 762 OE1 GLU A 53 -14.619 4.482 29.851 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.612 4.509 29.032 1.00 10.00 O ATOM 0 H GLU A 53 -11.610 7.533 28.345 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.091 8.892 28.914 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.622 6.773 27.545 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.257 5.935 29.041 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.729 7.169 29.584 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.888 6.677 27.910 1.00 10.00 H new ATOM 770 N ALA A 54 -12.582 7.569 31.463 1.00 10.00 N ATOM 771 CA ALA A 54 -12.655 7.480 32.948 1.00 10.00 C ATOM 772 C ALA A 54 -12.434 8.863 33.565 1.00 10.00 C ATOM 773 O ALA A 54 -12.549 9.046 34.762 1.00 10.00 O ATOM 774 CB ALA A 54 -11.525 6.529 33.344 1.00 50.00 C ATOM 0 H ALA A 54 -11.695 7.274 31.054 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.625 7.125 33.296 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.512 6.411 34.427 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.685 5.558 32.875 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.571 6.939 33.012 1.00 50.00 H new ATOM 780 N GLN A 55 -12.118 9.840 32.759 1.00 10.00 N ATOM 781 CA GLN A 55 -11.892 11.211 33.298 1.00 10.00 C ATOM 782 C GLN A 55 -13.035 12.137 32.874 1.00 10.00 C ATOM 783 O GLN A 55 -13.475 12.982 33.627 1.00 10.00 O ATOM 784 CB GLN A 55 -10.570 11.670 32.681 1.00 10.00 C ATOM 785 CG GLN A 55 -9.411 10.914 33.332 1.00 10.00 C ATOM 786 CD GLN A 55 -8.494 11.904 34.052 1.00 10.00 C ATOM 787 OE1 GLN A 55 -8.853 13.047 34.254 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.313 11.511 34.449 1.00 10.00 N ATOM 0 H GLN A 55 -12.007 9.748 31.749 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.857 11.227 34.387 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.577 11.490 31.606 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.443 12.743 32.824 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.795 10.178 34.038 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.849 10.367 32.575 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.011 10.552 34.280 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -6.693 12.164 34.928 1.00 10.00 H new ATOM 797 N GLY A 56 -13.520 11.981 31.672 1.00 10.00 N ATOM 798 CA GLY A 56 -14.637 12.848 31.201 1.00 10.00 C ATOM 799 C GLY A 56 -14.277 13.471 29.849 1.00 10.00 C ATOM 800 O GLY A 56 -14.715 14.556 29.521 1.00 10.00 O ATOM 0 H GLY A 56 -13.191 11.291 30.996 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.551 12.261 31.109 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.834 13.632 31.932 1.00 10.00 H new ATOM 804 N TYR A 57 -13.488 12.795 29.056 1.00 10.00 N ATOM 805 CA TYR A 57 -13.112 13.359 27.726 1.00 10.00 C ATOM 806 C TYR A 57 -13.984 12.745 26.628 1.00 10.00 C ATOM 807 O TYR A 57 -13.759 11.633 26.193 1.00 10.00 O ATOM 808 CB TYR A 57 -11.647 12.970 27.522 1.00 10.00 C ATOM 809 CG TYR A 57 -10.847 13.343 28.746 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.277 14.384 29.579 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.674 12.645 29.049 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.531 14.723 30.715 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.929 12.984 30.181 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.356 14.022 31.016 1.00 12.50 C ATOM 815 OH TYR A 57 -8.620 14.356 32.135 1.00 12.50 O ATOM 0 H TYR A 57 -13.089 11.881 29.270 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.254 14.439 27.684 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.568 11.899 27.336 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.245 13.476 26.645 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.182 14.924 29.346 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.343 11.842 28.407 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.862 15.525 31.359 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.022 12.444 30.412 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.079 14.031 32.938 1.00 12.50 H new ATOM 825 N ASP A 58 -14.976 13.461 26.173 1.00 10.00 N ATOM 826 CA ASP A 58 -15.855 12.915 25.100 1.00 10.00 C ATOM 827 C ASP A 58 -15.211 13.151 23.732 1.00 10.00 C ATOM 828 O ASP A 58 -14.699 14.217 23.452 1.00 10.00 O ATOM 829 CB ASP A 58 -17.163 13.694 25.223 1.00 10.00 C ATOM 830 CG ASP A 58 -17.920 13.225 26.468 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.451 13.501 27.560 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.952 12.597 26.306 1.00 10.00 O ATOM 0 H ASP A 58 -15.215 14.398 26.497 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.016 11.841 25.198 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.958 14.762 25.290 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.774 13.542 24.334 1.00 10.00 H new ATOM 837 N TRP A 59 -15.224 12.164 22.878 1.00 10.00 N ATOM 838 CA TRP A 59 -14.602 12.337 21.534 1.00 10.00 C ATOM 839 C TRP A 59 -15.651 12.169 20.433 1.00 10.00 C ATOM 840 O TRP A 59 -16.583 11.400 20.571 1.00 10.00 O ATOM 841 CB TRP A 59 -13.540 11.242 21.452 1.00 10.00 C ATOM 842 CG TRP A 59 -12.561 11.437 22.563 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.799 11.150 23.861 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.204 11.965 22.501 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.678 11.475 24.602 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.668 11.977 23.810 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.395 12.429 21.449 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.377 12.433 24.067 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.093 12.890 21.706 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.586 12.891 23.013 1.00 50.00 C ATOM 0 H TRP A 59 -15.637 11.248 23.052 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.173 13.330 21.399 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.005 10.259 21.527 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.031 11.281 20.489 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.715 10.735 24.255 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.607 11.357 25.613 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.776 12.431 20.439 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -8.991 12.432 