USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -2.87! C(o=-2.5!,f=-3.6!) USER MOD Set 1.2: A 32 THR OG1 : rot -112:sc= 0.406 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -178:sc=-0.000128 (180deg=-0.0185) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.0072 USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.043) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0136 K(o=-0.014,f=-5.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -165:sc= 0.352 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -8:sc= 0.873 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -120:sc= -1.02 (180deg=-4.58!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 56 MET CE :methyl 162:sc= -0.0338 (180deg=-0.605) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.57) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 27:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.565 5.163 21.275 1.00 0.00 N ATOM 2 CA GLY A 1 12.057 4.144 20.375 1.00 0.00 C ATOM 3 C GLY A 1 11.596 2.901 21.108 1.00 0.00 C ATOM 4 O GLY A 1 11.489 2.899 22.335 1.00 0.00 O ATOM 0 H1 GLY A 1 12.064 6.058 21.104 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.413 4.864 22.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.583 5.298 21.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.226 4.553 19.801 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.835 3.874 19.661 1.00 0.00 H new ATOM 8 N SER A 2 11.320 1.840 20.356 1.00 0.00 N ATOM 9 CA SER A 2 10.863 0.585 20.942 1.00 0.00 C ATOM 10 C SER A 2 12.044 -0.313 21.293 1.00 0.00 C ATOM 11 O SER A 2 12.996 -0.435 20.522 1.00 0.00 O ATOM 12 CB SER A 2 9.924 -0.141 19.976 1.00 0.00 C ATOM 13 OG SER A 2 9.105 -1.071 20.663 1.00 0.00 O ATOM 0 H SER A 2 11.405 1.824 19.340 1.00 0.00 H new ATOM 0 HA SER A 2 10.321 0.817 21.859 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.298 0.585 19.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.509 -0.659 19.216 1.00 0.00 H new ATOM 0 HG SER A 2 8.513 -1.520 20.024 1.00 0.00 H new ATOM 19 N SER A 3 11.975 -0.942 22.462 1.00 0.00 N ATOM 20 CA SER A 3 13.040 -1.827 22.919 1.00 0.00 C ATOM 21 C SER A 3 12.859 -3.232 22.352 1.00 0.00 C ATOM 22 O SER A 3 11.797 -3.571 21.832 1.00 0.00 O ATOM 23 CB SER A 3 13.068 -1.881 24.447 1.00 0.00 C ATOM 24 OG SER A 3 11.857 -2.408 24.961 1.00 0.00 O ATOM 0 H SER A 3 11.192 -0.855 23.110 1.00 0.00 H new ATOM 0 HA SER A 3 13.989 -1.428 22.560 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.905 -2.496 24.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.231 -0.880 24.846 1.00 0.00 H new ATOM 0 HG SER A 3 11.901 -2.434 25.940 1.00 0.00 H new ATOM 30 N GLY A 4 13.906 -4.045 22.457 1.00 0.00 N ATOM 31 CA GLY A 4 13.844 -5.404 21.951 1.00 0.00 C ATOM 32 C GLY A 4 12.650 -6.168 22.487 1.00 0.00 C ATOM 33 O GLY A 4 12.097 -5.817 23.530 1.00 0.00 O ATOM 0 H GLY A 4 14.796 -3.787 22.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.798 -5.381 20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.759 -5.931 22.220 1.00 0.00 H new ATOM 37 N SER A 5 12.249 -7.214 21.772 1.00 0.00 N ATOM 38 CA SER A 5 11.109 -8.027 22.180 1.00 0.00 C ATOM 39 C SER A 5 11.200 -9.429 21.585 1.00 0.00 C ATOM 40 O SER A 5 11.614 -9.603 20.439 1.00 0.00 O ATOM 41 CB SER A 5 9.801 -7.361 21.747 1.00 0.00 C ATOM 42 OG SER A 5 8.706 -7.847 22.505 1.00 0.00 O ATOM 0 H SER A 5 12.696 -7.519 20.907 1.00 0.00 H new ATOM 0 HA SER A 5 11.124 -8.111 23.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.881 -6.281 21.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.626 -7.550 20.688 1.00 0.00 H new ATOM 0 HG SER A 5 7.882 -7.405 22.211 1.00 0.00 H new ATOM 48 N SER A 6 10.812 -10.426 22.374 1.00 0.00 N ATOM 49 CA SER A 6 10.853 -11.814 21.928 1.00 0.00 C ATOM 50 C SER A 6 9.641 -12.142 21.061 1.00 0.00 C ATOM 51 O SER A 6 8.515 -11.766 21.382 1.00 0.00 O ATOM 52 CB SER A 6 10.905 -12.757 23.131 1.00 0.00 C ATOM 53 OG SER A 6 9.667 -12.771 23.821 1.00 0.00 O ATOM 0 H SER A 6 10.466 -10.299 23.325 1.00 0.00 H new ATOM 0 HA SER A 6 11.753 -11.951 21.