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 (13 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 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 116 ASN : amide:sc= -5.41! C(o=-12!,f=-9.2!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -6.32! C(o=-12!,f=-17!) USER MOD Set 2.1: A 5 TYR OH : rot 7:sc= -0.727! USER MOD Set 2.2: A 57 TYR OH : rot -78:sc= 0.394 USER MOD Set 3.1: A 7 ASN : amide:sc= -0.528 K(o=-0.64,f=-7!) USER MOD Set 3.2: A 10 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 2 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc=-0.00532 (180deg=-1.03!) USER MOD Single : A 37 TYR OH : rot 21:sc= -0.125 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -132:sc= -14.5! (180deg=-20.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 62 SER OG : rot 28:sc= 0.0715 USER MOD Single : A 70 ASN : amide:sc= -1.95! C(o=-2!,f=-5.3!) USER MOD Single : A 73 SER OG : rot -66:sc= 0.569 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.942 (180deg=-0.942) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.436 K(o=-0.44,f=-2.6) USER MOD Single : A 86 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.00763) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 105 SER OG : rot -160:sc= -0.189 USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= 0.0103 (180deg=0) USER MOD Single : A 115 TYR OH : rot -2:sc= 1.24 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.171 K(o=-0.17,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.806 -15.230 13.076 1.00 3.92 N ATOM 2 CA PRO A 1 -18.375 -15.635 13.141 1.00 3.44 C ATOM 3 C PRO A 1 -17.481 -14.406 13.333 1.00 3.50 C ATOM 4 O PRO A 1 -16.851 -13.933 12.405 1.00 4.94 O ATOM 5 CB PRO A 1 -18.117 -16.288 11.789 1.00 2.00 C ATOM 6 CG PRO A 1 -19.133 -15.689 10.876 1.00 4.99 C ATOM 7 CD PRO A 1 -20.341 -15.374 11.718 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.901 -14.261 13.380 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.353 -15.800 13.721 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.159 -16.303 13.975 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.104 -16.087 11.440 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.226 -17.371 11.846 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -18.745 -14.787 10.404 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.390 -16.382 10.075 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -20.831 -14.460 11.384 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.082 -16.171 11.665 1.00 3.38 H new ATOM 17 N THR A 2 -17.420 -13.886 14.529 1.00 3.08 N ATOM 18 CA THR A 2 -16.570 -12.688 14.782 1.00 2.08 C ATOM 19 C THR A 2 -15.338 -13.076 15.607 1.00 2.52 C ATOM 20 O THR A 2 -15.424 -13.832 16.554 1.00 2.28 O ATOM 21 CB THR A 2 -17.461 -11.728 15.571 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.807 -11.871 15.136 1.00 3.73 O ATOM 23 CG2 THR A 2 -16.998 -10.289 15.341 1.00 3.09 C ATOM 0 H THR A 2 -17.923 -14.240 15.343 1.00 3.08 H new ATOM 0 HA THR A 2 -16.205 -12.240 13.858 1.00 2.08 H new ATOM 0 HB THR A 2 -17.394 -11.960 16.634 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.209 -12.654 15.567 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.635 -9.607 15.905 1.00 3.09 H new ATOM 0 HG22 THR A 2 -15.966 -10.181 15.675 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.062 -10.051 14.279 1.00 3.09 H new ATOM 31 N VAL A 3 -14.191 -12.563 15.252 1.00 10.00 N ATOM 32 CA VAL A 3 -12.954 -12.901 16.014 1.00 10.00 C ATOM 33 C VAL A 3 -12.138 -11.632 16.281 1.00 10.00 C ATOM 34 O VAL A 3 -11.684 -10.976 15.370 1.00 10.00 O ATOM 35 CB VAL A 3 -12.178 -13.854 15.105 1.00 10.00 C ATOM 36 CG1 VAL A 3 -10.791 -14.110 15.699 1.00 10.00 C ATOM 37 CG2 VAL A 3 -12.935 -15.178 14.988 1.00 10.00 C ATOM 0 H VAL A 3 -14.057 -11.925 14.468 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.173 -13.350 16.983 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.073 -13.407 14.116 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.237 -14.790 15.051 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.251 -13.167 15.782 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -10.895 -14.556 16.688 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.382 -15.857 14.340 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.041 -15.625 15.976 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -13.923 -14.996 14.564 1.00 10.00 H new ATOM 47 N GLU A 4 -11.951 -11.283 17.524 1.00 10.00 N ATOM 48 CA GLU A 4 -11.165 -10.055 17.840 1.00 10.00 C ATOM 49 C GLU A 4 -9.669 -10.376 17.876 1.00 10.00 C ATOM 50 O GLU A 4 -9.193 -11.051 18.767 1.00 10.00 O ATOM 51 CB GLU A 4 -11.651 -9.622 19.224 1.00 50.00 C ATOM 52 CG GLU A 4 -11.788 -8.098 19.265 1.00 50.00 C ATOM 53 CD GLU A 4 -12.424 -7.679 20.592 1.00 50.00 C ATOM 54 OE1 GLU A 4 -12.808 -8.557 21.346 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.517 -6.486 20.830 1.00 50.00 O ATOM 0 H GLU A 4 -12.307 -11.793 18.333 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.303 -9.273 17.093 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.610 -10.090 19.447 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -10.949 -9.955 19.988 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.809 -7.631 19.155 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.401 -7.755 18.431 1.00 50.00 H new ATOM 62 N TYR A 5 -8.922 -9.901 16.917 1.00 10.00 N ATOM 63 CA TYR A 5 -7.458 -10.187 16.911 1.00 10.00 C ATOM 64 C TYR A 5 -6.699 -9.099 17.675 1.00 10.00 C ATOM 65 O TYR A 5 -7.055 -7.937 17.641 1.00 10.00 O ATOM 66 CB TYR A 5 -7.049 -10.204 15.435 1.00 10.00 C ATOM 67 CG TYR A 5 -7.347 -8.866 14.797 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.584 -7.742 15.133 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.384 -8.753 13.863 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.858 -6.505 14.536 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.658 -7.517 13.266 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.895 -6.393 13.603 1.00 50.00 C ATOM 73 OH TYR A 5 -8.164 -5.175 13.013 1.00 50.00 O ATOM 0 H TYR A 5 -9.259 -9.331 16.141 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.226 -11.133 17.400 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.986 -10.429 15.347 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.586 -10.994 14.910 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.784 -7.828 15.853 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.973 -9.620 13.603 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.269 -5.638 14.796 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.458 -7.431 12.546 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.478 -4.526 13.275 1.00 50.00 H new ATOM 83 N LEU A 6 -5.656 -9.469 18.366 1.00 10.00 N ATOM 84 CA LEU A 6 -4.870 -8.461 19.135 1.00 10.00 C ATOM 85 C LEU A 6 -3.372 -8.668 18.894 1.00 10.00 C ATOM 86 O LEU A 6 -2.893 -9.782 18.820 1.00 10.00 O ATOM 87 CB LEU A 6 -5.217 -8.720 20.601 1.00 12.50 C ATOM 88 CG LEU A 6 -5.733 -7.429 21.242 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.964 -7.658 22.737 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.702 -6.315 21.050 1.00 50.00 C ATOM 0 H LEU A 6 -5.313 -10.427 18.432 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.104 -7.439 18.837 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -5.973 -9.502 20.674 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.337 -9.077 21.136 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.672 -7.140 20.769 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.331 -6.739 23.193 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.700 -8.451 22.874 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.026 -7.948 23.210 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.070 -5.396 21.507 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.763 -6.604 21.521 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.538 -6.151 19.985 1.00 50.00 H new ATOM 102 N ASN A 7 -2.630 -7.603 18.771 1.00 10.00 N ATOM 103 CA ASN A 7 -1.165 -7.738 18.534 1.00 10.00 C ATOM 104 C ASN A 7 -0.463 -8.219 19.806 1.00 10.00 C ATOM 105 O ASN A 7 -0.453 -7.540 20.814 1.00 10.00 O ATOM 106 CB ASN A 7 -0.696 -6.331 18.165 1.00 10.00 C ATOM 107 CG ASN A 7 0.800 -6.359 17.851 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.390 -7.416 17.746 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.444 -5.235 17.697 1.00 12.50 N ATOM 0 H ASN A 7 -2.975 -6.644 18.824 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.938 -8.464 17.754 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.253 -5.965 17.302 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.893 -5.643 18.987 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.442 -5.244 17.489 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.949 -4.347 17.785 1.00 12.50 H new ATOM 116 N TYR A 8 0.130 -9.382 19.770 1.00 50.00 N ATOM 117 CA TYR A 8 0.832 -9.892 20.983 1.00 50.00 C ATOM 118 C TYR A 8 1.876 -8.876 21.447 1.00 50.00 C ATOM 119 O TYR A 8 2.262 -8.845 22.599 1.00 50.00 O ATOM 120 CB TYR A 8 1.511 -11.188 20.540 1.00 50.00 C ATOM 121 CG TYR A 8 2.520 -11.609 21.582 1.00 50.00 C ATOM 122 CD1 TYR A 8 2.115 -12.378 22.680 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.861 -11.225 21.454 1.00 50.00 C ATOM 124 CE1 TYR A 8 3.050 -12.765 23.647 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.796 -11.612 22.422 1.00 50.00 C ATOM 126 CZ TYR A 8 4.390 -12.382 23.518 1.00 50.00 C ATOM 127 OH TYR A 8 5.311 -12.764 24.473 1.00 50.00 O ATOM 0 H TYR A 8 0.159 -9.998 18.958 1.00 50.00 H new ATOM 0 HA TYR A 8 0.148 -10.057 21.816 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.767 -11.972 20.401 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.004 -11.043 19.579 1.00 50.00 H new ATOM 0 HD1 TYR A 8 1.081 -12.673 22.781 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.174 -10.630 20.609 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.737 -13.359 24.493 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.830 -11.316 22.323 1.00 50.00 H new ATOM 0 HH TYR A 8 6.195 -12.416 24.232 1.00 50.00 H new ATOM 137 N GLU A 9 2.336 -8.043 20.556 1.00 25.00 N ATOM 138 CA GLU A 9 3.355 -7.027 20.944 1.00 25.00 C ATOM 139 C GLU A 9 2.707 -5.934 21.795 1.00 25.00 C ATOM 140 O GLU A 9 3.266 -5.482 22.774 1.00 25.00 O ATOM 141 CB GLU A 9 3.863 -6.451 19.622 1.00 50.00 C ATOM 142 CG GLU A 9 5.379 -6.634 19.535 1.00 50.00 C ATOM 143 CD GLU A 9 5.977 -5.520 18.673 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.287 -4.541 18.442 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.116 -5.666 18.259 1.00 50.00 O ATOM 0 H GLU A 9 2.051 -8.021 19.577 1.00 25.00 H new ATOM 0 HA GLU A 9 4.164 -7.454 21.537 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.377 -6.951 18.784 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.609 -5.393 19.552 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.817 -6.611 20.533 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.615 -7.608 19.105 1.00 50.00 H new ATOM 152 N THR A 10 1.528 -5.510 21.431 1.00 50.00 N ATOM 153 CA THR A 10 0.844 -4.450 22.222 1.00 50.00 C ATOM 154 C THR A 10 0.589 -4.943 23.648 1.00 50.00 C ATOM 155 O THR A 10 0.545 -4.168 24.585 1.00 50.00 O ATOM 156 CB THR A 10 -0.480 -4.203 21.498 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.221 -3.629 20.224 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.344 -3.249 22.325 1.00 50.00 C ATOM 0 H THR A 10 1.010 -5.851 20.621 1.00 50.00 H new ATOM 0 HA THR A 10 1.441 -3.541 22.298 1.00 50.00 H new ATOM 0 HB THR A 10 -1.008 -5.148 21.370 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.068 -3.472 19.758 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.288 -3.073 21.809 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.541 -3.691 23.302 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.819 -2.302 22.454 1.00 50.00 H new ATOM 166 N LEU A 11 0.420 -6.224 23.824 1.00 50.00 N ATOM 167 CA LEU A 11 0.167 -6.760 25.191 1.00 50.00 C ATOM 168 C LEU A 11 1.409 -6.574 26.069 1.00 50.00 C ATOM 169 O LEU A 11 1.317 -6.181 27.215 1.00 50.00 O ATOM 170 CB LEU A 11 -0.131 -8.244 24.988 1.00 50.00 C ATOM 171 CG LEU A 11 -1.099 -8.721 26.072 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.452 -10.190 25.830 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.439 -8.575 27.444 1.00 50.00 C ATOM 0 H LEU A 11 0.446 -6.923 23.081 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.655 -6.247 25.691 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -0.564 -8.408 24.001 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.793 -8.821 25.031 1.00 50.00 H new ATOM 0 HG LEU A 11 -2.007 -8.119 26.039 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -2.142 -10.530 26.602 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -1.922 -10.295 24.852 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -0.544 -10.793 25.863 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.128 -8.915 28.217 1.00 50.00 H new ATOM 0 HD22 LEU A 11 0.469 -9.177 27.477 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.187 -7.529 27.617 1.00 50.00 H new ATOM 185 N ASP A 12 2.569 -6.854 25.540 1.00 50.00 N ATOM 186 CA ASP A 12 3.815 -6.693 26.345 1.00 50.00 C ATOM 187 C ASP A 12 4.234 -5.221 26.381 1.00 50.00 C ATOM 188 O ASP A 12 4.670 -4.714 27.396 1.00 50.00 O ATOM 189 CB ASP A 12 4.866 -7.534 25.622 1.00 50.00 C ATOM 190 CG ASP A 12 5.718 -8.281 26.651 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.161 -9.075 27.389 1.00 50.00 O ATOM 192 OD2 ASP A 12 6.915 -8.044 26.682 1.00 50.00 O ATOM 0 H ASP A 12 2.708 -7.187 24.586 1.00 50.00 H new ATOM 0 HA ASP A 12 3.683 -7.010 27.379 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.381 -8.244 24.952 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.498 -6.894 25.006 1.00 50.00 H new ATOM 197 N ASP A 13 4.108 -4.531 25.280 1.00 50.00 N ATOM 198 CA ASP A 13 4.501 -3.093 25.251 1.00 50.00 C ATOM 199 C ASP A 13 3.662 -2.296 26.254 1.00 50.00 C ATOM 200 O ASP A 13 4.186 -1.590 27.095 1.00 50.00 O ATOM 201 CB ASP A 13 4.209 -2.630 23.824 1.00 50.00 C ATOM 202 CG ASP A 13 4.535 -1.141 23.694 1.00 50.00 C ATOM 203 OD1 ASP A 13 4.931 -0.553 24.687 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.380 -0.613 22.605 1.00 50.00 O ATOM 0 H ASP A 13 3.750 -4.901 24.399 1.00 50.00 H new ATOM 0 HA ASP A 13 5.547 -2.946 25.521 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.803 -3.206 23.115 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.161 -2.806 23.580 1.00 50.00 H new ATOM 209 N GLN A 14 2.364 -2.400 26.171 1.00 50.00 N ATOM 210 CA GLN A 14 1.491 -1.649 27.118 1.00 50.00 C ATOM 211 C GLN A 14 1.573 -2.265 28.517 1.00 50.00 C ATOM 212 O GLN A 14 1.359 -1.602 29.512 1.00 50.00 O ATOM 213 CB GLN A 14 0.079 -1.791 26.551 1.00 50.00 C ATOM 214 CG GLN A 14 -0.757 -0.572 26.949 1.00 50.00 C ATOM 215 CD GLN A 14 -0.883 0.373 25.752 1.00 50.00 C ATOM 216 OE1 GLN A 14 0.102 0.897 25.271 1.00 50.00 O ATOM 217 NE2 GLN A 14 -2.062 0.614 25.248 1.00 50.00 N ATOM 0 H GLN A 14 1.869 -2.973 25.488 1.00 50.00 H new ATOM 0 HA GLN A 14 1.789 -0.605 27.214 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.119 -1.879 25.465 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.385 -2.702 26.928 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -1.746 -0.889 27.282 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -0.289 -0.055 27.787 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -2.889 0.174 25.652 