25.076 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.479 13.246 20.892 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.584 13.246 23.204 1.00 50.00 H new ATOM 861 N PRO A 60 -15.459 12.907 19.375 1.00 10.00 N ATOM 862 CA PRO A 60 -16.396 12.857 18.226 1.00 10.00 C ATOM 863 C PRO A 60 -16.253 11.532 17.473 1.00 10.00 C ATOM 864 O PRO A 60 -15.163 11.109 17.140 1.00 10.00 O ATOM 865 CB PRO A 60 -15.954 14.030 17.355 1.00 10.00 C ATOM 866 CG PRO A 60 -14.517 14.249 17.708 1.00 10.00 C ATOM 867 CD PRO A 60 -14.357 13.848 19.150 1.00 10.00 C ATOM 0 HA PRO A 60 -17.443 12.922 18.523 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -16.071 13.802 16.296 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.551 14.919 17.557 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.867 13.654 17.067 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.238 15.293 17.564 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.389 13.381 19.330 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.424 14.709 19.815 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.506 11.007 15.345 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.712 12.465 15.101 1.00 10.00 C ATOM 1013 C ALA A 72 -9.904 13.300 16.098 1.00 10.00 C ATOM 1014 O ALA A 72 -10.453 13.973 16.952 1.00 10.00 O ATOM 1015 CB ALA A 72 -12.210 12.690 15.303 1.00 10.00 C ATOM 0 HA ALA A 72 -10.382 12.764 14.106 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.445 13.742 15.141 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.769 12.080 14.593 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.486 12.409 16.319 1.00 10.00 H new ATOM 1021 N SER A 73 -8.604 13.273 15.991 1.00 10.00 N ATOM 1022 CA SER A 73 -7.759 14.070 16.925 1.00 10.00 C ATOM 1023 C SER A 73 -6.634 14.764 16.150 1.00 10.00 C ATOM 1024 O SER A 73 -6.559 14.676 14.942 1.00 10.00 O ATOM 1025 CB SER A 73 -7.185 13.051 17.908 1.00 50.00 C ATOM 1026 OG SER A 73 -8.239 12.496 18.682 1.00 50.00 O ATOM 0 H SER A 73 -8.089 12.732 15.296 1.00 10.00 H new ATOM 0 HA SER A 73 -8.325 14.850 17.434 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.662 12.262 17.367 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.454 13.530 18.559 1.00 50.00 H new ATOM 0 HG SER A 73 -8.086 11.536 18.802 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.761 15.450 16.836 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.641 16.146 16.142 1.00 10.00 C ATOM 1034 C ILE A 74 -3.375 16.068 17.001 1.00 10.00 C ATOM 1035 O ILE A 74 -2.886 17.064 17.496 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.103 17.594 15.989 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.444 17.630 15.249 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -4.061 18.382 15.193 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.259 17.104 13.822 1.00 10.00 C ATOM 0 H ILE A 74 -5.775 15.559 17.850 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.404 15.698 15.177 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.221 18.041 16.976 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.179 17.024 15.778 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.830 18.649 15.224 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.391 19.415 15.084 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.107 18.360 15.720 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.941 17.934 14.207 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.214 17.131 13.298 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.538 17.729 13.295 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.893 16.078 13.857 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.854 14.885 17.186 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.627 14.719 18.019 1.00 10.00 C ATOM 1053 C VAL A 75 -0.641 15.867 17.777 1.00 10.00 C ATOM 1054 O VAL A 75 -0.122 16.035 16.693 1.00 10.00 O ATOM 1055 CB VAL A 75 -1.024 13.391 17.559 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.464 13.548 16.144 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.102 12.983 18.512 1.00 50.00 C ATOM 0 H VAL A 75 -3.228 14.021 16.794 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.853 14.727 19.085 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.796 12.622 17.561 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -0.034 12.602 15.816 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.266 13.837 15.465 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.308 14.317 16.142 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.531 12.036 18.184 1.00 50.00 H new ATOM 0 HG22 VAL A 75 0.875 13.752 18.512 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -0.297 12.870 19.520 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.378 16.656 18.783 1.00 10.00 N ATOM 1068 CA LYS A 76 0.577 17.788 18.611 1.00 10.00 C ATOM 1069 C LYS A 76 1.999 17.335 18.955 1.00 10.00 C ATOM 1070 O LYS A 76 2.959 18.041 18.721 1.00 10.00 O ATOM 1071 CB LYS A 76 0.103 18.860 19.594 1.00 25.00 C ATOM 1072 CG LYS A 76 0.688 20.215 19.193 1.00 25.00 C ATOM 1073 CD LYS A 76 1.577 20.742 20.322 1.00 50.00 C ATOM 1074 CE LYS A 76 1.503 22.269 20.356 1.00 50.00 C ATOM 1075 NZ LYS A 76 2.456 22.726 19.304 1.00 50.00 N ATOM 0 H LYS A 76 -0.782 16.566 19.715 1.00 10.00 H new ATOM 0 HA LYS A 76 0.600 18.158 17.586 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.986 18.909 19.598 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.414 18.603 20.607 1.00 25.00 H new ATOM 0 HG2 LYS A 76 1.268 20.115 18.276 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.115 20.923 18.987 1.00 25.00 H new ATOM 0 HD2 LYS A 76 1.253 20.330 21.278 1.00 50.00 H new ATOM 0 HD3 LYS A 76 2.607 20.420 20.169 1.00 50.00 H new ATOM 0 HE2 LYS A 76 0.491 22.620 20.151 1.00 50.00 H new ATOM 0 HE3 LYS A 76 1.782 22.656 21.336 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 2.473 23.766 19.279 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 3.409 22.369 19.520 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 2.152 22.362 18.378 1.00 50.00 H new ATOM 1089 N GLU A 77 2.140 16.163 19.510 1.00 10.00 N ATOM 1090 CA GLU A 77 3.499 15.665 19.870 1.00 10.00 C ATOM 1091 C GLU A 77 3.406 14.266 20.485 1.00 10.00 C ATOM 1092 O GLU A 77 2.440 13.930 21.143 1.00 10.00 O