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.150 -13.765 22.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.699 -12.444 23.809 1.00 0.00 H new ATOM 0 HG SER A 6 9.725 -13.382 24.585 1.00 0.00 H new ATOM 59 N GLY A 7 9.883 -12.848 19.960 1.00 0.00 N ATOM 60 CA GLY A 7 8.803 -13.216 19.063 1.00 0.00 C ATOM 61 C GLY A 7 8.850 -14.678 18.668 1.00 0.00 C ATOM 62 O GLY A 7 9.908 -15.308 18.716 1.00 0.00 O ATOM 0 H GLY A 7 10.807 -13.171 19.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.848 -13.003 19.543 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.854 -12.599 18.166 1.00 0.00 H new ATOM 66 N LEU A 8 7.702 -15.222 18.279 1.00 0.00 N ATOM 67 CA LEU A 8 7.616 -16.621 17.875 1.00 0.00 C ATOM 68 C LEU A 8 6.890 -16.759 16.541 1.00 0.00 C ATOM 69 O LEU A 8 5.879 -16.100 16.302 1.00 0.00 O ATOM 70 CB LEU A 8 6.895 -17.438 18.949 1.00 0.00 C ATOM 71 CG LEU A 8 7.745 -17.882 20.139 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.860 -18.373 21.274 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.727 -18.966 19.719 1.00 0.00 C ATOM 0 H LEU A 8 6.818 -14.715 18.235 1.00 0.00 H new ATOM 0 HA LEU A 8 8.630 -17.003 17.756 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.059 -16.848 19.325 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.472 -18.326 18.479 1.00 0.00 H new ATOM 0 HG LEU A 8 8.314 -17.023 20.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.483 -18.685 22.112 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.198 -17.568 21.593 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.264 -19.218 20.931 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.324 -19.270 20.579 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.178 -19.826 19.337 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.384 -18.580 18.940 1.00 0.00 H new ATOM 85 N ASN A 9 7.412 -17.622 15.676 1.00 0.00 N ATOM 86 CA ASN A 9 6.812 -17.849 14.366 1.00 0.00 C ATOM 87 C ASN A 9 5.346 -18.249 14.501 1.00 0.00 C ATOM 88 O ASN A 9 5.033 -19.386 14.854 1.00 0.00 O ATOM 89 CB ASN A 9 7.582 -18.934 13.610 1.00 0.00 C ATOM 90 CG ASN A 9 7.817 -20.171 14.455 1.00 0.00 C ATOM 91 OD1 ASN A 9 8.345 -20.087 15.565 1.00 0.00 O ATOM 92 ND2 ASN A 9 7.426 -21.327 13.933 1.00 0.00 N ATOM 0 H ASN A 9 8.249 -18.176 15.858 1.00 0.00 H new ATOM 0 HA ASN A 9 6.865 -16.917 13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.028 -19.210 12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.541 -18.534 13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.559 -22.193 14.455 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.993 -21.349 13.010 1.00 0.00 H new ATOM 99 N ASP A 10 4.453 -17.308 14.216 1.00 0.00 N ATOM 100 CA ASP A 10 3.020 -17.563 14.303 1.00 0.00 C ATOM 101 C ASP A 10 2.301 -17.059 13.055 1.00 0.00 C ATOM 102 O ASP A 10 2.592 -15.972 12.555 1.00 0.00 O ATOM 103 CB ASP A 10 2.436 -16.894 15.548 1.00 0.00 C ATOM 104 CG ASP A 10 0.937 -17.090 15.662 1.00 0.00 C ATOM 105 OD1 ASP A 10 0.487 -18.254 15.625 1.00 0.00 O ATOM 106 OD2 ASP A 10 0.214 -16.079 15.787 1.00 0.00 O ATOM 0 H ASP A 10 4.696 -16.362 13.923 1.00 0.00 H new ATOM 0 HA ASP A 10 2.872 -18.640 14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.921 -17.300 16.436 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.659 -15.827 15.522 1.00 0.00 H new ATOM 111 N LEU A 11 1.363 -17.857 12.557 1.00 0.00 N ATOM 112 CA LEU A 11 0.603 -17.493 11.366 1.00 0.00 C ATOM 113 C LEU A 11 -0.891 -17.440 11.669 1.00 0.00 C ATOM 114 O LEU A 11 -1.570 -18.467 11.681 1.00 0.00 O ATOM 115 CB LEU A 11 0.872 -18.492 10.240 1.00 0.00 C ATOM 116 CG LEU A 11 