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -2.157 1.242 24.450 1.00 50.00 H new ATOM 226 N GLY A 15 1.880 -3.531 28.602 1.00 50.00 N ATOM 227 CA GLY A 15 1.973 -4.186 29.936 1.00 50.00 C ATOM 228 C GLY A 15 0.564 -4.479 30.458 1.00 50.00 C ATOM 229 O GLY A 15 0.255 -4.236 31.608 1.00 50.00 O ATOM 0 H GLY A 15 2.070 -4.139 27.805 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.544 -5.111 29.860 1.00 50.00 H new ATOM 0 HA3 GLY A 15 2.504 -3.540 30.635 1.00 50.00 H new ATOM 233 N TRP A 16 -0.292 -4.998 29.623 1.00 50.00 N ATOM 234 CA TRP A 16 -1.680 -5.305 30.072 1.00 50.00 C ATOM 235 C TRP A 16 -1.797 -6.786 30.449 1.00 50.00 C ATOM 236 O TRP A 16 -0.845 -7.534 30.365 1.00 50.00 O ATOM 237 CB TRP A 16 -2.564 -4.987 28.866 1.00 50.00 C ATOM 238 CG TRP A 16 -3.358 -3.750 29.140 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.709 -3.684 29.166 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.877 -2.404 29.426 1.00 50.00 C ATOM 241 NE1 TRP A 16 -5.088 -2.385 29.449 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.995 -1.558 29.618 1.00 50.00 C ATOM 243 CE3 TRP A 16 -1.592 -1.840 29.537 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.845 -0.202 29.909 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -1.438 -0.476 29.831 1.00 50.00 C ATOM 246 CH2 TRP A 16 -2.562 0.342 30.016 1.00 50.00 C ATOM 0 H TRP A 16 -0.091 -5.223 28.649 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.968 -4.729 30.952 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.948 -4.847 27.978 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.233 -5.823 28.662 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -5.382 -4.511 28.994 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -6.057 -2.075 29.524 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -0.719 -2.460 29.395 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.714 0.423 30.051 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -0.448 -0.054 29.915 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -2.436 1.391 30.241 1.00 50.00 H new ATOM 257 N ASP A 17 -2.960 -7.212 30.863 1.00 50.00 N ATOM 258 CA ASP A 17 -3.136 -8.643 31.243 1.00 50.00 C ATOM 259 C ASP A 17 -3.758 -9.422 30.081 1.00 50.00 C ATOM 260 O ASP A 17 -4.013 -8.880 29.024 1.00 50.00 O ATOM 261 CB ASP A 17 -4.082 -8.622 32.443 1.00 50.00 C ATOM 262 CG ASP A 17 -3.308 -8.995 33.709 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.222 -8.470 33.892 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.813 -9.800 34.474 1.00 50.00 O ATOM 0 H ASP A 17 -3.794 -6.632 30.954 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.189 -9.128 31.482 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.525 -7.632 32.553 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.902 -9.323 32.286 1.00 50.00 H new ATOM 269 N MET A 18 -4.005 -10.689 30.268 1.00 50.00 N ATOM 270 CA MET A 18 -4.610 -11.499 29.171 1.00 50.00 C ATOM 271 C MET A 18 -6.121 -11.262 29.108 1.00 50.00 C ATOM 272 O MET A 18 -6.679 -11.022 28.056 1.00 50.00 O ATOM 273 CB MET A 18 -4.310 -12.952 29.539 1.00 50.00 C ATOM 274 CG MET A 18 -2.908 -13.322 29.050 1.00 50.00 C ATOM 275 SD MET A 18 -1.676 -12.395 29.998 1.00 50.00 S ATOM 276 CE MET A 18 -0.825 -13.820 30.719 1.00 50.00 C ATOM 0 H MET A 18 -3.815 -11.199 31.131 1.00 50.00 H new ATOM 0 HA MET A 18 -4.207 -11.235 28.193 1.00 50.00 H new ATOM 0 HB2 MET A 18 -4.378 -13.087 30.619 1.00 50.00 H new ATOM 0 HB3 MET A 18 -5.050 -13.613 29.088 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.741 -14.393 29.166 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.810 -13.097 27.988 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.010 -13.474 31.355 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.529 -14.401 31.315 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.423 -14.445 29.922 1.00 50.00 H new ATOM 286 N ASP A 19 -6.789 -11.331 30.228 1.00 50.00 N ATOM 287 CA ASP A 19 -8.265 -11.115 30.230 1.00 50.00 C ATOM 288 C ASP A 19 -8.677 -10.251 31.427 1.00 50.00 C ATOM 289 O ASP A 19 -9.847 -10.024 31.664 1.00 50.00 O ATOM 290 CB ASP A 19 -8.866 -12.514 30.350 1.00 50.00 C ATOM 291 CG ASP A 19 -8.454 -13.131 31.688 1.00 50.00 C ATOM 292 OD1 ASP A 19 -7.287 -13.029 32.029 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.312 -13.693 32.349 1.00 50.00 O ATOM 0 H ASP A 19 -6.377 -11.527 31.140 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.606 -10.596 29.334 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.953 -12.462 30.280 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.523 -13.141 29.527 1.00 50.00 H new ATOM 298 N ASP A 20 -7.730 -9.772 32.184 1.00 50.00 N ATOM 299 CA ASP A 20 -8.076 -8.929 33.364 1.00 50.00 C ATOM 300 C ASP A 20 -8.406 -7.501 32.921 1.00 50.00 C ATOM 301 O ASP A 20 -9.501 -7.016 33.124 1.00 50.00 O ATOM 302 CB ASP A 20 -6.823 -8.940 34.242 1.00 50.00 C ATOM 303 CG ASP A 20 -7.196 -8.525 35.667 1.00 50.00 C ATOM 304 OD1 ASP A 20 -8.371 -8.584 35.991 1.00 50.00 O ATOM 305 OD2 ASP A 20 -6.301 -8.155 36.409 1.00 50.00 O ATOM 0 H ASP A 20 -6.733 -9.927 32.038 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.950 -9.306 33.895 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -6.377 -9.935 34.246 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -6.076 -8.258 33.837 1.00 50.00 H new ATOM 310 N ASP A 21 -7.466 -6.823 32.320 1.00 50.00 N ATOM 311 CA ASP A 21 -7.726 -5.424 31.869 1.00 50.00 C ATOM 312 C ASP A 21 -8.499 -5.425 30.547 1.00 50.00 C ATOM 313 O ASP A 21 -8.703 -4.395 29.936 1.00 50.00 O ATOM 314 CB ASP A 21 -6.340 -4.808 31.677 1.00 50.00 C ATOM 315 CG ASP A 21 -5.893 -4.142 32.980 1.00 50.00 C ATOM 316 OD1 ASP A 21 -6.705 -4.048 33.885 1.00 50.00 O ATOM 317 OD2 ASP A 21 -4.743 -3.737 33.050 1.00 50.00 O ATOM 0 H ASP A 21 -6.530 -7.176 32.122 1.00 50.00 H new ATOM 0 HA ASP A 21 -8.327 -4.865 32.586 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.625 -5.578 31.386 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.365 -4.075 30.871 1.00 50.00 H new ATOM 322 N ASP A 22 -8.929 -6.573 30.099 1.00 50.00 N ATOM 323 CA ASP A 22 -9.685 -6.632 28.816 1.00 50.00 C ATOM 324 C ASP A 22 -8.999 -5.758 27.764 1.00 50.00 C ATOM 325 O ASP A 22 -9.608 -4.899 27.159 1.00 50.00 O ATOM 326 CB ASP A 22 -11.074 -6.086 29.147 1.00 50.00 C ATOM 327 CG ASP A 22 -11.784 -7.043 30.108 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.332 -7.161 31.235 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.766 -7.640 29.700 1.00 50.00 O ATOM 0 H ASP A 22 -8.790 -7.470 30.564 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.734 -7.642 28.409 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.990 -5.097 29.598 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.658 -5.971 28.234 1.00 50.00 H new ATOM 334 N LEU A 23 -7.730 -5.973 27.545 1.00 50.00 N ATOM 335 CA LEU A 23 -6.997 -5.156 26.533 1.00 50.00 C ATOM 336 C LEU A 23 -7.845 -4.987 25.271 1.00 50.00 C ATOM 337 O LEU A 23 -7.848 -3.943 24.649 1.00 50.00 O ATOM 338 CB LEU A 23 -5.727 -5.952 26.227 1.00 50.00 C ATOM 339 CG LEU A 23 -4.859 -5.176 25.233 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.756 -3.713 25.671 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.459 -5.792 25.189 1.00 50.00 C ATOM 0 H LEU A 23 -7.169 -6.678 28.022 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.772 -4.153 26.897 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.170 -6.134 27.146 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.988 -6.926 25.814 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.312 -5.227 24.243 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.137 -3.163 24.961 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -5.752 -3.272 25.702 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.305 -3.661 26.662 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.841 -5.240 24.481 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.008 -5.743 26.180 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.529 -6.833 24.874 1.00 50.00 H new ATOM 353 N PHE A 24 -8.566 -6.005 24.888 1.00 50.00 N ATOM 354 CA PHE A 24 -9.414 -5.901 23.667 1.00 50.00 C ATOM 355 C PHE A 24 -10.329 -4.680 23.772 1.00 50.00 C ATOM 356 O PHE A 24 -10.813 -4.165 22.784 1.00 50.00 O ATOM 357 CB PHE A 24 -10.236 -7.190 23.644 1.00 50.00 C ATOM 358 CG PHE A 24 -9.407 -8.302 23.050 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.147 -8.322 21.674 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.897 -9.311 23.874 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.377 -9.354 21.123 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.125 -10.342 23.323 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.866 -10.363 21.947 1.00 50.00 C ATOM 0 H PHE A 24 -8.604 -6.904 25.368 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.824 -5.782 22.758 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.548 -7.454 24.655 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.144 -7.045 23.058 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.540 -7.542 21.038 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.098 -9.295 24.935 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.178 -9.371 20.062 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.730 -11.120 23.959 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.272 -11.158 21.522 1.00 50.00 H new ATOM 373 N GLU A 25 -10.566 -4.213 24.966 1.00 50.00 N ATOM 374 CA GLU A 25 -11.448 -3.023 25.142 1.00 50.00 C ATOM 375 C GLU A 25 -10.604 -1.773 25.402 1.00 50.00 C ATOM 376 O GLU A 25 -10.933 -0.689 24.962 1.00 50.00 O ATOM 377 CB GLU A 25 -12.313 -3.348 26.361 1.00 50.00 C ATOM 378 CG GLU A 25 -13.593 -2.512 26.316 1.00 50.00 C ATOM 379 CD GLU A 25 -14.795 -3.403 26.634 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.923 -3.808 27.778 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.569 -3.665 25.729 1.00 50.00 O ATOM 0 H GLU A 25 -10.187 -4.603 25.829 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.050 -2.821 24.256 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.560 -4.410 26.372 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.762 -3.139 27.278 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.532 -1.695 27.035 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.711 -2.061 25.331 1.00 50.00 H new ATOM 388 N LYS A 26 -9.522 -1.914 26.116 1.00 50.00 N ATOM 389 CA LYS A 26 -8.659 -0.733 26.406 1.00 50.00 C ATOM 390 C LYS A 26 -7.839 -0.356 25.168 1.00 50.00 C ATOM 391 O LYS A 26 -7.432 0.777 25.003 1.00 50.00 O ATOM 392 CB LYS A 26 -7.741 -1.183 27.542 1.00 50.00 C ATOM 393 CG LYS A 26 -8.382 -0.828 28.885 1.00 50.00 C ATOM 394 CD LYS A 26 -7.445 0.094 29.669 1.00 50.00 C ATOM 395 CE LYS A 26 -7.812 0.051 31.154 1.00 50.00 C ATOM 396 NZ LYS A 26 -9.283 0.295 31.194 1.00 50.00 N ATOM 0 H LYS A 26 -9.197 -2.796 26.512 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.242 0.147 26.677 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.569 -2.258 27.481 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.768 -0.699 27.452 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.342 -0.337 28.724 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.580 -1.735 29.457 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -6.410 -0.218 29.530 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.523 1.114 29.293 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -7.559 -0.913 31.595 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -7.270 0.811 31.717 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -9.544 0.695 32.118 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -9.545 0.963 30.441 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -9.788 -0.603 31.051 1.00 50.00 H new ATOM 410 N ALA A 27 -7.594 -1.296 24.297 1.00 50.00 N ATOM 411 CA ALA A 27 -6.802 -0.985 23.071 1.00 50.00 C ATOM 412 C ALA A 27 -7.536 0.057 22.224 1.00 50.00 C ATOM 413 O ALA A 27 -6.929 0.853 21.536 1.00 50.00 O ATOM 414 CB ALA A 27 -6.699 -2.312 22.318 1.00 50.00 C ATOM 0 H ALA A 27 -7.906 -2.263 24.380 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.820 -0.573 23.305 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.128 -2.166 21.401 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.196 -3.048 22.945 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.699 -2.669 22.071 1.00 50.00 H new ATOM 420 N ALA A 28 -8.840 0.059 22.272 1.00 50.00 N ATOM 421 CA ALA A 28 -9.616 1.050 21.473 1.00 50.00 C ATOM 422 C ALA A 28 -9.452 2.450 22.069 1.00 50.00 C ATOM 423 O ALA A 28 -9.734 3.445 21.431 1.00 50.00 O ATOM 424 CB ALA A 28 -11.070 0.589 21.577 1.00 50.00 C ATOM 0 H ALA A 28 -9.402 -0.583 22.830 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.279 1.104 20.438 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.709 1.269 21.013 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.163 -0.418 21.169 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.377 0.586 22.623 1.00 50.00 H new ATOM 430 N ASP A 29 -8.994 2.533 23.288 1.00 50.00 N ATOM 431 CA ASP A 29 -8.809 3.868 23.926 1.00 50.00 C ATOM 432 C ASP A 29 -7.457 4.459 23.519 1.00 50.00 C ATOM 433 O ASP A 29 -7.213 5.640 23.668 1.00 50.00 O ATOM 434 CB ASP A 29 -8.845 3.597 25.429 1.00 50.00 C ATOM 435 CG ASP A 29 -9.848 4.540 26.095 1.00 50.00 C ATOM 436 OD1 ASP A 29 -9.696 5.740 25.939 1.00 50.00 O ATOM 437 OD2 ASP A 29 -10.752 4.045 26.749 1.00 50.00 O ATOM 0 H ASP A 29 -8.740 1.735 23.870 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.575 4.583 23.624 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.126 2.560 25.615 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -7.854 3.741 25.859 1.00 50.00 H new ATOM 442 N ALA A 30 -6.576 3.644 23.005 1.00 50.00 N ATOM 443 CA ALA A 30 -5.240 4.155 22.587 1.00 50.00 C ATOM 444 C ALA A 30 -5.231 4.427 21.082 1.00 50.00 C ATOM 445 O ALA A 30 -4.576 5.333 20.607 1.00 50.00 O ATOM 446 CB ALA A 30 -4.261 3.035 22.937 1.00 50.00 C ATOM 0 H ALA A 30 -6.724 2.646 22.857 1.00 50.00 H new ATOM 0 HA ALA A 30 -4.979 5.091 23.082 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.251 3.335 22.659 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.300 2.840 24.009 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.534 2.130 22.393 1.00 50.00 H new ATOM 452 N GLY A 31 -5.958 3.649 20.329 1.00 50.00 N ATOM 453 CA GLY A 31 -5.996 3.860 18.855 1.00 50.00 C ATOM 454 C GLY A 31 -4.801 3.162 18.203 1.00 50.00 C ATOM 455 O GLY A 31 -4.183 3.689 17.300 1.00 50.00 O ATOM 0 H GLY A 31 -6.528 2.875 20.671 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.927 3.467 18.446 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.974 4.926 18.630 1.00 50.00 H new ATOM 459 N LEU A 32 -4.472 1.981 18.650 1.00 50.00 N ATOM 460 CA LEU A 32 -3.316 1.256 18.048 1.00 50.00 C ATOM 461 C LEU A 32 -3.561 1.022 16.556 1.00 50.00 C ATOM 462 O LEU A 32 -4.507 1.529 15.985 1.00 50.00 O ATOM 463 CB LEU A 32 -3.253 -0.079 18.790 1.00 50.00 C ATOM 464 CG LEU A 32 -2.993 0.173 20.276 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.921 -0.712 21.110 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.536 -0.164 20.601 1.00 50.00 C ATOM 0 H LEU A 32 -4.951 1.488 19.403 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.386 1.818 18.138 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.189 -0.623 18.661 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.462 -0.702 18.372 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.184 1.221 20.509 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.738 -0.534 22.170 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.959 -0.473 20.876 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.729 -1.760 20.879 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.349 0.015 21.660 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.345 -1.212 20.371 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -0.875 0.465 20.004 1.00 50.00 H new ATOM 478 N ASP A 33 -2.719 0.255 15.920 1.00 50.00 N ATOM 479 CA ASP A 33 -2.910 -0.014 14.466 1.00 50.00 C ATOM 480 C ASP A 33 -4.128 -0.916 14.259 1.00 50.00 C ATOM 481 O ASP A 33 -4.610 -1.544 15.181 1.00 50.00 O ATOM 482 CB ASP A 33 -1.632 -0.725 14.022 1.00 50.00 C ATOM 483 CG ASP A 33 -0.461 0.260 14.058 1.00 50.00 C ATOM 484 OD1 ASP A 33 -0.713 1.451 13.975 1.00 50.00 O ATOM 485 OD2 ASP A 33 0.666 -0.193 14.170 1.00 50.00 O ATOM 0 H ASP A 33 -1.908 -0.197 16.343 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.085 0.897 13.894 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.428 -1.572 14.677 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.756 -1.123 13.015 1.00 50.00 H new ATOM 490 N GLY A 34 -4.633 -0.983 13.058 1.00 50.00 N ATOM 491 CA GLY A 34 -5.822 -1.843 12.801 1.00 50.00 C ATOM 492 C GLY A 34 -5.392 -3.309 12.742 1.00 50.00 C ATOM 493 O GLY A 34 -6.067 -4.186 13.243 1.00 50.00 O ATOM 0 H GLY A 34 -4.275 -0.481 12.246 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.562 -1.702 13.589 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.296 -1.555 11.863 1.00 50.00 H new ATOM 497 N GLU A 35 -4.274 -3.581 12.131 1.00 50.00 N ATOM 498 CA GLU A 35 -3.800 -4.993 12.035 1.00 50.00 C ATOM 499 C GLU A 35 -3.390 -5.519 13.413 1.00 50.00 C ATOM 500 O GLU A 35 -3.254 -6.710 13.616 1.00 50.00 O ATOM 501 CB GLU A 35 -2.588 -4.939 11.104 1.00 50.00 C ATOM 502 CG GLU A 35 -2.917 -4.077 9.884 1.00 50.00 C ATOM 503 CD GLU A 35 -1.998 -2.854 9.860 1.00 50.00 C ATOM 504 OE1 GLU A 35 -0.861 -2.985 10.284 1.00 50.00 O ATOM 505 OE2 GLU A 35 -2.446 -1.808 9.420 1.00 50.00 O ATOM 0 H GLU A 35 -3.666 -2.888 11.693 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.577 -5.660 11.663 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.729 -4.526 11.633 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -2.314 -5.946 10.788 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -2.791 -4.658 8.970 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -3.960 -3.761 9.919 1.00 50.00 H new ATOM 512 N ASP A 36 -3.190 -4.646 14.361 1.00 50.00 N ATOM 513 CA ASP A 36 -2.785 -5.104 15.722 1.00 50.00 C ATOM 514 C ASP A 36 -4.020 -5.352 16.594 1.00 50.00 C ATOM 515 O ASP A 36 -4.104 -6.339 17.297 1.00 50.00 O ATOM 516 CB ASP A 36 -1.947 -3.958 16.292 1.00 50.00 C ATOM 517 CG ASP A 36 -0.607 -3.892 15.557 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.252 -4.872 14.922 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.042 -2.863 15.641 1.00 50.00 O ATOM 0 H ASP A 36 -3.289 -3.637 14.254 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.230 -6.041 15.691 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.481 -3.014 16.183 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.782 -4.110 17.359 1.00 50.00 H new ATOM 524 N TYR A 37 -4.977 -4.467 16.557 1.00 12.50 N ATOM 525 CA TYR A 37 -6.200 -4.659 17.389 1.00 12.50 C ATOM 526 C TYR A 37 -7.452 -4.303 16.579 1.00 12.50 C ATOM 527 O TYR A 37 -7.585 -3.209 16.070 1.00 12.50 O ATOM 528 CB TYR A 37 -6.024 -3.701 18.573 1.00 12.50 C ATOM 529 CG TYR A 37 -7.363 -3.419 19.215 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.107 -4.464 19.777 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.861 -2.110 19.246 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.347 -4.200 20.370 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.101 -1.847 19.839 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.844 -2.891 20.401 1.00 12.50 C ATOM 535 OH TYR A 37 -11.066 -2.630 20.985 1.00 50.00 O ATOM 0 H TYR A 37 -4.966 -3.620 15.988 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.324 -5.691 17.718 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.345 -4.137 19.306 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.571 -2.770 18.233 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.724 -5.473 19.753 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.288 -1.304 18.812 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.921 -5.006 20.804 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.485 -0.838 19.863 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.295 -3.355 21.603 1.00 50.00 H new ATOM 545 N GLY A 38 -8.372 -5.222 16.461 1.00 10.00 N ATOM 546 CA GLY A 38 -9.614 -4.936 15.688 1.00 10.00 C ATOM 547 C GLY A 38 -10.514 -6.173 15.692 1.00 10.00 C ATOM 548 O GLY A 38 -10.086 -7.263 16.011 1.00 10.00 O ATOM 0 H GLY A 38 -8.317 -6.157 16.866 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.141 -4.089 16.126 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.362 -4.660 14.664 1.00 10.00 H new ATOM 552 N THR A 39 -11.759 -6.011 15.337 1.00 10.00 N ATOM 553 CA THR A 39 -12.687 -7.179 15.319 1.00 10.00 C ATOM 554 C THR A 39 -12.632 -7.874 13.956 1.00 10.00 C ATOM 555 O THR A 39 -12.997 -7.307 12.945 1.00 10.00 O ATOM 556 CB THR A 39 -14.076 -6.586 15.562 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.073 -5.864 16.787 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.108 -7.711 15.632 1.00 50.00 C ATOM 0 H THR A 39 -12.174 -5.122 15.059 1.00 10.00 H new ATOM 0 HA THR A 39 -12.426 -7.926 16.069 1.00 10.00 H new ATOM 0 HB THR A 39 -14.333 -5.913 14.744 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.962 -5.482 16.944 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.097 -7.287 15.805 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.109 -8.263 14.692 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.855 -8.387 16.449 1.00 50.00 H new ATOM 566 N MET A 40 -12.176 -9.096 13.919 1.00 10.00 N ATOM 567 CA MET A 40 -12.099 -9.822 12.619 1.00 10.00 C ATOM 568 C MET A 40 -13.455 -10.442 12.274 1.00 10.00 C ATOM 569 O MET A 40 -14.249 -10.748 13.142 1.00 10.00 O ATOM 570 CB MET A 40 -11.054 -10.919 12.832 1.00 10.00 C ATOM 571 CG MET A 40 -10.138 -10.993 11.609 1.00 10.00 C ATOM 572 SD MET A 40 -10.946 -11.961 10.310 1.00 12.50 S ATOM 573 CE MET A 40 -9.781 -13.345 10.300 1.00 50.00 C ATOM 0 H MET A 40 -11.854 -9.623 14.731 1.00 10.00 H new ATOM 0 HA MET A 40 -11.833 -9.158 11.797 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.468 -10.709 13.727 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.546 -11.879 12.991 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.917 -9.990 11.246 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.187 -11.451 11.881 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.492 -13.570 9.273 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.895 -13.079 10.877 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.253 -14.221 10.744 1.00 50.00 H new ATOM 583 N GLU A 41 -13.723 -10.631 11.012 1.00 10.00 N ATOM 584 CA GLU A 41 -15.024 -11.234 10.605 1.00 10.00 C ATOM 585 C GLU A 41 -14.800 -12.219 9.455 1.00 10.00 C ATOM 586 O GLU A 41 -14.336 -11.851 8.394 1.00 10.00 O ATOM 587 CB GLU A 41 -15.882 -10.055 10.146 1.00 10.00 C ATOM 588 CG GLU A 41 -17.350 -10.481 10.094 1.00 10.00 C ATOM 589 CD GLU A 41 -17.722 -10.855 8.658 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.390 -11.956 8.249 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.329 -10.035 7.991 1.00 12.50 O ATOM 0 H GLU A 41 -13.096 -10.394 10.243 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.500 -11.787 11.414 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.760 -9.215 10.830 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -15.556 -9.715 9.163 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.517 -11.330 10.757 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.988 -9.670 10.447 1.00 10.00 H new ATOM 598 N VAL A 42 -15.118 -13.468 9.656 1.00 10.00 N ATOM 599 CA VAL A 42 -14.910 -14.466 8.565 1.00 10.00 C ATOM 600 C VAL A 42 -16.129 -15.382 8.437 1.00 10.00 C ATOM 601 O VAL A 42 -16.804 -15.674 9.404 1.00 10.00 O ATOM 602 CB VAL A 42 -13.675 -15.267 8.990 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.597 -14.311 9.508 1.00 10.00 C ATOM 604 CG2 VAL A 42 -14.055 -16.251 10.099 1.00 10.00 C ATOM 0 H VAL A 42 -15.510 -13.840 10.521 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.774 -13.990 7.594 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.292 -15.818 8.131 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.719 -14.882 9.810 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -12.321 -13.612 8.719 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.982 -13.758 10.365 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -13.174 -16.819 10.399 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.441 -15.701 10.957 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -14.820 -16.935 9.732 1.00 10.00 H new ATOM 614 N ALA A 43 -16.413 -15.843 7.249 1.00 10.00 N ATOM 615 CA ALA A 43 -17.583 -16.746 7.061 1.00 10.00 C ATOM 616 C ALA A 43 -17.213 -18.172 7.477 1.00 10.00 C ATOM 617 O ALA A 43 -16.088 -18.602 7.317 1.00 10.00 O ATOM 618 CB ALA A 43 -17.896 -16.687 5.567 1.00 50.00 C ATOM 0 H ALA A 43 -15.886 -15.633 6.402 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.439 -16.447 7.665 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.749 -17.329 5.348 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.132 -15.661 5.285 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -17.030 -17.029 5.000 1.00 50.00 H new ATOM 624 N GLU A 44 -18.147 -18.908 8.010 1.00 10.00 N ATOM 625 CA GLU A 44 -17.843 -20.305 8.435 1.00 10.00 C ATOM 626 C GLU A 44 -17.144 -21.061 7.304 1.00 10.00 C ATOM 627 O GLU A 44 -17.706 -21.286 6.250 1.00 10.00 O ATOM 628 CB GLU A 44 -19.204 -20.930 8.744 1.00 10.00 C ATOM 629 CG GLU A 44 -19.199 -21.490 10.168 1.00 10.00 C ATOM 630 CD GLU A 44 -19.640 -20.400 11.147 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.447 -19.571 10.757 1.00 25.00 O ATOM 632 OE2 GLU A 44 -19.166 -20.413 12.271 1.00 25.00 O ATOM 0 H GLU A 44 -19.107 -18.604 8.170 1.00 10.00 H new ATOM 0 HA GLU A 44 -17.176 -20.340 9.296 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.991 -20.183 8.639 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.421 -21.725 8.030 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -19.869 -22.347 10.235 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.201 -21.844 10.427 1.00 10.00 H new ATOM 639 N GLY A 45 -15.916 -21.450 7.514 1.00 10.00 N ATOM 640 CA GLY A 45 -15.174 -22.187 6.455 1.00 10.00 C ATOM 641 C GLY A 45 -14.102 -21.271 5.863 1.00 10.00 C ATOM 642 O GLY A 45 -13.537 -21.549 4.825 1.00 10.00 O ATOM 0 H GLY A 45 -15.395 -21.288 8.376 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.714 -23.083 6.873 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.860 -22.515 5.675 1.00 10.00 H new ATOM 646 N GLU A 46 -13.822 -20.176 6.516 1.00 10.00 N ATOM 647 CA GLU A 46 -12.788 -19.239 5.989 1.00 10.00 C ATOM 648 C GLU A 46 -11.612 -19.134 6.962 1.00 10.00 C ATOM 649 O GLU A 46 -11.736 -18.598 8.045 1.00 10.00 O ATOM 650 CB GLU A 46 -13.502 -17.892 5.866 1.00 10.00 C ATOM 651 CG GLU A 46 -12.778 -17.023 4.837 1.00 10.00 C ATOM 652 CD GLU A 46 -13.644 -16.891 3.582 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.432 -17.789 3.333 1.00 10.00 O ATOM 654 OE2 GLU A 46 -13.506 -15.895 2.893 1.00 10.00 O ATOM 0 H GLU A 46 -14.263 -19.890 7.390 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.378 -19.575 5.037 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.538 -18.044 5.565 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.522 -17.389 6.833 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -12.574 -16.038 5.256 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -11.816 -17.467 4.583 1.00 10.00 H new ATOM 661 N TYR A 47 -10.468 -19.636 6.583 1.00 10.00 N ATOM 662 CA TYR A 47 -9.284 -19.558 7.486 1.00 10.00 C ATOM 663 C TYR A 47 -9.090 -18.115 7.961 1.00 10.00 C ATOM 664 O TYR A 47 -9.115 -17.184 7.180 1.00 10.00 O ATOM 665 CB TYR A 47 -8.102 -20.013 6.628 1.00 10.00 C ATOM 666 CG TYR A 47 -8.283 -21.465 6.255 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.472 -22.427 7.255 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.261 -21.851 4.909 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.641 -23.774 6.909 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.430 -23.197 4.563 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.620 -24.158 5.563 1.00 10.00 C ATOM 672 OH TYR A 47 -8.786 -25.484 5.221 1.00 10.00 O ATOM 0 H TYR A 47 -10.302 -20.096 5.688 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.394 -20.175 8.378 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.034 -19.401 5.729 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.169 -19.880 7.175 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.487 -22.130 8.293 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.114 -21.110 4.137 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.787 -24.516 7.680 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.414 -23.494 3.525 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.746 -25.578 4.246 1.00 10.00 H new ATOM 682 N ILE A 48 -8.903 -17.919 9.239 1.00 10.00 N ATOM 683 CA ILE A 48 -8.718 -16.535 9.763 1.00 10.00 C ATOM 684 C ILE A 48 -7.623 -15.803 8.982 1.00 10.00 C ATOM 685 O ILE A 48 -7.861 -14.780 8.371 1.00 10.00 O ATOM 686 CB ILE A 48 -8.304 -16.715 11.225 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.406 -17.468 11.978 1.00 10.00 C ATOM 688 CG2 ILE A 48 -8.089 -15.340 11.863 1.00 10.00 C ATOM 689 CD1 ILE A 48 -9.200 -17.313 13.489 1.00 10.00 C ATOM 0 H ILE A 48 -8.870 -18.657 9.942 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.624 -15.938 9.664 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.378 -17.287 11.277 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -10.384 -17.080 11.693 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.390 -18.523 11.706 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.794 -15.464 12.905 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.305 -14.808 11.325 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -9.015 -14.767 11.814 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.986 -17.850 14.020 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.229 -17.722 13.768 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -9.239 -16.257 13.755 1.00 10.00 H new ATOM 701 N LEU A 49 -6.423 -16.314 9.001 1.00 10.00 N ATOM 702 CA LEU A 49 -5.313 -15.643 8.265 1.00 10.00 C ATOM 703 C LEU A 49 -5.767 -15.233 6.860 1.00 10.00 C ATOM 704 O LEU A 49 -5.357 -14.215 6.339 1.00 10.00 O ATOM 705 CB LEU A 49 -4.204 -16.691 8.182 1.00 10.00 C ATOM 706 CG LEU A 49 -2.844 -15.998 8.255 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.827 -16.939 8.906 1.00 10.00 C ATOM 708 CD2 LEU A 49 -2.376 -15.639 6.843 1.00 10.00 C ATOM 0 H LEU A 49 -6.162 -17.168 9.495 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.983 -14.733 8.766 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -4.304 -17.407 8.998 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.289 -17.253 7.252 1.00 10.00 H new ATOM 0 HG LEU A 49 -2.931 -15.089 8.850 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.856 -16.446 8.959 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -2.159 -17.194 9.912 