ATOM 1093 CB GLU A 77 4.029 16.667 20.897 1.00 10.00 C ATOM 1094 CG GLU A 77 5.332 17.282 20.386 1.00 10.00 C ATOM 1095 CD GLU A 77 6.505 16.373 20.757 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.295 15.453 21.530 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.594 16.612 20.260 1.00 25.00 O ATOM 0 H GLU A 77 1.373 15.528 19.730 1.00 10.00 H new ATOM 0 HA GLU A 77 4.152 15.586 19.001 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.290 17.449 21.073 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.199 16.169 21.852 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.286 17.411 19.305 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.474 18.272 20.820 1.00 10.00 H new ATOM 1104 N GLY A 78 4.404 13.450 20.280 1.00 10.00 N ATOM 1105 CA GLY A 78 4.372 12.077 20.855 1.00 10.00 C ATOM 1106 C GLY A 78 4.006 11.069 19.763 1.00 10.00 C ATOM 1107 O GLY A 78 4.332 11.246 18.606 1.00 10.00 O ATOM 0 H GLY A 78 5.239 13.675 19.739 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.344 11.828 21.282 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.646 12.029 21.666 1.00 10.00 H new ATOM 1111 N GLU A 79 3.330 10.014 20.124 1.00 10.00 N ATOM 1112 CA GLU A 79 2.941 8.990 19.112 1.00 10.00 C ATOM 1113 C GLU A 79 2.086 7.904 19.769 1.00 10.00 C ATOM 1114 O GLU A 79 2.238 7.606 20.938 1.00 10.00 O ATOM 1115 CB GLU A 79 4.261 8.404 18.609 1.00 25.00 C ATOM 1116 CG GLU A 79 3.974 7.308 17.582 1.00 25.00 C ATOM 1117 CD GLU A 79 4.721 7.617 16.284 1.00 50.00 C ATOM 1118 OE1 GLU A 79 4.988 8.782 16.040 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.010 6.684 15.553 1.00 50.00 O ATOM 0 H GLU A 79 3.029 9.816 21.078 1.00 10.00 H new ATOM 0 HA GLU A 79 2.351 9.414 18.299 1.00 10.00 H new ATOM 0 HB2 GLU A 79 4.871 9.187 18.160 1.00 25.00 H new ATOM 0 HB3 GLU A 79 4.831 7.995 19.443 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.286 6.339 17.972 1.00 25.00 H new ATOM 0 HG3 GLU A 79 2.903 7.245 17.391 1.00 25.00 H new ATOM 1126 N ILE A 80 1.188 7.311 19.032 1.00 10.00 N ATOM 1127 CA ILE A 80 0.327 6.247 19.622 1.00 10.00 C ATOM 1128 C ILE A 80 0.596 4.903 18.941 1.00 10.00 C ATOM 1129 O ILE A 80 0.968 4.844 17.787 1.00 10.00 O ATOM 1130 CB ILE A 80 -1.108 6.702 19.354 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -1.287 8.144 19.834 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -2.080 5.791 20.107 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -2.710 8.610 19.525 1.00 50.00 C ATOM 0 H ILE A 80 1.013 7.516 18.048 1.00 10.00 H new ATOM 0 HA ILE A 80 0.521 6.107 20.686 1.00 10.00 H new ATOM 0 HB ILE A 80 -1.311 6.648 18.284 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.096 8.209 20.905 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -0.565 8.795 19.342 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -3.103 6.114 19.917 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.955 4.764 19.765 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.875 5.845 21.176 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.839 9.637 19.866 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.884 8.561 18.450 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -3.424 7.965 20.038 1.00 50.00 H new ATOM 1145 N ASP A 81 0.409 3.823 19.649 1.00 10.00 N ATOM 1146 CA ASP A 81 0.650 2.483 19.042 1.00 10.00 C ATOM 1147 C ASP A 81 -0.671 1.878 18.562 1.00 10.00 C ATOM 1148 O ASP A 81 -1.715 2.102 19.142 1.00 10.00 O ATOM 1149 CB ASP A 81 1.249 1.640 20.169 1.00 10.00 C ATOM 1150 CG ASP A 81 2.387 0.783 19.612 1.00 10.00 C ATOM 1151 OD1 ASP A 81 2.895 1.121 18.556 1.00 10.00 O ATOM 1152 OD2 ASP A 81 2.732 -0.198 20.252 1.00 10.00 O ATOM 0 H ASP A 81 0.100 3.810 20.621 1.00 10.00 H new ATOM 0 HA ASP A 81 1.310 2.533 18.176 1.00 10.00 H new ATOM 0 HB2 ASP A 81 1.621 2.287 20.963 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.482 1.004 20.609 1.00 10.00 H new ATOM 1157 N MET A 82 -0.634 1.115 17.507 1.00 12.50 N ATOM 1158 CA MET A 82 -1.889 0.498 16.988 1.00 12.50 C ATOM 1159 C MET A 82 -1.555 -0.718 16.120 1.00 12.50 C ATOM 1160 O MET A 82 -0.646 -0.688 15.315 1.00 12.50 O ATOM 1161 CB MET A 82 -2.551 1.595 16.154 1.00 12.50 C ATOM 1162 CG MET A 82 -3.655 0.984 15.285 1.00 12.50 C ATOM 1163 SD MET A 82 -5.058 0.522 16.330 1.00 12.50 S ATOM 1164 CE MET A 82 -6.352 0.748 15.085 1.00 50.00 C ATOM 0 H MET A 82 0.210 0.891 16.980 1.00 12.50 H new ATOM 0 HA MET A 82 -2.543 0.146 17.786 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.970 2.360 16.808 1.00 12.50 H new ATOM 0 HB3 MET A 82 -1.808 2.086 15.525 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.973 1.699 14.526 1.00 12.50 H new ATOM 0 HG3 MET A 82 -3.276 0.108 14.759 1.00 12.50 H new ATOM 0 HE1 MET A 82 -7.294 0.988 15.578 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.075 1.562 14.416 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.468 -0.171 14.510 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.285 -1.789 16.277 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.009 -3.006 15.460 1.00 50.00 C ATOM 1176 C ASP A 83 -1.836 -2.625 13.987 1.00 50.00 C ATOM 1177 O ASP A 83 -2.496 -1.736 13.484 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.240 -3.895 15.642 1.00 50.00 C ATOM 1179 CG ASP A 83 -4.479 -3.161 15.125 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -4.524 -2.879 13.939 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.361 -2.893 15.925 1.00 50.00 O ATOM 0 H ASP A 83 -3.060 -1.874 16.935 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.093 -3.511 15.768 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.108 -4.833 15.102 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.367 -4.148 16.695 1.00 50.00 H new ATOM 1275 N SER A 89 0.377 8.263 6.286 1.00 12.50 N ATOM 1276 CA SER A 89 1.539 9.034 5.760 1.00 12.50 C ATOM 1277 C SER A 89 1.953 10.109 6.767 1.00 12.50 C ATOM 1278 O SER A 89 1.123 10.732 7.399 1.00 12.50 O ATOM 1279 CB SER A 89 1.036 9.675 4.467 1.00 12.50 C ATOM 1280 OG SER A 89 1.193 8.759 3.393 1.00 12.50 O ATOM 0 HA SER A 89 2.412 8.404 5.588 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.013 9.954 4.571 1.00 12.50 H new ATOM 0 HB3 SER A 89 1.591 10.591 4.262 1.00 12.50 H new ATOM 0 HG SER A 89 0.869 9.169 2.564 1.00 12.50 H new ATOM 