2.262 -18.431 9.606 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.650 -19.788 9.038 1.00 0.00 C ATOM 118 CD2 LEU A 11 2.307 -17.365 8.521 1.00 0.00 C ATOM 0 H LEU A 11 1.110 -18.760 12.959 1.00 0.00 H new ATOM 0 HA LEU A 11 0.926 -16.502 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.716 -19.498 10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.130 -18.335 9.457 1.00 0.00 H new ATOM 0 HG LEU A 11 2.982 -18.164 10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.642 -19.725 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.659 -20.528 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.927 -20.084 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.304 -17.336 8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.576 -17.602 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.074 -16.393 8.956 1.00 0.00 H new ATOM 130 N LYS A 12 -1.398 -16.236 11.911 1.00 0.00 N ATOM 131 CA LYS A 12 -2.813 -16.047 12.210 1.00 0.00 C ATOM 132 C LYS A 12 -3.686 -16.786 11.201 1.00 0.00 C ATOM 133 O LYS A 12 -3.540 -16.605 9.992 1.00 0.00 O ATOM 134 CB LYS A 12 -3.161 -14.557 12.208 1.00 0.00 C ATOM 135 CG LYS A 12 -2.948 -13.881 13.552 1.00 0.00 C ATOM 136 CD LYS A 12 -4.023 -14.274 14.551 1.00 0.00 C ATOM 137 CE LYS A 12 -3.741 -13.697 15.929 1.00 0.00 C ATOM 138 NZ LYS A 12 -4.934 -13.770 16.817 1.00 0.00 N ATOM 0 H LYS A 12 -0.850 -15.376 11.906 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.007 -16.458 13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.554 -14.052 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.203 -14.436 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.968 -14.152 13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.951 -12.799 13.420 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.993 -13.923 14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.082 -15.361 14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.914 -14.239 16.387 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.425 -12.658 15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.700 -13.367 17.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.716 -13.231 16.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.220 -14.763 16.933 1.00 0.00 H new ATOM 152 N GLU A 13 -4.593 -17.616 11.705 1.00 0.00 N ATOM 153 CA GLU A 13 -5.490 -18.380 10.845 1.00 0.00 C ATOM 154 C GLU A 13 -6.668 -17.524 10.390 1.00 0.00 C ATOM 155 O GLU A 13 -6.916 -17.376 9.194 1.00 0.00 O ATOM 156 CB GLU A 13 -6.001 -19.622 11.579 1.00 0.00 C ATOM 157 CG GLU A 13 -5.070 -20.818 11.472 1.00 0.00 C ATOM 158 CD GLU A 13 -5.336 -21.655 10.236 1.00 0.00 C ATOM 159 OE1 GLU A 13 -6.462 -22.178 10.105 1.00 0.00 O ATOM 160 OE2 GLU A 13 -4.417 -21.787 9.400 1.00 0.00 O ATOM 0 H GLU A 13 -4.727 -17.777 12.703 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.929 -18.692 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.146 -19.378 12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.977 -19.895 11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.037 -20.470 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.182 -21.441 12.359 1.00 0.00 H new ATOM 167 N SER A 14 -7.392 -16.963 11.354 1.00 0.00 N ATOM 168 CA SER A 14 -8.547 -16.125 11.054 1.00 0.00 C ATOM 169 C SER A 14 -8.129 -14.669 10.872 1.00 0.00 C ATOM 170 O SER A 14 -8.182 -13.875 11.811 1.00 0.00 O ATOM 171 CB SER A 14 -9.586 -16.234 12.171 1.00 0.00 C ATOM 172 OG SER A 14 -10.073 -17.560 12.287 1.00 0.00 O ATOM 0 H SER A 14 -7.199 -17.074 12.349 1.00 0.00 H new ATOM 0 HA SER A 14 -8.988 -16.477 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.142 -15.922 13.116 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.415 -15.555 11.969 1.00 0.00 H new ATOM 0 HG SER A 14 -10.734 -17.604 13.009 1.00 0.00 H new ATOM 178 N SER A 15 -7.714 -14.326 9.657 1.00 0.00 