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.740 -17.848 8.311 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -1.406 -15.145 6.896 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -2.288 -16.547 6.247 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -3.100 -14.969 6.379 1.00 10.00 H new ATOM 720 N GLU A 50 -6.604 -16.018 6.241 1.00 10.00 N ATOM 721 CA GLU A 50 -7.073 -15.670 4.869 1.00 10.00 C ATOM 722 C GLU A 50 -8.130 -14.562 4.927 1.00 10.00 C ATOM 723 O GLU A 50 -8.068 -13.593 4.195 1.00 10.00 O ATOM 724 CB GLU A 50 -7.678 -16.963 4.321 1.00 10.00 C ATOM 725 CG GLU A 50 -6.615 -17.728 3.530 1.00 10.00 C ATOM 726 CD GLU A 50 -7.262 -18.387 2.310 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.239 -19.093 2.491 1.00 50.00 O ATOM 728 OE2 GLU A 50 -6.767 -18.175 1.215 1.00 50.00 O ATOM 0 H GLU A 50 -6.983 -16.884 6.624 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.265 -15.297 4.240 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -8.050 -17.579 5.140 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.530 -16.736 3.680 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -5.824 -17.049 3.213 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.151 -18.485 4.162 1.00 10.00 H new ATOM 735 N ALA A 51 -9.102 -14.701 5.786 1.00 10.00 N ATOM 736 CA ALA A 51 -10.166 -13.658 5.883 1.00 10.00 C ATOM 737 C ALA A 51 -9.572 -12.314 6.308 1.00 10.00 C ATOM 738 O ALA A 51 -9.926 -11.275 5.788 1.00 10.00 O ATOM 739 CB ALA A 51 -11.129 -14.177 6.950 1.00 12.50 C ATOM 0 H ALA A 51 -9.207 -15.490 6.424 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.660 -13.490 4.926 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.944 -13.465 7.082 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.535 -15.139 6.637 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.596 -14.298 7.893 1.00 12.50 H new ATOM 745 N ALA A 52 -8.680 -12.329 7.253 1.00 10.00 N ATOM 746 CA ALA A 52 -8.066 -11.052 7.724 1.00 10.00 C ATOM 747 C ALA A 52 -7.011 -10.562 6.730 1.00 10.00 C ATOM 748 O ALA A 52 -6.772 -9.378 6.600 1.00 10.00 O ATOM 749 CB ALA A 52 -7.419 -11.395 9.066 1.00 10.00 C ATOM 0 H ALA A 52 -8.346 -13.170 7.724 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.803 -10.254 7.816 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.944 -10.505 9.479 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.182 -11.753 9.757 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.669 -12.172 8.920 1.00 10.00 H new ATOM 755 N GLU A 53 -6.377 -11.460 6.032 1.00 10.00 N ATOM 756 CA GLU A 53 -5.335 -11.039 5.051 1.00 10.00 C ATOM 757 C GLU A 53 -5.970 -10.239 3.912 1.00 10.00 C ATOM 758 O GLU A 53 -5.384 -9.315 3.384 1.00 10.00 O ATOM 759 CB GLU A 53 -4.736 -12.341 4.523 1.00 10.00 C ATOM 760 CG GLU A 53 -3.826 -12.036 3.331 1.00 10.00 C ATOM 761 CD GLU A 53 -2.410 -12.534 3.629 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.194 -13.731 3.539 1.00 10.00 O ATOM 763 OE2 GLU A 53 -1.568 -11.710 3.943 1.00 10.00 O ATOM 0 H GLU A 53 -6.533 -12.466 6.096 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.579 -10.398 5.504 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.169 -12.838 5.310 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.531 -13.024 4.223 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.211 -12.519 2.433 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.812 -10.964 3.135 1.00 10.00 H new ATOM 770 N ALA A 54 -7.165 -10.591 3.529 1.00 10.00 N ATOM 771 CA ALA A 54 -7.842 -9.856 2.421 1.00 10.00 C ATOM 772 C ALA A 54 -8.225 -8.443 2.871 1.00 10.00 C ATOM 773 O ALA A 54 -8.520 -7.584 2.064 1.00 10.00 O ATOM 774 CB ALA A 54 -9.094 -10.677 2.110 1.00 50.00 C ATOM 0 H ALA A 54 -7.704 -11.356 3.935 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.198 -9.744 1.549 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.650 -10.201 1.302 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -8.803 -11.683 1.807 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.722 -10.733 2.999 1.00 50.00 H new ATOM 780 N GLN A 55 -8.227 -8.193 4.152 1.00 10.00 N ATOM 781 CA GLN A 55 -8.594 -6.835 4.644 1.00 10.00 C ATOM 782 C GLN A 55 -7.338 -5.977 4.817 1.00 10.00 C ATOM 783 O GLN A 55 -7.395 -4.763 4.795 1.00 10.00 O ATOM 784 CB GLN A 55 -9.274 -7.070 5.992 1.00 10.00 C ATOM 785 CG GLN A 55 -10.529 -7.920 5.788 1.00 10.00 C ATOM 786 CD GLN A 55 -11.635 -7.431 6.726 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.366 -6.764 7.705 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.876 -7.737 6.466 1.00 10.00 N ATOM 0 H GLN A 55 -7.991 -8.869 4.878 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.245 -6.307 3.948 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.589 -7.572 6.675 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.538 -6.117 6.450 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.861 -7.854 4.752 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.307 -8.969 5.986 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -13.102 -8.297 5.644 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.621 -7.416 7.085 1.00 10.00 H new ATOM 797 N GLY A 56 -6.203 -6.597 4.986 1.00 10.00 N ATOM 798 CA GLY A 56 -4.946 -5.816 5.158 1.00 10.00 C ATOM 799 C GLY A 56 -4.161 -6.362 6.352 1.00 10.00 C ATOM 800 O GLY A 56 -3.019 -6.008 6.571 1.00 10.00 O ATOM 0 H GLY A 56 -6.092 -7.611 5.012 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.341 -5.878 4.253 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.179 -4.763 5.314 1.00 10.00 H new ATOM 804 N TYR A 57 -4.763 -7.223 7.127 1.00 10.00 N ATOM 805 CA TYR A 57 -4.049 -7.790 8.307 1.00 10.00 C ATOM 806 C TYR A 57 -2.947 -8.751 7.849 1.00 10.00 C ATOM 807 O TYR A 57 -3.085 -9.442 6.859 1.00 10.00 O ATOM 808 CB TYR A 57 -5.124 -8.538 9.098 1.00 10.00 C ATOM 809 CG TYR A 57 -6.245 -7.587 9.449 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.992 -6.216 9.579 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.541 -8.079 9.643 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.034 -5.339 9.903 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.582 -7.203 9.966 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.330 -5.833 10.096 1.00 12.50 C ATOM 815 OH TYR A 57 -9.358 -4.968 10.415 1.00 12.50 O ATOM 0 H TYR A 57 -5.717 -7.558 6.994 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.565 -7.020 8.907 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.510 -9.371 8.510 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.694 -8.961 10.006 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.993 -5.835 9.429 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.737 -9.136 9.543 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.838 -4.282 10.004 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.581 -7.584 10.115 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.305 -4.733 11.365 1.00 12.50 H new ATOM 825 N ASP A 58 -1.854 -8.798 8.560 1.00 10.00 N ATOM 826 CA ASP A 58 -0.743 -9.712 8.164 1.00 10.00 C ATOM 827 C ASP A 58 -0.485 -10.743 9.266 1.00 10.00 C ATOM 828 O ASP A 58 -0.536 -10.438 10.441 1.00 10.00 O ATOM 829 CB ASP A 58 0.472 -8.802 7.988 1.00 10.00 C ATOM 830 CG ASP A 58 0.878 -8.224 9.345 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.363 -8.983 10.169 1.00 10.00 O ATOM 832 OD2 ASP A 58 0.700 -7.033 9.537 1.00 10.00 O ATOM 0 H ASP A 58 -1.681 -8.243 9.398 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.972 -10.270 7.256 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.301 -9.364 7.557 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.238 -7.996 7.293 1.00 10.00 H new ATOM 837 N TRP A 59 -0.209 -11.964 8.894 1.00 10.00 N ATOM 838 CA TRP A 59 0.053 -13.015 9.918 1.00 10.00 C ATOM 839 C TRP A 59 1.295 -13.822 9.536 1.00 10.00 C ATOM 840 O TRP A 59 1.583 -14.004 8.370 1.00 10.00 O ATOM 841 CB TRP A 59 -1.184 -13.913 9.896 1.00 10.00 C ATOM 842 CG TRP A 59 -2.420 -13.074 9.981 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.854 -12.234 9.015 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.388 -12.986 11.066 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.021 -11.627 9.442 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.392 -12.058 10.699 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.491 -13.611 12.322 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.459 -11.762 11.548 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.565 -13.315 13.178 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.545 -12.391 12.791 1.00 50.00 C ATOM 0 H TRP A 59 -0.154 -12.279 7.925 1.00 10.00 H new ATOM 0 HA TRP A 59 0.233 -12.589 10.905 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.198 -14.506 8.982 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.151 -14.614 10.730 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.369 -12.065 8.065 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.544 -10.944 8.894 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.740 -14.323 12.630 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.213 -11.051 11.245 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.636 -13.802 14.139 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.367 -12.166 13.455 1.00 50.00 H new ATOM 861 N PRO A 60 1.986 -14.288 10.537 1.00 10.00 N ATOM 862 CA PRO A 60 3.207 -15.094 10.306 1.00 10.00 C ATOM 863 C PRO A 60 2.822 -16.487 9.801 1.00 10.00 C ATOM 864 O PRO A 60 1.947 -17.131 10.343 1.00 10.00 O ATOM 865 CB PRO A 60 3.852 -15.172 11.686 1.00 10.00 C ATOM 866 CG PRO A 60 2.725 -14.979 12.650 1.00 10.00 C ATOM 867 CD PRO A 60 1.702 -14.109 11.965 1.00 10.00 C ATOM 0 HA PRO A 60 3.875 -14.667 9.558 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.342 -16.133 11.839 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.614 -14.402 11.810 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.289 -15.938 12.931 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.079 -14.509 13.567 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.686 -14.417 12.212 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.800 -13.065 12.264 1.00 10.00 H new ATOM 875 N PHE A 61 3.461 -16.957 8.768 1.00 10.00 N ATOM 876 CA PHE A 61 3.120 -18.307 8.239 1.00 10.00 C ATOM 877 C PHE A 61 4.248 -18.824 7.344 1.00 10.00 C ATOM 878 O PHE A 61 4.988 -18.061 6.757 1.00 10.00 O ATOM 879 CB PHE A 61 1.831 -18.111 7.437 1.00 10.00 C ATOM 880 CG PHE A 61 2.145 -17.434 6.123 1.00 10.00 C ATOM 881 CD1 PHE A 61 2.711 -18.170 5.075 1.00 10.00 C ATOM 882 CD2 PHE A 61 1.868 -16.072 5.953 1.00 10.00 C ATOM 883 CE1 PHE A 61 2.999 -17.544 3.857 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.156 -15.447 4.733 1.00 10.00 C ATOM 885 CZ PHE A 61 2.722 -16.183 3.686 1.00 10.00 C ATOM 0 H PHE A 61 4.203 -16.467 8.268 1.00 10.00 H new ATOM 0 HA PHE A 61 2.989 -19.041 9.034 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.354 -19.074 7.256 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.125 -17.508 8.008 1.00 10.00 H new ATOM 0 HD1 PHE A 61 2.925 -19.220 5.207 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.433 -15.504 6.762 1.00 10.00 H new ATOM 0 HE1 PHE A 61 3.435 -18.112 3.048 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.941 -14.397 4.600 1.00 10.00 H new ATOM 0 HZ PHE A 61 2.945 -15.701 2.746 1.00 10.00 H new ATOM 895 N SER A 62 4.386 -20.116 7.241 1.00 10.00 N ATOM 896 CA SER A 62 5.468 -20.684 6.391 1.00 10.00 C ATOM 897 C SER A 62 4.989 -21.965 5.708 1.00 10.00 C ATOM 898 O SER A 62 4.997 -22.080 4.499 1.00 10.00 O ATOM 899 CB SER A 62 6.610 -20.995 7.361 1.00 10.00 C ATOM 900 OG SER A 62 7.461 -19.863 7.468 1.00 10.00 O ATOM 0 H SER A 62 3.796 -20.804 7.709 1.00 10.00 H new ATOM 0 HA SER A 62 5.774 -19.997 5.602 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.209 -21.256 8.340 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.176 -21.857 7.009 1.00 10.00 H new ATOM 0 HG SER A 62 6.944 -19.048 7.300 1.00 10.00 H new ATOM 906 N CYS A 63 4.588 -22.936 6.480 1.00 10.00 N ATOM 907 CA CYS A 63 4.127 -24.221 5.889 1.00 10.00 C ATOM 908 C CYS A 63 2.739 -24.062 5.228 1.00 10.00 C ATOM 909 O CYS A 63 2.487 -24.601 4.169 1.00 10.00 O ATOM 910 CB CYS A 63 4.116 -25.197 7.078 1.00 10.00 C ATOM 911 SG CYS A 63 2.509 -25.195 7.912 1.00 10.00 S ATOM 0 H CYS A 63 4.560 -22.894 7.499 1.00 10.00 H new ATOM 0 HA CYS A 63 4.771 -24.580 5.086 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.346 -26.203 6.728 1.00 10.00 H new ATOM 0 HB3 CYS A 63 4.897 -24.920 7.786 1.00 10.00 H new ATOM 916 N ARG A 64 1.851 -23.316 5.832 1.00 10.00 N ATOM 917 CA ARG A 64 0.492 -23.105 5.225 1.00 10.00 C ATOM 918 C ARG A 64 -0.241 -24.438 4.988 1.00 10.00 C ATOM 919 O ARG A 64 -1.034 -24.565 4.077 1.00 10.00 O ATOM 920 CB ARG A 64 0.762 -22.400 3.893 1.00 10.00 C ATOM 921 CG ARG A 64 1.294 -20.989 4.157 1.00 10.00 C ATOM 922 CD ARG A 64 1.295 -20.192 2.849 1.00 10.00 C ATOM 923 NE ARG A 64 0.177 -19.217 2.995 1.00 10.00 N ATOM 924 CZ ARG A 64 -0.036 -18.323 2.067 1.00 10.00 C ATOM 925 NH1 ARG A 64 -0.201 -18.695 0.827 1.00 10.00 N ATOM 926 NH2 ARG A 64 -0.084 -17.057 2.379 1.00 10.00 N ATOM 0 H ARG A 64 2.004 -22.841 6.721 1.00 10.00 H new ATOM 0 HA ARG A 64 -0.152 -22.524 5.885 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.485 -22.969 3.309 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -0.154 -22.350 3.304 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.674 -20.488 4.900 1.00 10.00 H new ATOM 0 HG3 ARG A 64 2.303 -21.040 4.566 1.00 10.00 H new ATOM 0 HD2 ARG A 64 2.247 -19.683 2.697 1.00 10.00 H new ATOM 0 HD3 ARG A 64 1.142 -20.844 1.989 1.00 10.00 H new ATOM 0 HE ARG A 64 -0.422 -19.248 3.820 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -0.164 -19.684 0.582 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -0.367 -17.996 0.103 1.00 10.00 H new ATOM 0 HH21 ARG A 64 0.045 -16.765 3.348 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -0.250 -16.359 1.654 1.00 10.00 H new ATOM 940 N ALA A 65 0.012 -25.422 5.801 1.00 10.00 N ATOM 941 CA ALA A 65 -0.671 -26.737 5.640 1.00 10.00 C ATOM 942 C ALA A 65 -1.080 -27.300 7.010 1.00 10.00 C ATOM 943 O ALA A 65 -1.610 -28.389 7.107 1.00 10.00 O ATOM 944 CB ALA A 65 0.366 -27.642 4.973 1.00 10.00 C ATOM 0 H ALA A 65 0.670 -25.373 6.579 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.583 -26.657 5.049 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -0.061 -28.633 4.819 1.00 10.00 H new ATOM 0 HB2 ALA A 65 0.654 -27.218 4.011 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.245 -27.721 5.613 1.00 10.00 H new ATOM 950 N GLY A 66 -0.841 -26.569 8.072 1.00 10.00 N ATOM 951 CA GLY A 66 -1.222 -27.074 9.426 1.00 10.00 C ATOM 952 C GLY A 66 -0.150 -28.040 9.943 1.00 10.00 C ATOM 953 O GLY A 66 -0.454 -29.042 10.559 1.00 10.00 O ATOM 0 H GLY A 66 -0.401 -25.649 8.059 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.335 -26.238 10.117 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.186 -27.580 9.377 1.00 10.00 H new ATOM 957 N ALA A 67 1.100 -27.758 9.688 1.00 10.00 N ATOM 958 CA ALA A 67 2.180 -28.676 10.159 1.00 10.00 C ATOM 959 C ALA A 67 3.290 -27.912 10.898 1.00 10.00 C ATOM 960 O ALA A 67 4.348 -28.450 11.154 1.00 10.00 O ATOM 961 CB ALA A 67 2.734 -29.314 8.885 1.00 10.00 C ATOM 0 H ALA A 67 1.420 -26.936 9.176 1.00 10.00 H new ATOM 0 HA ALA A 67 1.797 -29.412 10.866 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.536 -30.006 9.143 1.00 10.00 H new ATOM 0 HB2 ALA A 67 1.938 -29.856 8.374 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.123 -28.536 8.228 