1286 N ASP A 90 3.229 10.332 6.923 1.00 10.00 N ATOM 1287 CA ASP A 90 3.688 11.368 7.890 1.00 10.00 C ATOM 1288 C ASP A 90 3.027 12.711 7.577 1.00 10.00 C ATOM 1289 O ASP A 90 2.681 13.467 8.463 1.00 10.00 O ATOM 1290 CB ASP A 90 5.202 11.451 7.697 1.00 10.00 C ATOM 1291 CG ASP A 90 5.891 10.471 8.648 1.00 10.00 C ATOM 1292 OD1 ASP A 90 5.261 10.074 9.616 1.00 10.00 O ATOM 1293 OD2 ASP A 90 7.034 10.132 8.393 1.00 10.00 O ATOM 0 H ASP A 90 3.972 9.843 6.424 1.00 10.00 H new ATOM 0 HA ASP A 90 3.426 11.119 8.918 1.00 10.00 H new ATOM 0 HB2 ASP A 90 5.461 11.216 6.665 1.00 10.00 H new ATOM 0 HB3 ASP A 90 5.549 12.466 7.890 1.00 10.00 H new ATOM 1298 N GLU A 91 2.845 13.011 6.323 1.00 12.50 N ATOM 1299 CA GLU A 91 2.201 14.304 5.953 1.00 12.50 C ATOM 1300 C GLU A 91 0.842 14.420 6.642 1.00 12.50 C ATOM 1301 O GLU A 91 0.389 15.498 6.972 1.00 12.50 O ATOM 1302 CB GLU A 91 2.028 14.245 4.434 1.00 12.50 C ATOM 1303 CG GLU A 91 3.400 14.126 3.768 1.00 12.50 C ATOM 1304 CD GLU A 91 3.216 13.864 2.272 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.534 12.908 1.939 1.00 50.00 O ATOM 1306 OE2 GLU A 91 3.756 14.623 1.486 1.00 50.00 O ATOM 0 H GLU A 91 3.113 12.419 5.537 1.00 12.50 H new ATOM 0 HA GLU A 91 2.794 15.166 6.258 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.405 13.394 4.161 1.00 12.50 H new ATOM 0 HB3 GLU A 91 1.517 15.141 4.081 1.00 12.50 H new ATOM 0 HG2 GLU A 91 3.972 15.041 3.921 1.00 12.50 H new ATOM 0 HG3 GLU A 91 3.969 13.315 4.223 1.00 12.50 H new ATOM 1313 N GLU A 92 0.190 13.313 6.867 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.139 13.357 7.541 1.00 10.00 C ATOM 1315 C GLU A 92 -0.962 13.720 9.017 1.00 10.00 C ATOM 1316 O GLU A 92 -1.730 14.477 9.575 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.707 11.945 7.399 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.222 12.024 7.201 1.00 50.00 C ATOM 1319 CD GLU A 92 -3.663 10.953 6.201 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.040 9.905 6.172 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -4.618 11.199 5.482 1.00 50.00 O ATOM 0 H GLU A 92 0.519 12.381 6.614 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.802 14.104 7.104 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.244 11.439 6.552 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.475 11.357 8.287 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.732 11.879 8.153 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.501 13.013 6.837 1.00 50.00 H new ATOM 1328 N VAL A 93 0.046 13.188 9.653 1.00 10.00 N ATOM 1329 CA VAL A 93 0.270 13.511 11.090 1.00 10.00 C ATOM 1330 C VAL A 93 0.962 14.874 11.217 1.00 10.00 C ATOM 1331 O VAL A 93 1.138 15.396 12.299 1.00 10.00 O ATOM 1332 CB VAL A 93 1.156 12.372 11.621 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.637 12.696 11.391 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.903 12.187 13.118 1.00 10.00 C ATOM 0 H VAL A 93 0.722 12.545 9.241 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.658 13.584 11.657 1.00 10.00 H new ATOM 0 HB VAL A 93 0.908 11.454 11.087 1.00 10.00 H new ATOM 0 HG11 VAL A 93 3.251 11.880 11.772 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.821 12.821 10.324 1.00 10.00 H new ATOM 0 HG13 VAL A 93 2.893 13.618 11.913 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.530 11.380 13.496 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.144 13.111 13.645 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.146 11.939 13.282 1.00 10.00 H new ATOM 1344 N GLU A 94 1.347 15.454 10.112 1.00 12.50 N ATOM 1345 CA GLU A 94 2.015 16.786 10.161 1.00 12.50 C ATOM 1346 C GLU A 94 1.028 17.863 9.707 1.00 12.50 C ATOM 1347 O GLU A 94 0.914 18.911 10.313 1.00 12.50 O ATOM 1348 CB GLU A 94 3.188 16.682 9.186 1.00 12.50 C ATOM 1349 CG GLU A 94 4.356 17.527 9.700 1.00 12.50 C ATOM 1350 CD GLU A 94 4.327 18.901 9.028 1.00 12.50 C ATOM 1351 OE1 GLU A 94 4.759 18.992 7.891 1.00 12.50 O ATOM 1352 OE2 GLU A 94 3.873 19.839 9.662 1.00 12.50 O ATOM 0 H GLU A 94 1.228 15.063 9.178 1.00 12.50 H new ATOM 0 HA GLU A 94 2.353 17.053 11.163 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.496 15.642 9.081 1.00 12.50 H new ATOM 0 HB3 GLU A 94 2.884 17.026 8.197 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.289 17.638 10.782 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.301 17.027 9.489 1.00 12.50 H new ATOM 1359 N GLU A 95 0.306 17.605 8.650 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.686 18.604 8.161 1.00 12.50 C ATOM 1361 C GLU A 95 -2.007 18.429 8.915 1.00 12.50 C ATOM 1362 O GLU A 95 -2.761 19.365 9.097 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.868 18.290 6.675 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.432 19.518 5.958 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.439 19.071 4.897 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.866 17.929 4.957 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.765 19.877 4.042 1.00 50.00 O ATOM 0 H GLU A 95 0.361 16.745 8.104 1.00 12.50 H new ATOM 0 HA GLU A 95 -0.358 19.632 8.318 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.087 18.005 6.233 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.542 17.442 6.552 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.914 20.182 6.676 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.625 20.084 5.493 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.286 17.233 9.358 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.552 16.987 10.106 1.00 25.00 C ATOM 1376 C LYS A 96 -3.235 16.448 11.506 1.00 25.00 C ATOM 1377 O LYS A 96 -4.044 16.524 12.410 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.303 15.942 9.281 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.409 16.419 7.830 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.882 16.565 7.446 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.026 17.659 6.385 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.495 17.813 6.192 1.00 25.00 N ATOM 0 H LYS A 96 -1.691 16.414 9.234 1.00 25.00 H new ATOM 0 HA LYS A 96 -4.141 17.894 10.240 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.782 14.986 9.324 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -5.298 15.781 9.696 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -3.895 