N ATOM 179 CA SER A 15 -7.284 -12.967 9.351 1.00 0.00 C ATOM 180 C SER A 15 -7.614 -12.604 7.907 1.00 0.00 C ATOM 181 O SER A 15 -7.026 -13.143 6.970 1.00 0.00 O ATOM 182 CB SER A 15 -5.781 -12.819 9.595 1.00 0.00 C ATOM 183 OG SER A 15 -5.408 -11.453 9.666 1.00 0.00 O ATOM 0 H SER A 15 -7.666 -14.971 8.868 1.00 0.00 H new ATOM 0 HA SER A 15 -7.822 -12.285 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.509 -13.322 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.229 -13.309 8.793 1.00 0.00 H new ATOM 0 HG SER A 15 -4.443 -11.385 9.824 1.00 0.00 H new ATOM 189 N ASN A 16 -8.560 -11.687 7.735 1.00 0.00 N ATOM 190 CA ASN A 16 -8.971 -11.251 6.405 1.00 0.00 C ATOM 191 C ASN A 16 -8.761 -9.749 6.236 1.00 0.00 C ATOM 192 O ASN A 16 -9.585 -8.945 6.669 1.00 0.00 O ATOM 193 CB ASN A 16 -10.439 -11.603 6.161 1.00 0.00 C ATOM 194 CG ASN A 16 -10.872 -11.324 4.735 1.00 0.00 C ATOM 195 OD1 ASN A 16 -10.247 -11.791 3.782 1.00 0.00 O ATOM 196 ND2 ASN A 16 -11.945 -10.557 4.581 1.00 0.00 N ATOM 0 H ASN A 16 -9.057 -11.231 8.500 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.354 -11.771 5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.599 -12.657 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.065 -11.032 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.282 -10.333 3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.432 -10.191 5.399 1.00 0.00 H new ATOM 203 N ASN A 17 -7.653 -9.380 5.601 1.00 0.00 N ATOM 204 CA ASN A 17 -7.335 -7.975 5.374 1.00 0.00 C ATOM 205 C ASN A 17 -7.413 -7.632 3.890 1.00 0.00 C ATOM 206 O ASN A 17 -7.747 -8.482 3.063 1.00 0.00 O ATOM 207 CB ASN A 17 -5.938 -7.653 5.910 1.00 0.00 C ATOM 208 CG ASN A 17 -5.641 -8.368 7.214 1.00 0.00 C ATOM 209 OD1 ASN A 17 -6.279 -8.111 8.236 1.00 0.00 O ATOM 210 ND2 ASN A 17 -4.668 -9.271 7.185 1.00 0.00 N ATOM 0 H ASN A 17 -6.961 -10.034 5.235 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.070 -7.372 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.193 -7.935 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.848 -6.577 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.423 -9.784 8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.166 -9.452 6.316 1.00 0.00 H new ATOM 217 N ARG A 18 -7.103 -6.383 3.559 1.00 0.00 N ATOM 218 CA ARG A 18 -7.138 -5.928 2.174 1.00 0.00 C ATOM 219 C ARG A 18 -5.739 -5.927 1.566 1.00 0.00 C ATOM 220 O ARG A 18 -4.738 -5.951 2.283 1.00 0.00 O ATOM 221 CB ARG A 18 -7.743 -4.526 2.091 1.00 0.00 C ATOM 222 CG ARG A 18 -9.257 -4.523 1.951 1.00 0.00 C ATOM 223 CD ARG A 18 -9.690 -5.026 0.583 1.00 0.00 C ATOM 224 NE ARG A 18 -11.143 -5.117 0.468 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.771 -5.493 -0.640 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.076 -5.812 -1.724 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.096 -5.551 -0.667 1.00 0.00 N ATOM 0 H ARG A 18 -6.825 -5.668 4.231 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.761 -6.619 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.468 -3.967 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.307 -4.001 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.697 -5.150 2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.636 -3.513 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.307 -4.357 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.250 -6.006 0.401 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.707 -4.879 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.057 -5.769 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.561 -6.101 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.634 -5.307 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.577 -5.840 -1.519 1.00 0.00 H new ATOM 241 N LYS A 19 -5.676 -5.899 0.239 1.00 0.00 N ATOM 242 CA LYS A 19 -4.400 -5.894 -0.467 1.00 0.00 C ATOM 243 