1.00 10.00 H new ATOM 967 N CYS A 68 3.068 -26.674 11.254 1.00 10.00 N ATOM 968 CA CYS A 68 4.133 -25.918 11.985 1.00 10.00 C ATOM 969 C CYS A 68 3.500 -24.910 12.958 1.00 10.00 C ATOM 970 O CYS A 68 2.294 -24.809 13.060 1.00 10.00 O ATOM 971 CB CYS A 68 4.973 -25.236 10.888 1.00 10.00 C ATOM 972 SG CYS A 68 4.363 -23.566 10.532 1.00 10.00 S ATOM 0 H CYS A 68 2.207 -26.157 11.074 1.00 10.00 H new ATOM 0 HA CYS A 68 4.761 -26.562 12.601 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.015 -25.185 11.204 1.00 10.00 H new ATOM 0 HB3 CYS A 68 4.945 -25.837 9.979 1.00 10.00 H new ATOM 977 N ALA A 69 4.302 -24.176 13.687 1.00 10.00 N ATOM 978 CA ALA A 69 3.729 -23.197 14.661 1.00 10.00 C ATOM 979 C ALA A 69 4.183 -21.766 14.347 1.00 10.00 C ATOM 980 O ALA A 69 3.992 -20.861 15.134 1.00 10.00 O ATOM 981 CB ALA A 69 4.268 -23.639 16.021 1.00 25.00 C ATOM 0 H ALA A 69 5.321 -24.211 13.651 1.00 10.00 H new ATOM 0 HA ALA A 69 2.640 -23.185 14.625 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.893 -22.970 16.796 1.00 25.00 H new ATOM 0 HB2 ALA A 69 3.938 -24.657 16.230 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.357 -23.606 16.009 1.00 25.00 H new ATOM 987 N ASN A 70 4.778 -21.549 13.207 1.00 10.00 N ATOM 988 CA ASN A 70 5.234 -20.172 12.856 1.00 10.00 C ATOM 989 C ASN A 70 4.049 -19.202 12.888 1.00 10.00 C ATOM 990 O ASN A 70 4.183 -18.052 13.254 1.00 10.00 O ATOM 991 CB ASN A 70 5.788 -20.288 11.436 1.00 50.00 C ATOM 992 CG ASN A 70 6.906 -21.332 11.408 1.00 50.00 C ATOM 993 OD1 ASN A 70 6.661 -22.505 11.606 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.132 -20.953 11.169 1.00 50.00 N ATOM 0 H ASN A 70 4.969 -22.263 12.504 1.00 10.00 H new ATOM 0 HA ASN A 70 5.979 -19.792 13.555 1.00 10.00 H new ATOM 0 HB2 ASN A 70 4.993 -20.572 10.746 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.169 -19.323 11.103 1.00 50.00 H new ATOM 0 HD21 ASN A 70 8.884 -21.642 11.149 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.338 -19.968 11.003 1.00 50.00 H new ATOM 1001 N CYS A 71 2.889 -19.661 12.507 1.00 10.00 N ATOM 1002 CA CYS A 71 1.692 -18.773 12.514 1.00 10.00 C ATOM 1003 C CYS A 71 0.950 -18.906 13.849 1.00 10.00 C ATOM 1004 O CYS A 71 -0.176 -18.474 13.996 1.00 10.00 O ATOM 1005 CB CYS A 71 0.827 -19.282 11.355 1.00 10.00 C ATOM 1006 SG CYS A 71 0.066 -20.859 11.818 1.00 10.00 S ATOM 0 H CYS A 71 2.718 -20.615 12.190 1.00 10.00 H new ATOM 0 HA CYS A 71 1.947 -17.719 12.400 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.056 -18.550 11.114 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.437 -19.409 10.460 1.00 10.00 H new ATOM 1011 N ALA A 72 1.578 -19.512 14.818 1.00 10.00 N ATOM 1012 CA ALA A 72 0.925 -19.698 16.147 1.00 10.00 C ATOM 1013 C ALA A 72 0.220 -18.415 16.609 1.00 10.00 C ATOM 1014 O ALA A 72 0.629 -17.313 16.292 1.00 10.00 O ATOM 1015 CB ALA A 72 2.071 -20.046 17.096 1.00 10.00 C ATOM 0 H ALA A 72 2.523 -19.890 14.747 1.00 10.00 H new ATOM 0 HA ALA A 72 0.157 -20.471 16.114 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.677 -20.200 18.101 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.562 -20.958 16.755 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.792 -19.229 17.110 1.00 10.00 H new ATOM 1021 N SER A 73 -0.834 -18.565 17.366 1.00 10.00 N ATOM 1022 CA SER A 73 -1.585 -17.379 17.875 1.00 10.00 C ATOM 1023 C SER A 73 -1.879 -17.561 19.365 1.00 10.00 C ATOM 1024 O SER A 73 -1.297 -18.399 20.021 1.00 10.00 O ATOM 1025 CB SER A 73 -2.885 -17.357 17.070 1.00 50.00 C ATOM 1026 OG SER A 73 -2.873 -16.249 16.182 1.00 50.00 O ATOM 0 H SER A 73 -1.211 -19.467 17.657 1.00 10.00 H new ATOM 0 HA SER A 73 -1.027 -16.449 17.764 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.994 -18.285 16.509 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.740 -17.289 17.742 1.00 50.00 H new ATOM 0 HG SER A 73 -2.890 -15.416 16.698 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.778 -16.787 19.902 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.109 -16.926 21.349 1.00 10.00 C ATOM 1034 C ILE A 74 -4.572 -16.544 21.592 1.00 10.00 C ATOM 1035 O ILE A 74 -4.872 -15.478 22.090 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.170 -15.958 22.070 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.736 -16.491 22.003 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.598 -15.829 23.533 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.655 -17.828 22.743 1.00 10.00 C ATOM 0 H ILE A 74 -3.298 -16.065 19.404 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.984 -17.948 21.706 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.216 -14.981 21.589 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.432 -16.619 20.964 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.048 -15.773 22.450 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -1.929 -15.139 24.048 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.619 -15.449 23.581 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.551 -16.806 24.013 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.365 -18.209 22.696 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.941 -17.685 23.785 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.331 -18.544 22.276 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.483 -17.409 21.238 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.927 -17.102 21.441 1.00 10.00 C ATOM 1053 C VAL A 75 -7.166 -16.594 22.868 1.00 10.00 C ATOM 1054 O VAL A 75 -6.727 -17.188 23.832 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.655 -18.433 21.161 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -8.417 -18.931 22.398 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.646 -18.216 20.021 1.00 50.00 C ATOM 0 H VAL A 75 -5.289 -18.317 20.816 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.292 -16.312 20.785 1.00 10.00 H new ATOM 0 HB VAL A 75 -6.911 -19.185 20.896 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -8.917 -19.870 22.163 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -7.716 -19.088 23.218 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -9.159 -18.188 22.692 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.169 -19.149 19.811 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.368 -17.452 20.307 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -8.109 -17.892 19.129 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.866 -15.502 23.007 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.139 -14.966 24.366 1.00 10.00 C ATOM 1069 C LYS A 76 -9.586 -15.268 24.764 1.00 10.00 C ATOM 1070 O LYS A 76 -10.013 -14.979 25.865 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.906 -13.458 24.256 1.00 25.00 C ATOM 1072 CG LYS A 76 -6.470 -13.199 23.794 1.00 25.00 C ATOM 1073 CD LYS A 76 -5.800 -12.203 24.744 1.00 50.00 C ATOM 1074 CE LYS A 76 -4.762 -12.934 25.600 1.00 50.00 C ATOM 1075 NZ LYS A 76 -5.562 -13.740 26.565 1.00 50.00 N ATOM 0 H LYS A 76 -8.259 -14.960 22.238 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.501 -15.414 25.127 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.612 -13.020 23.550 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.082 -12.980 25.220 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -5.909 -14.133 23.775 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.469 -12.805 22.778 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -5.322 -11.406 24.174 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -6.548 -11.733 25.383 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -4.122 -13.570 24.988 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -4.110 -12.230 26.118 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -4.921 -14.271 27.188 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -6.156 -13.107 27.138 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -6.168 -14.405 26.043 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.343 -15.854 23.875 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.763 -16.181 24.200 1.00 10.00 C ATOM 1091 C GLU A 77 -12.457 -16.783 22.975 1.00 10.00 C ATOM 1092 O GLU A 77 -12.101 -16.501 21.848 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.407 -14.845 24.578 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.130 -14.990 25.920 1.00 10.00 C ATOM 1095 CD GLU A 77 -13.889 -13.699 26.233 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -14.772 -13.351 25.467 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -13.575 -13.079 27.237 1.00 25.00 O ATOM 0 H GLU A 77 -10.040 -16.120 22.938 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.844 -16.911 25.005 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.646 -14.068 24.645 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.111 -14.536 23.805 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.822 -15.831 25.883 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -12.411 -15.203 26.711 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.441 -17.613 23.186 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.152 -18.232 22.033 1.00 10.00 C ATOM 1106 C GLY A 78 -13.480 -19.558 21.670 1.00 10.00 C ATOM 1107 O GLY A 78 -12.545 -19.987 22.315 1.00 10.00 O ATOM 0 H GLY A 78 -13.783 -17.889 24.106 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.199 -18.400 22.286 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.135 -17.557 21.177 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.953 -20.213 20.645 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.344 -21.513 20.246 1.00 10.00 C ATOM 1113 C GLU A 79 -13.069 -21.529 18.740 1.00 10.00 C ATOM 1114 O GLU A 79 -13.902 -21.144 17.943 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.390 -22.565 20.616 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.946 -23.934 20.097 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.475 -24.795 21.271 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -12.910 -24.238 22.198 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -13.687 -25.995 21.222 1.00 50.00 O ATOM 0 H GLU A 79 -14.735 -19.904 20.067 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.390 -21.695 20.741 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.519 -22.599 21.698 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.356 -22.298 20.188 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.771 -24.424 19.580 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.141 -23.816 19.372 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.908 -21.974 18.344 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.581 -22.016 16.889 1.00 10.00 C ATOM 1128 C ILE A 80 -11.458 -23.467 16.421 1.00 10.00 C ATOM 1129 O ILE A 80 -10.819 -24.284 17.055 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.239 -21.293 16.763 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.460 -19.783 16.881 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.613 -21.613 15.403 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.130 -19.053 16.686 1.00 50.00 C ATOM 0 H ILE A 80 -11.171 -22.310 18.964 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.352 -21.549 16.276 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.571 -21.625 17.558 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -11.181 -19.451 16.134 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.879 -19.542 17.858 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.657 -21.098 15.312 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.456 -22.688 15.319 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.281 -21.281 14.608 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.289 -17.978 16.770 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.422 -19.376 17.450 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.729 -19.284 15.699 1.00 50.00 H new ATOM 1145 N ASP A 81 -12.064 -23.797 15.312 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.981 -25.195 14.804 1.00 10.00 C ATOM 1147 C ASP A 81 -10.691 -25.387 14.001 1.00 10.00 C ATOM 1148 O ASP A 81 -10.246 -24.499 13.302 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.204 -25.364 13.902 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.337 -26.833 13.493 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.129 -27.684 14.342 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.643 -27.080 12.339 1.00 10.00 O ATOM 0 H ASP A 81 -12.613 -23.158 14.737 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.967 -25.928 15.611 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -14.103 -25.038 14.425 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -13.106 -24.736 13.016 1.00 10.00 H new ATOM 1157 N MET A 82 -10.089 -26.542 14.093 1.00 12.50 N ATOM 1158 CA MET A 82 -8.829 -26.788 13.333 1.00 12.50 C ATOM 1159 C MET A 82 -8.823 -28.212 12.768 1.00 12.50 C ATOM 1160 O MET A 82 -9.537 -29.077 13.234 1.00 12.50 O ATOM 1161 CB MET A 82 -7.706 -26.609 14.356 1.00 12.50 C ATOM 1162 CG MET A 82 -7.962 -27.519 15.559 1.00 12.50 C ATOM 1163 SD MET A 82 -6.401 -27.836 16.417 1.00 12.50 S ATOM 1164 CE MET A 82 -7.095 -28.760 17.811 1.00 50.00 C ATOM 0 H MET A 82 -10.414 -27.325 14.660 1.00 12.50 H new ATOM 0 HA MET A 82 -8.718 -26.111 12.486 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.745 -26.850 13.902 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.655 -25.569 14.678 1.00 12.50 H new ATOM 0 HG2 MET A 82 -8.674 -27.050 16.238 1.00 12.50 H new ATOM 0 HG3 MET A 82 -8.406 -28.459 15.230 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.292 -29.062 18.483 1.00 50.00 H new ATOM 0 HE2 MET A 82 -7.802 -28.129 18.350 1.00 50.00 H new ATOM 0 HE3 MET A 82 -7.610 -29.646 17.440 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.025 -28.459 11.766 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.978 -29.827 11.173 1.00 50.00 C ATOM 1176 C ASP A 83 -7.105 -30.747 12.029 1.00 50.00 C ATOM 1177 O ASP A 83 -6.221 -30.302 12.733 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.355 -29.636 9.788 1.00 50.00 C ATOM 1179 CG ASP A 83 -5.930 -29.099 9.939 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -5.599 -28.648 11.023 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.194 -29.147 8.967 1.00 50.00 O ATOM 0 H ASP A 83 -7.405 -27.775 11.332 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.965 -30.287 11.119 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.343 -30.583 9.249 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.956 -28.943 9.200 1.00 50.00 H new ATOM 1186 N MET A 84 -7.343 -32.029 11.972 1.00 50.00 N ATOM 1187 CA MET A 84 -6.523 -32.975 12.781 1.00 50.00 C ATOM 1188 C MET A 84 -5.036 -32.738 12.509 1.00 50.00 C ATOM 1189 O MET A 84 -4.652 -32.342 11.427 1.00 50.00 O ATOM 1190 CB MET A 84 -6.941 -34.368 12.307 1.00 50.00 C ATOM 1191 CG MET A 84 -8.352 -34.677 12.812 1.00 50.00 C ATOM 1192 SD MET A 84 -8.261 -35.322 14.500 1.00 50.00 S ATOM 1193 CE MET A 84 -8.766 -37.019 14.122 1.00 50.00 C ATOM 0 H MET A 84 -8.069 -32.462 11.401 1.00 50.00 H new ATOM 0 HA MET A 84 -6.677 -32.849 13.853 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.914 -34.417 11.218 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.239 -35.115 12.677 1.00 50.00 H new ATOM 0 HG2 MET A 84 -8.964 -33.775 12.788 1.00 50.00 H new ATOM 0 HG3 MET A 84 -8.832 -35.405 12.158 1.00 50.00 H new ATOM 0 HE1 MET A 84 -8.779 -37.608 15.039 1.00 50.00 H new ATOM 0 HE2 MET A 84 -9.763 -37.012 13.681 1.00 50.00 H new ATOM 0 HE3 MET A 84 -8.061 -37.460 13.418 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.195 -32.970 13.479 