17.373 7.711 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -3.918 15.708 7.166 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -6.265 15.619 7.063 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.475 16.816 8.325 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.571 18.593 6.716 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.533 17.375 5.455 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.676 18.547 5.478 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.900 16.910 5.871 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -7.936 18.090 7.092 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.060 15.909 11.690 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.683 15.368 13.031 1.00 10.00 C ATOM 1398 C ASP A 97 -2.789 14.462 13.568 1.00 10.00 C ATOM 1399 O ASP A 97 -2.967 14.326 14.762 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.519 16.594 13.937 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.868 17.740 13.155 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.127 17.492 12.495 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.376 18.846 13.231 1.00 50.00 O ATOM 0 H ASP A 97 -1.343 15.819 10.970 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.772 14.772 12.984 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.491 16.908 14.317 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.906 16.338 14.801 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.536 13.841 12.700 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.632 12.948 13.172 1.00 10.00 C ATOM 1410 C VAL A 98 -4.058 11.627 13.689 1.00 10.00 C ATOM 1411 O VAL A 98 -2.958 11.240 13.345 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.514 12.712 11.946 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.817 12.038 12.380 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.833 14.052 11.275 1.00 50.00 C ATOM 0 H VAL A 98 -3.437 13.912 11.687 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.194 13.389 13.995 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.987 12.070 11.240 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.447 11.869 11.507 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.592 11.083 12.856 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.341 12.681 13.087 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.462 13.881 10.401 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.359 14.696 11.980 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.906 14.534 10.966 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.793 10.930 14.513 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.289 9.632 15.050 1.00 10.00 C ATOM 1426 C ARG A 99 -5.446 8.819 15.637 1.00 10.00 C ATOM 1427 O ARG A 99 -6.576 8.934 15.205 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.291 10.013 16.144 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.945 9.341 15.863 1.00 50.00 C ATOM 1430 CD ARG A 99 -2.124 7.820 15.853 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.780 7.282 15.497 1.00 50.00 N ATOM 1432 CZ ARG A 99 -0.630 6.009 15.246 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -1.523 5.150 15.660 1.00 50.00 N ATOM 1434 NH2 ARG A 99 0.414 5.594 14.582 1.00 50.00 N ATOM 0 H ARG A 99 -5.721 11.203 14.838 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.828 9.017 14.277 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.169 11.096 16.179 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.668 9.703 17.119 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.552 9.678 14.904 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.218 9.627 16.623 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -2.452 7.454 16.826 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -2.878 7.515 15.127 1.00 50.00 H new ATOM 0 HE ARG A 99 0.023 7.909 15.449 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -2.339 5.473 16.180 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -1.404 4.156 15.463 1.00 50.00 H new ATOM 0 HH21 ARG A 99 1.112 6.264 14.259 1.00 50.00 H new ATOM 0 HH22 ARG A 99 0.532 4.600 14.386 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.176 7.997 16.615 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.267 7.179 17.219 1.00 10.00 C ATOM 1450 C LEU A 100 -6.302 7.359 18.739 1.00 10.00 C ATOM 1451 O LEU A 100 -5.388 6.975 19.441 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.929 5.733 16.857 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.906 5.236 15.789 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.349 5.558 14.401 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.090 3.724 15.929 1.00 10.00 C ATOM 0 H LEU A 100 -4.251 7.857 17.021 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.249 7.475 16.848 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.905 5.668 16.488 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.989 5.101 17.743 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.869 5.731 15.918 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -7.044 5.205 13.639 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.219 6.636 14.302 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.386 5.063 14.272 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.786 3.370 15.168 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -6.128 3.227 15.801 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.487 3.496 16.918 1.00 10.00 H new ATOM 1467 N THR A 101 -7.356 7.934 19.250 1.00 10.00 N ATOM 1468 CA THR A 101 -7.461 8.133 20.724 1.00 10.00 C ATOM 1469 C THR A 101 -8.337 7.035 21.337 1.00 10.00 C ATOM 1470 O THR A 101 -8.611 7.034 22.520 1.00 10.00 O ATOM 1471 CB THR A 101 -8.120 9.502 20.891 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.325 9.762 22.273 1.00 10.00 O ATOM 1473 CG2 THR A 101 -9.464 9.518 20.163 1.00 10.00 C ATOM 0 H THR A 101 -8.151 8.275 18.709 1.00 10.00 H new ATOM 0 HA THR A 101 -6.493 8.085 21.222 1.00 10.00 H new ATOM 0 HB THR A 101 -7.472 10.270 20.468 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.504 10.717 22.403 1.00 10.00 H new ATOM 0 HG21 THR A 101 -9.932 10.495 20.284 1.00 10.00 H new ATOM 0 HG22 THR A 101 -9.306 9.320 19.103 1.00 10.00 H new ATOM 0 HG23 THR A 101 -10.114 8.750 20.583 