C LYS A 19 -4.350 -4.765 -1.492 1.00 0.00 C ATOM 244 O LYS A 19 -5.332 -4.498 -2.183 1.00 0.00 O ATOM 245 CB LYS A 19 -4.172 -7.238 -1.161 1.00 0.00 C ATOM 246 CG LYS A 19 -3.940 -8.389 -0.198 1.00 0.00 C ATOM 247 CD LYS A 19 -2.470 -8.524 0.165 1.00 0.00 C ATOM 248 CE LYS A 19 -2.137 -9.935 0.625 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.898 -10.315 1.847 1.00 0.00 N ATOM 0 H LYS A 19 -6.494 -5.879 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.609 -5.732 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.036 -7.466 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.312 -7.153 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.526 -8.231 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.292 -9.318 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.856 -8.267 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.222 -7.815 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.361 -10.640 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.068 -10.009 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.618 -11.270 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.692 -9.638 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.917 -10.303 1.639 1.00 0.00 H new ATOM 263 N ALA A 20 -3.199 -4.107 -1.585 1.00 0.00 N ATOM 264 CA ALA A 20 -3.021 -3.010 -2.528 1.00 0.00 C ATOM 265 C ALA A 20 -1.585 -2.953 -3.039 1.00 0.00 C ATOM 266 O ALA A 20 -0.663 -3.439 -2.382 1.00 0.00 O ATOM 267 CB ALA A 20 -3.405 -1.689 -1.880 1.00 0.00 C ATOM 0 H ALA A 20 -2.376 -4.315 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.676 -3.187 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.267 -0.879 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.449 -1.726 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.774 -1.514 -1.008 1.00 0.00 H new ATOM 273 N ARG A 21 -1.403 -2.358 -4.213 1.00 0.00 N ATOM 274 CA ARG A 21 -0.079 -2.240 -4.812 1.00 0.00 C ATOM 275 C ARG A 21 0.454 -0.816 -4.676 1.00 0.00 C ATOM 276 O ARG A 21 -0.256 0.152 -4.947 1.00 0.00 O ATOM 277 CB ARG A 21 -0.126 -2.640 -6.288 1.00 0.00 C ATOM 278 CG ARG A 21 1.044 -2.108 -7.100 1.00 0.00 C ATOM 279 CD ARG A 21 0.824 -2.311 -8.591 1.00 0.00 C ATOM 280 NE ARG A 21 0.453 -3.688 -8.908 1.00 0.00 N ATOM 281 CZ ARG A 21 0.438 -4.179 -10.141 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.770 -3.411 -11.169 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.089 -5.443 -10.349 1.00 0.00 N ATOM 0 H ARG A 21 -2.155 -1.950 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 21 0.594 -2.914 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.143 -3.727 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.056 -2.276 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.180 -1.047 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.960 -2.613 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.041 -1.636 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.734 -2.047 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 21 0.191 -4.306 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.038 -2.439 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.757 -3.792 -12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.168 -6.037 -9.561 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.078 -5.820 -11.297 1.00 0.00 H new ATOM 297 N VAL A 22 1.709 -0.697 -4.255 1.00 0.00 N ATOM 298 CA VAL A 22 2.338 0.607 -4.083 1.00 0.00 C ATOM 299 C VAL A 22 2.698 1.224 -5.430 1.00 0.00 C ATOM 300 O VAL A 22 3.367 0.598 -6.254 1.00 0.00 O ATOM 301 CB VAL A 22 3.609 0.509 -3.219 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.315 1.855 -3.152 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.266 0.007 -1.824 1.00 0.00 C ATOM 0 H VAL A 22 2.311 -1.488 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 22 1.613 1.244 