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.737 -32.747 13.261 1.00 16.66 C ATOM 1205 C GLN A 85 -1.926 -33.299 14.434 1.00 16.66 C ATOM 1206 O GLN A 85 -2.463 -33.854 15.372 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.579 -31.229 13.176 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.321 -30.576 14.345 1.00 16.66 C ATOM 1209 CD GLN A 85 -2.615 -29.276 14.737 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.278 -28.475 13.888 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -2.378 -29.031 15.996 1.00 16.66 N ATOM 0 H GLN A 85 -4.452 -33.303 14.408 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.377 -33.251 12.364 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -1.523 -30.960 13.205 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.976 -30.863 12.229 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.354 -30.371 14.064 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -3.351 -31.257 15.196 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.661 -29.704 16.709 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -1.910 -28.167 16.268 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.632 -33.142 14.388 1.00 16.66 N ATOM 1221 CA GLN A 86 0.228 -33.647 15.495 1.00 16.66 C ATOM 1222 C GLN A 86 1.416 -32.703 15.698 1.00 16.66 C ATOM 1223 O GLN A 86 2.419 -33.066 16.279 1.00 16.66 O ATOM 1224 CB GLN A 86 0.707 -35.023 15.032 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.250 -36.098 15.548 1.00 16.66 C ATOM 1226 CD GLN A 86 0.460 -36.951 16.602 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.375 -36.490 17.256 1.00 50.00 O ATOM 1228 NE2 GLN A 86 0.076 -38.182 16.795 1.00 50.00 N ATOM 0 H GLN A 86 -0.131 -32.683 13.627 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.304 -33.705 16.444 1.00 16.66 H new ATOM 0 HB2 GLN A 86 0.754 -35.056 13.944 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.715 -35.212 15.401 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -1.137 -35.634 15.978 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.587 -36.726 14.723 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -0.692 -38.569 16.246 1.00 50.00 H new ATOM 0 HE22 GLN A 86 0.543 -38.758 17.495 1.00 50.00 H new ATOM 1237 N ILE A 87 1.311 -31.494 15.215 1.00 12.50 N ATOM 1238 CA ILE A 87 2.432 -30.524 15.371 1.00 12.50 C ATOM 1239 C ILE A 87 2.366 -29.845 16.742 1.00 12.50 C ATOM 1240 O ILE A 87 3.363 -29.394 17.270 1.00 12.50 O ATOM 1241 CB ILE A 87 2.223 -29.498 14.255 1.00 50.00 C ATOM 1242 CG1 ILE A 87 3.416 -28.541 14.211 1.00 50.00 C ATOM 1243 CG2 ILE A 87 0.943 -28.705 14.525 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.712 -29.345 14.095 1.00 50.00 C ATOM 0 H ILE A 87 0.495 -31.136 14.718 1.00 12.50 H new ATOM 0 HA ILE A 87 3.406 -31.008 15.307 1.00 12.50 H new ATOM 0 HB ILE A 87 2.136 -30.014 13.299 1.00 50.00 H new ATOM 0 HG12 ILE A 87 3.320 -27.862 13.364 1.00 50.00 H new ATOM 0 HG13 ILE A 87 3.436 -27.927 15.111 1.00 50.00 H new ATOM 0 HG21 ILE A 87 0.793 -27.974 13.730 1.00 50.00 H new ATOM 0 HG22 ILE A 87 0.093 -29.386 14.556 1.00 50.00 H new ATOM 0 HG23 ILE A 87 1.030 -28.189 15.481 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.562 -28.663 14.064 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.809 -30.006 14.957 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.691 -29.940 13.182 1.00 50.00 H new ATOM 1256 N LEU A 88 1.199 -29.766 17.322 1.00 12.50 N ATOM 1257 CA LEU A 88 1.072 -29.114 18.658 1.00 12.50 C ATOM 1258 C LEU A 88 0.409 -30.068 19.654 1.00 12.50 C ATOM 1259 O LEU A 88 0.224 -31.237 19.382 1.00 12.50 O ATOM 1260 CB LEU A 88 0.187 -27.890 18.419 1.00 12.50 C ATOM 1261 CG LEU A 88 1.033 -26.620 18.520 1.00 12.50 C ATOM 1262 CD1 LEU A 88 1.870 -26.462 17.249 1.00 12.50 C ATOM 1263 CD2 LEU A 88 0.112 -25.407 18.677 1.00 12.50 C ATOM 0 H LEU A 88 0.328 -30.124 16.929 1.00 12.50 H new ATOM 0 HA LEU A 88 2.041 -28.842 19.077 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.279 -27.952 17.436 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -0.619 -27.862 19.153 1.00 12.50 H new ATOM 0 HG LEU A 88 1.694 -26.691 19.384 1.00 12.50 H new ATOM 0 HD11 LEU A 88 2.473 -25.557 17.321 1.00 12.50 H new ATOM 0 HD12 LEU A 88 2.525 -27.326 17.135 1.00 12.50 H new ATOM 0 HD13 LEU A 88 1.209 -26.390 16.385 1.00 12.50 H new ATOM 0 HD21 LEU A 88 0.713 -24.501 18.749 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -0.548 -25.337 17.812 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -0.486 -25.519 19.582 1.00 12.50 H new ATOM 1275 N SER A 89 0.047 -29.576 20.807 1.00 12.50 N ATOM 1276 CA SER A 89 -0.606 -30.453 21.821 1.00 12.50 C ATOM 1277 C SER A 89 -1.876 -29.785 22.353 1.00 12.50 C ATOM 1278 O SER A 89 -1.995 -28.576 22.364 1.00 12.50 O ATOM 1279 CB SER A 89 0.429 -30.608 22.936 1.00 12.50 C ATOM 1280 OG SER A 89 0.079 -31.715 23.755 1.00 12.50 O ATOM 0 H SER A 89 0.175 -28.605 21.091 1.00 12.50 H new ATOM 0 HA SER A 89 -0.903 -31.416 21.407 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.421 -30.757 22.509 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.474 -29.698 23.535 1.00 12.50 H new ATOM 0 HG SER A 89 0.743 -31.816 24.469 1.00 12.50 H new ATOM 1286 N ASP A 90 -2.828 -30.563 22.793 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.090 -29.969 23.321 1.00 10.00 C ATOM 1288 C ASP A 90 -3.787 -29.041 24.499 1.00 10.00 C ATOM 1289 O ASP A 90 -4.409 -28.011 24.667 1.00 10.00 O ATOM 1290 CB ASP A 90 -4.929 -31.161 23.780 1.00 10.00 C ATOM 1291 CG ASP A 90 -6.381 -30.964 23.340 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -7.113 -30.305 24.060 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -6.737 -31.475 22.290 1.00 10.00 O ATOM 0 H ASP A 90 -2.787 -31.582 22.810 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.608 -29.371 22.572 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.532 -32.083 23.356 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -4.877 -31.260 24.864 1.00 10.00 H new ATOM 1298 N GLU A 91 -2.835 -29.398 25.312 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.487 -28.536 26.479 1.00 12.50 C ATOM 1300 C GLU A 91 -2.092 -27.141 25.997 1.00 12.50 C ATOM 1301 O GLU A 91 -2.332 -26.153 26.662 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.301 -29.229 27.151 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.605 -30.721 27.316 1.00 12.50 C ATOM 1304 CD GLU A 91 -1.017 -31.217 28.638 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -1.269 -30.584 29.650 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.327 -32.224 28.617 1.00 50.00 O ATOM 0 H GLU A 91 -2.281 -30.250 25.221 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.324 -28.413 27.167 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.401 -29.095 26.551 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -1.106 -28.777 28.124 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.682 -30.888 27.299 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -1.182 -31.284 26.484 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.490 -27.051 24.844 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.087 -25.715 24.322 1.00 10.00 C ATOM 1315 C GLU A 92 -2.333 -24.899 23.972 1.00 10.00 C ATOM 1316 O GLU A 92 -2.379 -23.701 24.169 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.259 -26.009 23.071 1.00 50.00 C ATOM 1318 CG GLU A 92 1.221 -26.088 23.452 1.00 50.00 C ATOM 1319 CD GLU A 92 2.019 -25.083 22.619 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.701 -24.927 21.451 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.934 -24.488 23.163 1.00 50.00 O ATOM 0 H GLU A 92 -1.260 -27.842 24.242 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.520 -25.135 25.050 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.581 -26.948 22.620 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.414 -25.228 22.327 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.346 -25.876 24.514 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.597 -27.097 23.282 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.347 -25.542 23.462 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.596 -24.808 23.108 1.00 10.00 C ATOM 1330 C VAL A 93 -5.435 -24.574 24.367 1.00 10.00 C ATOM 1331 O VAL A 93 -6.199 -23.633 24.452 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.336 -25.727 22.134 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.799 -25.291 22.026 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.678 -25.647 20.755 1.00 10.00 C ATOM 0 H VAL A 93 -3.365 -26.544 23.275 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.394 -23.831 22.668 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.290 -26.752 22.501 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.324 -25.947 21.332 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.270 -25.350 23.007 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.847 -24.265 21.662 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.206 -26.302 20.062 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.722 -24.621 20.390 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.637 -25.961 20.830 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.297 -25.428 25.344 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.086 -25.264 26.598 1.00 12.50 C ATOM 1346 C GLU A 94 -5.390 -24.280 27.543 1.00 12.50 C ATOM 1347 O GLU A 94 -6.031 -23.511 28.233 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.128 -26.659 27.223 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.542 -27.231 27.099 1.00 12.50 C ATOM 1350 CD GLU A 94 -7.588 -28.619 27.742 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -6.941 -29.513 27.221 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -8.270 -28.764 28.743 1.00 12.50 O ATOM 0 H GLU A 94 -4.671 -26.233 25.328 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.083 -24.868 26.406 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.414 -27.314 26.724 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.835 -26.608 28.272 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.258 -26.569 27.586 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.829 -27.295 26.050 1.00 12.50 H new ATOM 1359 N GLU A 95 -4.086 -24.304 27.589 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.360 -23.373 28.502 1.00 12.50 C ATOM 1361 C GLU A 95 -2.663 -22.258 27.715 1.00 12.50 C ATOM 1362 O GLU A 95 -2.646 -21.116 28.128 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.326 -24.249 29.209 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.009 -23.655 30.583 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.586 -24.775 31.537 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.030 -25.894 31.337 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.828 -24.495 32.450 1.00 50.00 O ATOM 0 H GLU A 95 -3.493 -24.924 27.037 1.00 12.50 H new ATOM 0 HA GLU A 95 -4.038 -22.880 29.199 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.708 -25.264 29.319 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.417 -24.313 28.610 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.213 -22.916 30.497 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.883 -23.137 30.978 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.074 -22.577 26.595 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.363 -21.528 25.804 1.00 25.00 C ATOM 1376 C LYS A 96 -2.332 -20.776 24.885 1.00 25.00 C ATOM 1377 O LYS A 96 -2.009 -19.727 24.361 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.331 -22.291 24.976 1.00 25.00 C ATOM 1379 CG LYS A 96 1.069 -21.772 25.304 1.00 25.00 C ATOM 1380 CD LYS A 96 1.409 -22.107 26.758 1.00 25.00 C ATOM 1381 CE LYS A 96 2.473 -23.205 26.794 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.758 -22.500 26.523 1.00 25.00 N ATOM 0 H LYS A 96 -2.053 -23.514 26.193 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.907 -20.778 26.450 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.394 -23.358 25.190 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.537 -22.166 23.913 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.802 -22.223 24.635 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.115 -20.694 25.147 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.772 -21.217 27.272 1.00 25.00 H new ATOM 0 HD3 LYS A 96 0.514 -22.436 27.285 1.00 25.00 H new ATOM 0 HE2 LYS A 96 2.493 -23.705 27.762 1.00 25.00 H new ATOM 0 HE3 LYS A 96 2.276 -23.971 26.044 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.258 -22.977 25.746 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.563 -21.514 26.256 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.350 -22.517 27.378 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.509 -21.299 24.676 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.481 -20.602 23.783 1.00 10.00 C ATOM 1398 C ASP A 97 -3.898 -20.465 22.375 1.00 10.00 C ATOM 1399 O ASP A 97 -4.291 -19.607 21.611 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.678 -19.219 24.406 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.971 -19.206 25.223 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.776 -20.106 25.038 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.136 -18.298 26.020 1.00 50.00 O ATOM 0 H ASP A 97 -3.840 -22.174 25.082 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.420 -21.149 23.694 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.830 -18.972 25.044 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.721 -18.460 23.625 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.957 -21.298 22.030 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.345 -21.206 20.674 1.00 10.00 C ATOM 1410 C VAL A 98 -3.103 -22.088 19.680 1.00 10.00 C ATOM 1411 O VAL A 98 -3.719 -23.070 20.045 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.911 -21.704 20.855 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.929 -23.187 21.232 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.138 -21.517 19.548 1.00 50.00 C ATOM 0 H VAL A 98 -2.585 -22.037 22.626 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.379 -20.192 20.276 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.426 -21.135 21.648 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.093 -23.542 21.361 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.479 -23.319 22.164 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.414 -23.758 20.440 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.885 -21.872 19.676 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.623 -22.085 18.754 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.125 -20.460 19.281 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.062 -21.741 18.423 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.776 -22.551 17.396 1.00 10.00 C ATOM 1426 C ARG A 99 -3.186 -22.269 16.011 1.00 10.00 C ATOM 1427 O ARG A 99 -2.156 -21.639 15.882 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.230 -22.084 17.466 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.097 -23.201 18.053 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.694 -22.739 19.384 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.954 -23.522 19.528 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.923 -23.069 20.278 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.259 -21.810 20.221 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.555 -23.878 21.084 1.00 50.00 N ATOM 0 H ARG A 99 -2.563 -20.928 18.062 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.686 -23.623 17.572 