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.775 6.102 20.536 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.631 5.002 21.067 1.00 10.00 C ATOM 1483 C CYS A 102 -8.817 3.704 21.158 1.00 10.00 C ATOM 1484 O CYS A 102 -7.767 3.669 21.769 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.774 4.871 20.055 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.094 4.560 18.405 1.00 10.00 S ATOM 0 H CYS A 102 -8.577 6.054 19.537 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.006 5.205 22.070 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -11.438 4.057 20.345 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.372 5.782 20.047 1.00 10.00 H new ATOM 0 HG CYS A 102 -11.066 4.447 17.549 1.00 10.00 H new ATOM 1491 N ILE A 103 -9.282 2.637 20.561 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.518 1.357 20.628 1.00 10.00 C ATOM 1493 C ILE A 103 -7.060 1.589 20.217 1.00 10.00 C ATOM 1494 O ILE A 103 -6.707 1.482 19.059 1.00 10.00 O ATOM 1495 CB ILE A 103 -9.215 0.428 19.634 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -10.605 0.066 20.163 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -8.388 -0.848 19.463 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -11.655 0.384 19.096 1.00 50.00 C ATOM 0 H ILE A 103 -10.154 2.597 20.033 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.501 0.938 21.634 1.00 10.00 H new ATOM 0 HB ILE A 103 -9.311 0.931 18.672 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.643 -0.992 20.422 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.816 0.625 21.074 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.884 -1.511 18.754 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -7.397 -0.592 19.088 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.292 -1.351 20.425 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -12.645 0.126 19.472 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -11.622 1.447 18.859 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -11.447 -0.195 18.196 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.212 1.906 21.157 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.780 2.144 20.822 1.00 10.00 C ATOM 1512 C GLY A 104 -4.002 2.448 22.105 1.00 10.00 C ATOM 1513 O GLY A 104 -4.548 2.945 23.069 1.00 10.00 O ATOM 0 H GLY A 104 -6.450 2.010 22.143 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.360 1.268 20.328 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.692 2.977 20.124 1.00 10.00 H new ATOM 1517 N SER A 105 -2.731 2.151 22.125 1.00 10.00 N ATOM 1518 CA SER A 105 -1.923 2.425 23.349 1.00 10.00 C ATOM 1519 C SER A 105 -0.851 3.477 23.052 1.00 10.00 C ATOM 1520 O SER A 105 -0.398 3.604 21.933 1.00 10.00 O ATOM 1521 CB SER A 105 -1.275 1.085 23.703 1.00 10.00 C ATOM 1522 OG SER A 105 -0.360 0.717 22.683 1.00 10.00 O ATOM 0 H SER A 105 -2.218 1.732 21.350 1.00 10.00 H new ATOM 0 HA SER A 105 -2.531 2.814 24.166 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.758 1.160 24.660 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.040 0.317 23.814 1.00 10.00 H new ATOM 0 HG SER A 105 0.056 -0.140 22.911 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.483 4.199 24.076 1.00 10.00 N ATOM 1529 CA PRO A 106 0.549 5.254 23.931 1.00 10.00 C ATOM 1530 C PRO A 106 1.937 4.627 23.776 1.00 10.00 C ATOM 1531 O PRO A 106 2.246 3.623 24.388 1.00 10.00 O ATOM 1532 CB PRO A 106 0.446 6.037 25.236 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.129 5.070 26.224 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.986 4.099 25.451 1.00 10.00 C ATOM 0 HA PRO A 106 0.401 5.881 23.052 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.423 6.397 25.559 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.194 6.912 25.122 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.665 4.544 26.755 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.722 5.593 26.974 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.889 3.085 25.839 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.042 4.364 25.510 1.00 10.00 H new ATOM 1542 N ALA A 107 2.776 5.210 22.964 1.00 10.00 N ATOM 1543 CA ALA A 107 4.143 4.644 22.773 1.00 10.00 C ATOM 1544 C ALA A 107 5.202 5.657 23.215 1.00 10.00 C ATOM 1545 O ALA A 107 6.357 5.324 23.393 1.00 10.00 O ATOM 1546 CB ALA A 107 4.253 4.373 21.273 1.00 50.00 C ATOM 0 H ALA A 107 2.575 6.052 22.425 1.00 10.00 H new ATOM 0 HA ALA A 107 4.302 3.741 23.363 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.234 3.954 21.050 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.480 3.666 20.973 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.124 5.306 20.724 1.00 50.00 H new ATOM 1552 N ALA A 108 4.820 6.892 23.391 1.00 10.00 N ATOM 1553 CA ALA A 108 5.806 7.925 23.819 1.00 10.00 C ATOM 1554 C ALA A 108 5.438 8.467 25.203 1.00 10.00 C ATOM 1555 O ALA A 108 4.291 8.446 25.604 1.00 10.00 O ATOM 1556 CB ALA A 108 5.706 9.028 22.766 1.00 50.00 C ATOM 0 H ALA A 108 3.867 7.231 23.257 1.00 10.00 H new ATOM 0 HA ALA A 108 6.817 7.525 23.895 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.404 9.829 23.011 1.00 50.00 H new ATOM 0 HB2 ALA A 108 5.952 8.619 21.786 1.00 50.00 H new ATOM 0 HB3 ALA A 108 4.691 9.424 22.749 1.00 50.00 H new ATOM 1562 N ASP A 109 6.403 8.952 25.936 1.00 50.00 N ATOM 1563 CA ASP A 109 6.109 9.496 27.293 1.00 50.00 C ATOM 1564 C ASP A 109 5.126 10.666 27.194 1.00 50.00 C ATOM 1565 O ASP A 109 3.937 10.508 27.382 1.00 50.00 O ATOM 1566 CB ASP A 109 7.458 9.974 27.829 1.00 50.00 C ATOM 1567 CG ASP A 109 7.989 8.965 28.848 1.00 50.00 C ATOM 1568 OD1 ASP A 109 8.372 7.882 28.437 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.003 9.292 30.024 1.00 50.00 O ATOM 0 H ASP A 109 7.382 8.995 25.654 1.00 50.00 H new ATOM 0 HA ASP A 109 5.651 8.752 27.945 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.168 10.087 27.009 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.350 10.954 28.294 1.00 50.00 H new ATOM 1574 N GLU A 110 5.615 11.840 26.902 1.00 10.00 N ATOM 1575 CA GLU A 110 4.709 13.019 26.794 1.00 10.00 C ATOM 1576 C GLU A 110 4.129 13.118 25.380 1.00 10.00 C ATOM 1577 O GLU A 110 4.813 13.479 24.442 1.00 10.00 O ATOM 1578 CB GLU A 110 5.593 14.229 27.097 1.00 10.00 C ATOM 1579 CG GLU A 110 4.989 15.025 28.255 1.00 10.00 C ATOM 1580 CD GLU A 110 5.963 16.126 28.679 1.00 50.00 C ATOM 1581 OE1 GLU A 110 5.919 17.190 28.084 1.00 50.00 O ATOM 1582 OE2 GLU A 110 6.737 15.886 29.591 1.00 50.00 O ATOM 0 H GLU A 110 6.602 12.034 26.734 1.00 10.00 H new ATOM 0 HA GLU A 110 3.863 12.951 27.478 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.601 13.902 27.353 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.678 14.861 26.213 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.038 15.463 27.952 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.782 14.364 29.096 1.00 10.00 H new ATOM 1589 N VAL A 111 2.874 12.802 25.220 1.00 10.00 N ATOM 1590 CA VAL A 111 2.249 12.881 23.868 1.00 10.00 C ATOM 1591 C VAL A 111 1.141 13.940 23.864 1.00 10.00 C ATOM 1592 O VAL A 111 0.186 13.855 24.608 1.00 10.00 O ATOM 1593 CB VAL A 111 1.664 11.490 23.621 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.038 11.440 22.225 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.778 10.445 23.720 1.00 12.50 C ATOM 0 H VAL A 111 2.253 12.492 25.967 1.00 10.00 H new ATOM 0 HA VAL A 111 2.964 13.164 23.095 1.00 10.00 H new ATOM 0 HB VAL A 111 0.899 11.278 24.368 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.621 10.449 22.049 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.245 12.185 22.155 1.00 12.50 H new ATOM 0 HG13 VAL A 111 1.801 11.651 21.476 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.363 9.453 23.544 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.542 10.656 22.972 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.223 10.481 24.714 1.00 12.50 H new ATOM 1605 N LYS A 112 1.265 14.941 23.037 1.00 10.00 N ATOM 1606 CA LYS A 112 0.220 16.004 22.995 1.00 10.00 C ATOM 1607 C LYS A 112 -0.758 15.750 21.847 1.00 10.00 C ATOM 1608 O LYS A 112 -0.387 15.260 20.799 1.00 10.00 O ATOM 1609 CB LYS A 112 0.987 17.305 22.767 1.00 25.00 C ATOM 1610 CG LYS A 112 2.056 17.460 23.851 1.00 25.00 C ATOM 1611 CD LYS A 112 2.217 18.938 24.205 1.00 25.00 C ATOM 1612 CE LYS A 112 3.467 19.123 25.067 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.194 20.263 24.442 1.00 25.00 N ATOM 0 H LYS A 112 2.043 15.069 22.390 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.371 16.032 23.910 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.451 17.299 21.781 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.303 18.153 22.792 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.774 16.892 24.738 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.005 17.054 23.501 1.00 25.00 H new ATOM 0 HD2 LYS A 112 2.298 19.534 23.296 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.337 19.292 24.741 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.205 19.341 26.102 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.079 18.221 25.076 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.066 20.453 24.976 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.435 20.024 23.459 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.589 21.109 24.454 1.00 25.00 H new ATOM 1627 N ILE A 113 -2.004 16.085 22.036 1.00 10.00 N ATOM 1628 CA ILE A 113 -3.007 15.869 20.956 1.00 10.00 C ATOM 1629 C ILE A 113 -4.237 16.751 21.188 1.00 10.00 C ATOM 1630 O ILE A 113 -4.722 16.881 22.293 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.381 14.390 21.051 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.523 14.089 20.078 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.827 14.065 22.478 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -4.467 12.615 19.668 1.00 10.00 C ATOM 0 H ILE A 113 -2.371 16.499 22.893 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.614 16.127 19.973 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.515 13.780 20.795 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.482 14.312 20.546 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.442 14.726 19.197 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.093 13.010 22.545 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.013 14.278 23.171 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.693 14.675 22.736 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.280 12.399 18.975 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -3.513 12.408 19.184 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -4.568 11.987 20.553 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.748 17.349 20.149 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.955 18.213 20.308 1.00 10.00 C ATOM 1648 C VAL A 114 -7.210 17.380 20.044 1.00 10.00 C ATOM 1649 O VAL A 114 -7.341 16.754 19.011 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.812 19.324 19.262 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.690 20.512 19.661 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.351 19.778 19.181 1.00 50.00 C ATOM 0 H VAL A 114 -4.385 17.279 19.198 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.040 18.629 21.312 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.125 18.944 18.289 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.590 21.304 18.919 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.731 20.193 19.714 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.375 20.886 20.635 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.256 20.568 18.436 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.033 20.156 20.153 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.723 18.934 18.897 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.126 17.348 20.971 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.354 16.530 20.762 1.00 10.00 C ATOM 1664 C TYR A 115 -10.456 17.361 20.082 1.00 10.00 C ATOM 1665 O TYR A 115 -10.260 18.517 19.745 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.753 16.046 22.173 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.947 16.806 22.709 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.778 18.086 23.245 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.220 16.226 22.669 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.881 18.789 23.741 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.326 16.929 23.164 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.156 18.212 23.700 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.245 18.906 24.187 1.00 50.00 O ATOM 0 H TYR A 