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.306 -21.188 18.082 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.586 -21.818 16.471 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -6.894 -23.462 17.356 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.498 -24.099 18.203 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.012 -22.932 20.212 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.893 -21.667 19.378 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.060 -24.412 19.041 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -8.765 -21.178 19.591 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -10.016 -21.457 20.807 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -9.292 -24.863 21.128 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -10.312 -23.526 21.670 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.831 -22.726 14.973 1.00 10.00 N ATOM 1449 CA LEU A 100 -3.303 -22.479 13.601 1.00 10.00 C ATOM 1450 C LEU A 100 -4.249 -21.547 12.837 1.00 10.00 C ATOM 1451 O LEU A 100 -5.351 -21.917 12.486 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.248 -23.857 12.942 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.166 -24.700 13.620 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -2.806 -25.580 14.697 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.481 -25.587 12.578 1.00 10.00 C ATOM 0 H LEU A 100 -4.700 -23.259 15.015 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.324 -21.999 13.611 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.216 -24.351 13.026 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -3.033 -23.756 11.878 1.00 10.00 H new ATOM 0 HG LEU A 100 -1.428 -24.042 14.078 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.036 -26.181 15.181 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -3.294 -24.949 15.440 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -3.545 -26.237 14.238 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.710 -26.187 13.061 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -2.219 -26.245 12.119 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -1.025 -24.961 11.811 1.00 10.00 H new ATOM 1467 N THR A 101 -3.826 -20.339 12.584 1.00 10.00 N ATOM 1468 CA THR A 101 -4.698 -19.379 11.849 1.00 10.00 C ATOM 1469 C THR A 101 -4.636 -19.641 10.341 1.00 10.00 C ATOM 1470 O THR A 101 -5.545 -19.308 9.606 1.00 10.00 O ATOM 1471 CB THR A 101 -4.127 -17.998 12.175 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.714 -18.028 12.039 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.495 -17.615 13.609 1.00 10.00 C ATOM 0 H THR A 101 -2.913 -19.975 12.855 1.00 10.00 H new ATOM 0 HA THR A 101 -5.744 -19.471 12.140 1.00 10.00 H new ATOM 0 HB THR A 101 -4.544 -17.262 11.488 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.347 -17.143 12.246 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.087 -16.631 13.839 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.580 -17.591 13.712 1.00 10.00 H new ATOM 0 HG23 THR A 101 -4.081 -18.350 14.300 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.569 -20.231 9.871 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.457 -20.505 8.409 1.00 10.00 C ATOM 1483 C CYS A 102 -4.439 -21.607 7.998 1.00 10.00 C ATOM 1484 O CYS A 102 -4.910 -21.643 6.879 1.00 10.00 O ATOM 1485 CB CYS A 102 -2.012 -20.960 8.193 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.700 -22.477 9.132 1.00 10.00 S ATOM 0 H CYS A 102 -2.774 -20.534 10.433 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.697 -19.628 7.808 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.831 -21.134 7.132 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.323 -20.177 8.510 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.751 -22.503 8.893 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.702 -23.599 8.548 1.00 10.00 C ATOM 1493 C ILE A 103 -6.736 -23.785 9.663 1.00 10.00 C ATOM 1494 O ILE A 103 -7.234 -24.871 9.882 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.832 -24.847 8.412 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -4.060 -25.073 9.713 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.844 -24.658 7.259 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.550 -26.362 10.376 1.00 50.00 C ATOM 0 H ILE A 103 -4.390 -22.525 9.847 1.00 10.00 H new ATOM 0 HA ILE A 103 -6.260 -23.386 7.636 1.00 10.00 H new ATOM 0 HB ILE A 103 -5.465 -25.711 8.209 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.992 -25.140 9.508 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.203 -24.227 10.386 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -3.223 -25.549 7.162 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -4.394 -24.496 6.332 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -3.210 -23.794 7.461 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -4.001 -26.525 11.304 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.615 -26.277 10.594 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.384 -27.203 9.703 1.00 50.00 H new ATOM 1510 N GLY A 104 -7.062 -22.737 10.371 1.00 10.00 N ATOM 1511 CA GLY A 104 -8.062 -22.867 11.470 1.00 10.00 C ATOM 1512 C GLY A 104 -9.224 -21.900 11.225 1.00 10.00 C ATOM 1513 O GLY A 104 -9.063 -20.860 10.617 1.00 10.00 O ATOM 0 H GLY A 104 -6.681 -21.800 10.237 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.432 -23.891 11.519 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.593 -22.651 12.430 1.00 10.00 H new ATOM 1517 N SER A 105 -10.395 -22.236 11.696 1.00 10.00 N ATOM 1518 CA SER A 105 -11.569 -21.338 11.492 1.00 10.00 C ATOM 1519 C SER A 105 -12.323 -21.150 12.813 1.00 10.00 C ATOM 1520 O SER A 105 -12.387 -22.049 13.626 1.00 10.00 O ATOM 1521 CB SER A 105 -12.448 -22.061 10.471 1.00 10.00 C ATOM 1522 OG SER A 105 -13.712 -21.420 10.395 1.00 10.00 O ATOM 0 H SER A 105 -10.590 -23.093 12.213 1.00 10.00 H new ATOM 0 HA SER A 105 -11.277 -20.346 11.147 1.00 10.00 H new ATOM 0 HB2 SER A 105 -11.967 -22.056 9.493 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.575 -23.105 10.759 1.00 10.00 H new ATOM 0 HG SER A 105 -14.368 -22.035 10.006 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.871 -19.976 12.978 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.632 -19.656 14.211 1.00 10.00 C ATOM 1530 C PRO A 106 -14.977 -20.389 14.222 1.00 10.00 C ATOM 1531 O PRO A 106 -15.634 -20.515 13.206 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.838 -18.146 14.122 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.758 -17.831 12.661 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.835 -18.848 12.041 1.00 10.00 C ATOM 0 HA PRO A 106 -13.116 -19.960 15.121 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.803 -17.854 14.537 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.074 -17.609 14.684 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.746 -17.876 12.202 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.380 -16.821 12.504 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -13.175 -19.143 11.048 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.825 -18.454 11.929 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.391 -20.873 15.360 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.692 -21.599 15.434 1.00 10.00 C ATOM 1544 C ALA A 107 -17.673 -20.839 16.332 1.00 10.00 C ATOM 1545 O ALA A 107 -18.862 -21.086 16.315 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.353 -22.959 16.043 1.00 50.00 C ATOM 0 H ALA A 107 -14.885 -20.798 16.243 1.00 10.00 H new ATOM 0 HA ALA A 107 -17.166 -21.696 14.457 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -17.261 -23.555 16.131 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.640 -23.477 15.402 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.916 -22.816 17.031 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.185 -19.919 17.117 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.093 -19.149 18.015 1.00 10.00 C ATOM 1554 C ALA A 108 -18.422 -17.787 17.399 1.00 10.00 C ATOM 1555 O ALA A 108 -17.621 -17.201 16.696 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.309 -18.972 19.315 1.00 50.00 C ATOM 0 H ALA A 108 -16.198 -19.667 17.176 1.00 10.00 H new ATOM 0 HA ALA A 108 -19.042 -19.661 18.176 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.912 -18.412 20.030 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.068 -19.950 19.731 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.387 -18.427 19.113 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.595 -17.276 17.659 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.977 -15.951 17.093 1.00 50.00 C ATOM 1564 C ASP A 109 -18.897 -14.913 17.412 1.00 50.00 C ATOM 1565 O ASP A 109 -18.650 -14.005 16.644 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.290 -15.588 17.787 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.078 -15.565 19.302 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -20.565 -16.541 19.823 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -21.431 -14.571 19.915 1.00 50.00 O ATOM 0 H ASP A 109 -20.306 -17.720 18.240 1.00 50.00 H new ATOM 0 HA ASP A 109 -20.084 -15.978 16.009 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.638 -14.614 17.443 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -22.063 -16.312 17.528 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.255 -15.043 18.539 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.192 -14.066 18.912 1.00 10.00 C ATOM 1576 C GLU A 110 -15.996 -14.799 19.526 1.00 10.00 C ATOM 1577 O GLU A 110 -16.112 -15.454 20.542 1.00 10.00 O ATOM 1578 CB GLU A 110 -17.847 -13.150 19.945 1.00 10.00 C ATOM 1579 CG GLU A 110 -16.906 -11.986 20.264 1.00 10.00 C ATOM 1580 CD GLU A 110 -16.732 -11.115 19.018 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -15.825 -11.390 18.250 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -17.509 -10.189 18.854 1.00 50.00 O ATOM 0 H GLU A 110 -18.420 -15.785 19.220 1.00 10.00 H new ATOM 0 HA GLU A 110 -16.817 -13.510 18.052 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.795 -12.771 19.562 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -18.071 -13.710 20.853 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -17.310 -11.391 21.083 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -15.939 -12.366 20.593 1.00 10.00 H new ATOM 1589 N VAL A 111 -14.846 -14.698 18.915 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.648 -15.393 19.468 1.00 10.00 C ATOM 1591 C VAL A 111 -12.464 -14.426 19.554 1.00 10.00 C ATOM 1592 O VAL A 111 -11.911 -14.014 18.554 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.354 -16.518 18.475 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.133 -17.310 18.944 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.566 -17.450 18.391 1.00 12.50 C ATOM 0 H VAL A 111 -14.685 -14.166 18.060 1.00 10.00 H new ATOM 0 HA VAL A 111 -13.818 -15.771 20.476 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.152 -16.092 17.492 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -11.925 -18.111 18.235 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.270 -16.646 19.005 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.332 -17.738 19.927 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.359 -18.253 17.684 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -14.767 -17.875 19.374 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.436 -16.886 18.055 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.070 -14.065 20.745 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.921 -13.127 20.900 1.00 10.00 C ATOM 1607 C LYS A 112 -9.600 -13.891 20.782 1.00 10.00 C ATOM 1608 O LYS A 112 -9.470 -14.999 21.261 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.078 -12.539 22.304 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.031 -11.343 22.251 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.229 -10.783 23.661 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.591 -10.093 23.747 1.00 25.00 C ATOM 1613 NZ LYS A 112 -13.937 -10.110 25.197 1.00 25.00 N ATOM 0 H LYS A 112 -12.494 -14.379 21.618 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.911 -12.352 20.133 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.465 -13.296 22.986 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.107 -12.228 22.690 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -11.627 -10.572 21.596 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.990 -11.647 21.831 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -12.169 -11.587 24.395 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -11.435 -10.075 23.898 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -13.543 -9.074 23.364 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -14.339 -10.620 23.156 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.728 -9.458 25.373 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.214 -11.073 25.477 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.111 -9.811 25.754 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.618 -13.310 20.146 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.306 -14.005 19.997 1.00 10.00 C ATOM 1629 C ILE A 113 -6.196 -13.000 19.679 1.00 10.00 C ATOM 1630 O ILE A 113 -6.445 -11.911 19.203 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.504 -14.976 18.834 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.144 -15.492 18.359 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.204 -14.255 17.681 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.333 -16.334 17.096 1.00 10.00 C ATOM 0 H ILE A 113 -8.668 -12.383 19.723 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.007 -14.517 20.912 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.116 -15.816 19.165 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.476 -14.655 18.155 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.676 -16.090 19.141 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.345 -14.947 16.851 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.174 -13.888 18.017 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.592 -13.415 17.352 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.365 -16.702 16.756 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.986 -17.179 17.316 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.783 -15.722 16.314 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.969 -13.368 19.930 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.832 -12.449 19.635 1.00 10.00 C ATOM 1648 C VAL A 114 -3.109 -12.929 18.368 1.00 10.00 C ATOM 1649 O VAL A 114 -2.875 -14.110 18.189 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.933 -12.529 20.884 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.455 -12.665 20.494 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.111 -11.256 21.712 1.00 50.00 C ATOM 0 H VAL A 114 -4.704 -14.269 20.328 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.138 -11.421 19.443 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.223 -13.407 21.461 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.844 -12.719 21.395 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.316 -13.572 19.906 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.154 -11.800 19.903 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.477 -11.306 22.597 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.829 -10.390 21.113 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.153 -11.163 22.017 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.761 -12.029 17.487 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.063 -12.447 16.237 1.00 10.00 C ATOM 1664 C TYR A 115 -0.553 -12.195 16.354 1.00 10.00 C ATOM 1665 O TYR A 115 -0.108 -11.352 17.112 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.711 -11.606 15.119 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.881 -10.383 14.788 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.767 -9.336 15.711 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.230 -10.297 13.550 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.003 -8.206 15.396 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.467 -9.166 13.236 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.354 -8.120 14.160 1.00 50.00 C ATOM 1673 OH TYR A 115 0.400 -7.006 13.852 1.00 50.00 O ATOM 0 H TYR A 115 -2.929 -11.027 17.578 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.166 -13.513 16.033 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.830 -12.218 14.225 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.709 -11.296 15.428 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.268 -9.400 16.665 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.317 -11.104 12.837 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.915 -7.399 16.109 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.034 -9.100 12.282 1.00 50.00 H new ATOM 0 HH TYR A 115 0.346 -6.361 14.588 1.00 50.00 H new ATOM 1683 N ASN A 116 0.233 -12.936 15.613 1.00 10.00 N ATOM 1684 CA ASN A 116 1.716 -12.770 15.669 1.00 10.00 C ATOM 1685 C ASN A 116 2.262 -13.359 16.973 1.00 10.00 C ATOM 1686 O ASN A 116 2.915 -12.685 17.745 1.00 10.00 O ATOM 1687 CB ASN A 116 1.965 -11.261 15.611 1.00 10.00 C ATOM 1688 CG ASN A 116 3.187 -10.978 14.735 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.940 -11.877 14.415 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.416 -9.759 14.328 1.00 10.00 N ATOM 0 H ASN A 116 -0.093 -13.654 14.967 1.00 10.00 H new ATOM 0 HA ASN A 116 2.216 -13.287 14.850 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.089 -10.753 15.207 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.126 -10.869 16.615 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.227 -9.561 13.742 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.784 -9.005 14.596 1.00 10.00 H new ATOM 1697 N ALA A 117 2.001 -14.615 17.223 1.00 10.00 N ATOM 1698 CA ALA A 117 2.505 -15.246 18.478 1.00 10.00 C ATOM 1699 C ALA A 117 4.005 -15.534 18.367 1.00 10.00 C ATOM 1700 O ALA A 117 4.707 -15.605 19.357 1.00 10.00 O ATOM 1701 CB ALA A 117 1.717 -16.550 18.612 1.00 50.00 C ATOM 0 H ALA A 117 1.462 -15.230 16.614 1.00 10.00 H new ATOM 0 HA ALA A 117 2.372 -14.598 19.344 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.032 -17.074 19.514 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.652 -16.327 18.675 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.905 -17.180 17.742 1.00 50.00 H new HETATM 1707 OH ALY A 118 10.253 -12.308 14.963 1.00 0.00 O HETATM 1708 CH ALY A 118 9.819 -12.186 13.835 1.00 0.00 C HETATM 1709 CH3 ALY A 118 10.530 -11.313 12.800 1.00 0.00 C HETATM 1710 NZ ALY A 118 8.724 -12.791 13.462 1.00 50.00 N HETATM 1711 CE ALY A 118 7.781 -13.038 14.589 1.00 50.00 C HETATM 1712 CD ALY A 118 6.643 -13.857 13.977 1.00 12.50 C HETATM 1713 CG ALY A 118 5.747 -14.398 15.094 1.00 12.50 C HETATM 1714 CB ALY A 118 6.240 -15.781 15.521 1.00 12.50 C HETATM 1715 CA ALY A 118 5.959 -15.985 17.011 1.00 12.50 C HETATM 1716 N ALY A 118 4.504 -15.702 17.173 1.00 12.50 N HETATM 1717 C ALY A 118 6.781 -15.006 17.852 1.00 12.50 C HETATM 1718 O ALY A 118 7.901 -15.283 18.228 1.00 12.50 O HETATM 0 HH33 ALY A 118 10.578 -10.286 13.162 1.00 0.00 H new HETATM 0 HH32 ALY A 118 11.541 -11.689 12.640 1.00 0.00 H new HETATM 0 HH31 ALY A 118 9.979 -11.341 11.860 1.00 0.00 H new HETATM 0 HZ ALY A 118 8.534 -13.066 12.498 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.715 -14.459 14.749 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.759 -13.718 15.945 1.00 12.50 H new HETATM 0 HE3 ALY A 118 7.413 -12.102 15.009 1.00 50.00 H new HETATM 0 HE2 ALY A 118 8.267 -13.581 15.399 1.00 50.00 H new HETATM 0 HD3 ALY A 118 7.048 -14.681 13.390 1.00 12.50 H new HETATM 0 HD2 ALY A 118 6.060 -13.237 13.296 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.225 -16.989 17.340 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.308 -15.874 15.325 1.00 12.50 H new HETATM 0 HB2 ALY A 118 5.740 -16.553 14.937 1.00 12.50 H new HETATM 0 H ALY A 118 3.943 -15.438 16.363 1.00 12.50 H new ATOM 1732 N HIS A 119 6.228 -13.862 18.152 1.00 50.00 N ATOM 1733 CA HIS A 119 6.974 -12.865 18.973 1.00 50.00 C ATOM 1734 C HIS A 119 7.323 -13.462 20.338 1.00 50.00 C ATOM 1735 O HIS A 119 8.346 -13.157 20.918 1.00 50.00 O ATOM 1736 CB HIS A 119 6.014 -11.686 19.134 1.00 50.00 C ATOM 1737 CG HIS A 119 5.991 -10.881 17.864 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.140 -10.340 17.311 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.965 -10.517 17.028 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.783 -9.687 16.190 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.466 -9.763 15.971 1.00 50.00 N ATOM 0 H HIS A 119 5.293 -13.575 17.864 1.00 50.00 H new ATOM 0 HA HIS A 119 7.913 -12.565 18.507 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.012 -12.048 19.366 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.328 -11.059 19.969 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.085 -10.422 17.686 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.926 -10.776 17.169 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.475 -9.165 15.546 1.00 50.00 H new ATOM 1749 N LEU A 120 6.477 -14.309 20.856 1.00 12.50 N ATOM 1750 CA LEU A 120 6.759 -14.925 22.183 1.00 12.50 C ATOM 1751 C LEU A 120 8.213 -15.398 22.248 1.00 12.50 C ATOM 1752 O LEU A 120 8.645 -16.218 21.462 1.00 12.50 O ATOM 1753 CB LEU A 120 5.804 -16.115 22.278 1.00 12.50 C ATOM 1754 CG LEU A 120 4.949 -15.984 23.540 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.579 -16.620 23.295 1.00 12.50 C ATOM 1756 CD2 LEU A 120 5.643 -16.696 24.703 1.00 12.50 C ATOM 0 H LEU A 120 5.603 -14.601 20.418 1.00 12.50 H new ATOM 0 HA LEU A 120 6.617 -14.222 23.003 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.165 -16.154 21.396 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.369 -17.047 22.304 1.00 12.50 H new ATOM 0 HG LEU A 120 4.821 -14.930 23.785 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.969 -16.527 24.193 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.085 -16.112 22.467 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.706 -17.674 23.050 1.00 12.50 H new ATOM 0 HD21 LEU A 120 5.034 -16.603 25.602 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.771 -17.751 24.459 1.00 12.50 H new ATOM 0 HD23 LEU A 120 6.619 -16.242 24.877 1.00 12.50 H new ATOM 1768 N ASP A 121 8.972 -14.887 23.178 1.00 50.00 N ATOM 1769 CA ASP A 121 10.398 -15.308 23.291 1.00 50.00 C ATOM 1770 C ASP A 121 10.485 -16.743 23.817 1.00 50.00 C ATOM 1771 O ASP A 121 11.294 -17.531 23.368 1.00 50.00 O ATOM 1772 CB ASP A 121 11.022 -14.332 24.289 1.00 50.00 C ATOM 1773 CG ASP A 121 11.263 -12.986 23.604 1.00 50.00 C ATOM 1774 OD1 ASP A 121 11.637 -12.993 22.443 1.00 50.00 O ATOM 1775 OD2 ASP A 121 11.069 -11.971 24.252 1.00 50.00 O ATOM 0 H ASP A 121 8.667 -14.197 23.864 1.00 50.00 H new ATOM 0 HA ASP A 121 10.911 -15.291 22.330 1.00 50.00 H new ATOM 0 HB2 ASP A 121 10.363 -14.202 25.147 1.00 50.00 H new ATOM 0 HB3 ASP A 121 11.962 -14.733 24.667 1.00 50.00 H new ATOM 1780 N TYR A 122 9.657 -17.089 24.764 1.00 16.66 N ATOM 1781 CA TYR A 122 9.692 -18.475 25.316 1.00 16.66 C ATOM 1782 C TYR A 122 9.506 -19.491 24.187 1.00 16.66 C ATOM 1783 O TYR A 122 9.838 -20.651 24.320 1.00 16.66 O ATOM 1784 CB TYR A 122 8.521 -18.541 26.297 1.00 16.66 C ATOM 1785 CG TYR A 122 8.822 -19.554 27.376 1.00 16.66 C ATOM 1786 CD1 TYR A 122 8.561 -20.912 27.155 1.00 16.66 C ATOM 1787 CD2 TYR A 122 9.361 -19.135 28.597 1.00 16.66 C ATOM 1788 CE1 TYR A 122 8.839 -21.850 28.156 1.00 16.66 C ATOM 1789 CE2 TYR A 122 9.640 -20.074 29.599 1.00 16.66 C ATOM 1790 CZ TYR A 122 9.379 -21.431 29.378 1.00 16.66 C ATOM 1791 OH TYR A 122 9.653 -22.356 30.364 1.00 16.66 O ATOM 0 H TYR A 122 8.958 -16.473 25.180 1.00 16.66 H new ATOM 0 HA TYR A 122 10.640 -18.706 25.801 1.00 16.66 H new ATOM 0 HB2 TYR A 122 8.350 -17.561 26.742 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.607 -18.816 25.770 1.00 16.66 H new ATOM 0 HD1 TYR A 122 8.145 -21.236 26.212 1.00 16.66 H new ATOM 0 HD2 TYR A 122 9.562 -18.088 28.767 1.00 16.66 H new ATOM 0 HE1 TYR A 122 8.637 -22.897 27.986 1.00 16.66 H new ATOM 0 HE2 TYR A 122 10.056 -19.751 30.542 1.00 16.66 H new ATOM 0 HH TYR A 122 10.024 -21.899 31.147 1.00 16.66 H new ATOM 1801 N LEU A 123 8.978 -19.060 23.075 1.00 50.00 N ATOM 1802 CA LEU A 123 8.770 -19.997 21.934 1.00 50.00 C ATOM 1803 C LEU A 123 9.849 -19.786 20.869 1.00 50.00 C ATOM 1804 O LEU A 123 10.302 -20.721 20.239 1.00 50.00 O ATOM 1805 CB LEU A 123 7.392 -19.639 21.376 1.00 50.00 C ATOM 1806 CG LEU A 123 6.524 -20.896 21.308 1.00 50.00 C ATOM 1807 CD1 LEU A 123 5.236 -20.583 20.546 1.00 50.00 C ATOM 1808 CD2 LEU A 123 7.288 -22.005 20.583 1.00 50.00 C ATOM 0 H LEU A 123 8.681 -18.099 22.906 1.00 50.00 H new ATOM 0 HA LEU A 123 8.829 -21.041 22.242 1.00 50.00 H new ATOM 0 HB2 LEU A 123 6.916 -18.890 22.008 1.00 50.00 H new ATOM 0 HB3 LEU A 123 7.493 -19.200 20.383 1.00 50.00 H new ATOM 0 HG LEU A 123 6.279 -21.224 22.318 1.00 50.00 H new ATOM 0 HD11 LEU A 123 4.616 -21.478 20.496 1.00 50.00 H new ATOM 0 HD12 LEU A 123 4.691 -19.792 21.062 1.00 50.00 H new ATOM 0 HD13 LEU A 123 5.481 -20.255 19.536 1.00 50.00 H new ATOM 0 HD21 LEU A 123 6.669 -22.901 20.534 1.00 50.00 H new ATOM 0 HD22 LEU A 123 7.533 -21.678 19.572 1.00 50.00 H new ATOM 0 HD23 LEU A 123 8.207 -22.228 21.125 1.00 50.00 H new ATOM 1820 N GLN A 124 10.263 -18.566 20.662 1.00 50.00 N ATOM 1821 CA GLN A 124 11.312 -18.299 19.636 1.00 50.00 C ATOM 1822 C GLN A 124 12.574 -19.108 19.942 1.00 50.00 C ATOM 1823 O GLN A 124 13.427 -19.288 19.096 1.00 50.00 O ATOM 1824 CB GLN A 124 11.594 -16.799 19.739 1.00 50.00 C ATOM 1825 CG GLN A 124 11.135 -16.108 18.454 1.00 50.00 C ATOM 1826 CD GLN A 124 11.463 -14.615 18.533 1.00 50.00 C ATOM 1827 OE1 GLN A 124 11.886 -14.023 17.560 1.00 50.00 O ATOM 1828 NE2 GLN A 124 11.286 -13.979 19.659 1.00 50.00 N ATOM 0 H GLN A 124 9.921 -17.743 21.158 1.00 50.00 H new ATOM 0 HA GLN A 124 10.991 -18.585 18.634 1.00 50.00 H new ATOM 0 HB2 GLN A 124 11.072 -16.378 20.598 1.00 50.00 H new ATOM 0 HB3 GLN A 124 12.659 -16.628 19.897 1.00 50.00 H new ATOM 0 HG2 GLN A 124 11.629 -16.555 17.591 1.00 50.00 H new ATOM 0 HG3 GLN A 124 10.063 -16.249 18.315 1.00 50.00 H new ATOM 0 HE21 GLN A 124 10.931 -14.477 20.475 1.00 50.00 H new ATOM 0 HE22 GLN A 124 11.503 -12.984 19.722 1.00 50.00 H new ATOM 1837 N ASN A 125 12.700 -19.598 21.145 1.00 50.00 N ATOM 1838 CA ASN A 125 13.907 -20.396 21.502 1.00 50.00 C ATOM 1839 C ASN A 125 13.916 -21.712 20.719 1.00 50.00 C ATOM 1840 O ASN A 125 14.958 -22.276 20.447 1.00 50.00 O ATOM 1841 CB ASN A 125 13.777 -20.664 23.000 1.00 50.00 C ATOM 1842 CG ASN A 125 14.600 -19.630 23.773 1.00 50.00 C ATOM 1843 OD1 ASN A 125 15.687 -19.274 23.364 1.00 50.00 O ATOM 1844 ND2 ASN A 125 14.123 -19.131 24.880 1.00 50.00 N ATOM 0 H ASN A 125 12.020 -19.480 21.896 1.00 50.00 H new ATOM 0 HA ASN A 125 14.834 -19.875 21.262 1.00 50.00 H new ATOM 0 HB2 ASN A 125 12.731 -20.611 23.301 1.00 50.00 H new ATOM 0 HB3 ASN A 125 14.125 -21.670 23.233 1.00 50.00 H new ATOM 0 HD21 ASN A 125 14.663 -18.441 25.403 1.00 50.00 H new ATOM 0 HD22 ASN A 125 13.210 -19.430 25.223 1.00 50.00 H new ATOM 1851 N ARG A 126 12.764 -22.203 20.352 1.00 50.00 N ATOM 1852 CA ARG A 126 12.706 -23.478 19.583 1.00 50.00 C ATOM 1853 C ARG A 126 12.479 -23.182 18.099 1.00 50.00 C ATOM 1854 O ARG A 126 12.234 -24.071 17.307 1.00 50.00 O ATOM 1855 CB ARG A 126 11.515 -24.241 20.165 1.00 50.00 C ATOM 1856 CG ARG A 126 11.967 -25.026 21.399 1.00 50.00 C ATOM 1857 CD ARG A 126 12.053 -24.084 22.599 1.00 50.00 C ATOM 1858 NE ARG A 126 11.813 -24.953 23.785 1.00 50.00 N ATOM 1859 CZ ARG A 126 10.966 -24.581 24.706 1.00 50.00 C ATOM 1860 NH1 ARG A 126 9.787 -24.137 24.367 1.00 50.00 N ATOM 1861 NH2 ARG A 126 11.300 -24.652 25.966 1.00 50.00 N ATOM 0 H ARG A 126 11.860 -21.776 20.552 1.00 50.00 H new ATOM 0 HA ARG A 126 13.630 -24.051 19.659 1.00 50.00 H new ATOM 0 HB2 ARG A 126 10.720 -23.546 20.434 1.00 50.00 H new ATOM 0 HB3 ARG A 126 11.105 -24.921 19.418 1.00 50.00 H new ATOM 0 HG2 ARG A 126 11.265 -25.834 21.607 1.00 50.00 H new ATOM 0 HG3 ARG A 126 12.937 -25.487 21.215 1.00 50.00 H new ATOM 0 HD2 ARG A 126 13.029 -23.601 22.654 1.00 50.00 H new ATOM 0 HD3 ARG A 126 11.308 -23.291 22.533 1.00 50.00 H new ATOM 0 HE ARG A 126 12.310 -25.839 23.877 1.00 50.00 H new ATOM 0 HH11 ARG A 126 9.527 -24.081 23.382 1.00 50.00 H new ATOM 0 HH12 ARG A 126 9.125 -23.846 25.087 1.00 50.00 H new ATOM 0 HH21 ARG A 126 12.222 -24.998 26.230 1.00 50.00 H new ATOM 0 HH22 ARG A 126 10.639 -24.361 26.686 1.00 50.00 H new ATOM 1875 N VAL A 127 12.559 -21.936 17.718 1.00 50.00 N ATOM 1876 CA VAL A 127 12.347 -21.580 16.285 1.00 50.00 C ATOM 1877 C VAL A 127 13.155 -22.515 15.381 1.00 50.00 C ATOM 1878 O VAL A 127 12.737 -22.858 14.294 1.00 50.00 O ATOM 1879 CB VAL A 127 12.850 -20.141 16.156 1.00 50.00 C ATOM 1880 CG1 VAL A 127 14.337 -20.087 16.510 1.00 50.00 C ATOM 1881 CG2 VAL A 127 12.650 -19.658 14.718 1.00 50.00 C ATOM 0 H VAL A 127 12.762 -21.150 18.336 1.00 50.00 H new ATOM 0 HA VAL A 127 11.303 -21.675 15.986 1.00 50.00 H new ATOM 0 HB VAL A 127 12.291 -19.498 16.836 1.00 50.00 H new ATOM 0 HG11 VAL A 127 14.696 -19.062 16.418 1.00 50.00 H new ATOM 0 HG12 VAL A 127 14.480 -20.431 17.534 1.00 50.00 H new ATOM 0 HG13 VAL A 127 14.896 -20.729 15.830 1.00 50.00 H new ATOM 0 HG21 VAL A 127 13.008 -18.633 14.625 1.00 50.00 H new ATOM 0 HG22 VAL A 127 13.209 -20.300 14.037 1.00 50.00 H new ATOM 0 HG23 VAL A 127 11.590 -19.696 14.465 1.00 50.00 H new ATOM 1891 N ILE A 128 14.312 -22.931 15.822 1.00 50.00 N ATOM 1892 CA ILE A 128 15.141 -23.842 14.983 1.00 50.00 C ATOM 1893 C ILE A 128 14.409 -25.168 14.764 1.00 50.00 C ATOM 1894 O ILE A 128 14.320 -25.938 15.706 1.00 50.00 O ATOM 1895 CB ILE A 128 16.425 -24.065 15.784 1.00 50.00 C ATOM 1896 CG1 ILE A 128 17.196 -22.748 15.890 1.00 50.00 C ATOM 1897 CG2 ILE A 128 17.291 -25.106 15.072 1.00 50.00 C ATOM 1898 CD1 ILE A 128 17.477 -22.440 17.362 1.00 50.00 C ATOM 1899 OXT ILE A 128 13.949 -25.391 13.656 1.00 50.00 O ATOM 0 H ILE A 128 14.717 -22.680 16.724 1.00 50.00 H new ATOM 0 HA ILE A 128 15.345 -23.423 13.998 1.00 50.00 H new ATOM 0 HB ILE A 128 16.174 -24.420 16.784 1.00 50.00 H new ATOM 0 HG12 ILE A 128 18.132 -22.817 15.336 1.00 50.00 H new ATOM 0 HG13 ILE A 128 16.619 -21.939 15.442 1.00 50.00 H new ATOM 0 HG21 ILE A 128 18.207 -25.267 15.640 1.00 50.00 H new ATOM 0 HG22 ILE A 128 16.742 -26.044 14.995 1.00 50.00 H new ATOM 0 HG23 ILE A 128 17.542 -24.749 14.073 1.00 50.00 H new ATOM 0 HD11 ILE A 128 18.026 -21.502 17.439 1.00 50.00 H new ATOM 0 HD12 ILE A 128 16.534 -22.354 17.902 1.00 50.00 H new ATOM 0 HD13 ILE A 128 18.071 -23.245 17.795 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.418 -23.700 9.524 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.233 -22.309 10.169 1.00 0.00 FE HETATM 1914 S1 FES A 130 1.834 -21.683 8.713 1.00 0.00 S HETATM 1915 S2 FES A 130 0.832 -24.312 10.998 1.00 0.00 S