115 -8.079 17.849 21.858 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.190 15.684 20.094 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.984 14.981 22.141 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.909 16.169 22.852 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.795 18.532 23.276 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.350 15.236 22.256 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.749 19.777 24.156 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.309 16.482 23.132 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.158 19.013 25.157 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.602 16.758 19.869 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.744 17.458 19.202 1.00 10.00 C ATOM 1685 C ASN A 116 -12.430 17.734 17.728 1.00 10.00 C ATOM 1686 O ASN A 116 -12.876 18.715 17.167 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.944 18.772 19.965 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.105 18.613 20.948 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.732 17.574 21.002 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.421 19.607 21.733 1.00 10.00 N ATOM 0 H ASN A 116 -11.796 15.793 20.135 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.645 16.845 19.222 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.033 19.037 20.501 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.151 19.583 19.267 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.194 19.511 22.391 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -13.895 20.480 21.688 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.681 16.875 17.087 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.360 17.104 15.645 1.00 10.00 C ATOM 1699 C ALA A 117 -12.630 17.459 14.869 1.00 10.00 C ATOM 1700 O ALA A 117 -12.575 18.063 13.816 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.781 15.781 15.149 1.00 50.00 C ATOM 0 H ALA A 117 -11.280 16.031 17.495 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.662 17.930 15.506 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.520 15.871 14.094 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.888 15.536 15.724 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.521 14.990 15.274 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.775 17.091 15.377 1.00 12.50 N ATOM 1708 CA LYS A 118 -15.041 17.415 14.662 1.00 12.50 C ATOM 1709 C LYS A 118 -15.007 18.864 14.165 1.00 12.50 C ATOM 1710 O LYS A 118 -15.674 19.217 13.213 1.00 12.50 O ATOM 1711 CB LYS A 118 -16.148 17.222 15.700 1.00 12.50 C ATOM 1712 CG LYS A 118 -16.034 18.297 16.782 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.253 19.220 16.715 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.487 18.470 17.224 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.888 19.194 18.462 1.00 50.00 N ATOM 0 H LYS A 118 -13.888 16.582 16.253 1.00 12.50 H new ATOM 0 HA LYS A 118 -15.197 16.784 13.787 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -17.125 17.279 15.219 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -16.071 16.232 16.148 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.970 17.832 17.766 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.120 18.874 16.642 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.081 20.112 17.318 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.414 19.554 15.690 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -19.288 18.478 16.484 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.257 17.425 17.434 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.729 18.740 18.873 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -18.108 19.164 19.150 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.107 20.184 18.230 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.233 19.706 14.797 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.158 21.125 14.353 1.00 50.00 C ATOM 1728 C HIS A 119 -13.631 21.194 12.918 1.00 50.00 C ATOM 1729 O HIS A 119 -13.922 22.116 12.183 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.178 21.792 15.318 1.00 50.00 C ATOM 1731 CG HIS A 119 -11.842 21.100 15.244 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -11.069 21.109 14.094 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -11.126 20.382 16.172 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -9.945 20.417 14.355 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -9.929 19.952 15.608 1.00 50.00 N ATOM 0 H HIS A 119 -13.651 19.471 15.601 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.131 21.616 14.362 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.066 22.847 15.067 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.566 21.746 16.335 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -11.444 20.182 17.185 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -9.152 20.257 13.639 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -9.197 19.400 16.055 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.857 20.222 12.514 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.311 20.235 11.127 1.00 12.50 C ATOM 1745 C LEU A 120 -13.422 20.570 10.128 1.00 12.50 C ATOM 1746 O LEU A 120 -14.581 20.656 10.481 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.788 18.817 10.894 1.00 12.50 C ATOM 1748 CG LEU A 120 -10.534 18.876 10.018 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.294 18.993 10.908 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -10.438 17.600 9.179 1.00 12.50 C ATOM 0 H LEU A 120 -12.580 19.422 13.083 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.529 20.983 10.996 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.557 18.341 11.847 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -12.554 18.210 10.412 1.00 12.50 H new ATOM 0 HG LEU A 120 -10.592 19.742 9.359 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.401 19.035 10.284 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.361 19.901 11.508 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.236 18.127 11.567 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -9.545 17.641 8.555 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -10.380 16.734 9.839 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -11.320 17.514 8.545 1.00 12.50 H new