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 22 4.288 -0.207 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.211 1.766 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.595 2.170 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.646 2.595 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.175 -0.056 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.568 0.697 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.809 -0.980 -1.895 1.00 0.00 H new ATOM 313 N LEU A 23 2.253 2.457 -5.648 1.00 0.00 N ATOM 314 CA LEU A 23 2.529 3.160 -6.896 1.00 0.00 C ATOM 315 C LEU A 23 3.870 3.883 -6.828 1.00 0.00 C ATOM 316 O LEU A 23 4.526 4.093 -7.848 1.00 0.00 O ATOM 317 CB LEU A 23 1.412 4.161 -7.198 1.00 0.00 C ATOM 318 CG LEU A 23 -0.017 3.647 -7.017 1.00 0.00 C ATOM 319 CD1 LEU A 23 -1.023 4.718 -7.409 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.236 2.383 -7.835 1.00 0.00 C ATOM 0 H LEU A 23 1.700 2.990 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 23 2.575 2.423 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.548 5.031 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.526 4.503 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.165 3.406 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.034 4.334 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.882 5.597 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.875 4.991 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.258 2.031 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.069 2.599 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.461 1.612 -7.507 1.00 0.00 H new ATOM 332 N TYR A 24 4.273 4.259 -5.619 1.00 0.00 N ATOM 333 CA TYR A 24 5.536 4.959 -5.418 1.00 0.00 C ATOM 334 C TYR A 24 6.121 4.642 -4.045 1.00 0.00 C ATOM 335 O TYR A 24 5.390 4.353 -3.097 1.00 0.00 O ATOM 336 CB TYR A 24 5.337 6.468 -5.564 1.00 0.00 C ATOM 337 CG TYR A 24 4.341 6.846 -6.637 1.00 0.00 C ATOM 338 CD1 TYR A 24 2.982 6.919 -6.357 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.760 7.132 -7.931 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.069 7.263 -7.335 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.854 7.479 -8.915 1.00 0.00 C ATOM 342 CZ TYR A 24 2.510 7.542 -8.612 1.00 0.00 C ATOM 343 OH TYR A 24 1.604 7.887 -9.588 1.00 0.00 O ATOM 0 H TYR A 24 3.743 4.091 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 24 6.237 4.617 -6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.003 6.876 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.297 6.932 -5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.634 6.703 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.812 7.082 -8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.016 7.313 -7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.196 7.700 -9.915 1.00 0.00 H new ATOM 0 HH TYR A 24 2.077 8.053 -10.430 1.00 0.00 H new ATOM 353 N ASP A 25 7.445 4.699 -3.946 1.00 0.00 N ATOM 354 CA ASP A 25 8.130 4.421 -2.689 1.00 0.00 C ATOM 355 C ASP A 25 7.891 5.539 -1.680 1.00 0.00 C ATOM 356 O ASP A 25 8.220 6.698 -1.933 1.00 0.00 O ATOM 357 CB ASP A 25 9.631 4.247 -2.929 1.00 0.00 C ATOM 358 CG ASP A 25 10.192 5.297 -3.867 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.486 6.416 -3.397 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.339 4.999 -5.071 1.00 0.00 O ATOM 0 H ASP A 25 8.065 4.935 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 25 7.725 3.495 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.157 4.297 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.817 3.256 -3.344 1.00 0.00 H new ATOM 365 N TYR A 26 7.315 5.184 -0.537 1.00 0.00 N ATOM 366 CA TYR A 26 7.028 6.158 0.510 1.00 0.00 C ATOM 367 C TYR A 26 8.025 6.034 1.658 1.00 0.00 C ATOM 368 O TYR A 26 8.612 4.974 1.873 1.00 0.00 O ATOM 369 CB TYR A 26 5.603 5.970 1.034 1.00 0.00 C ATOM 370 CG TYR A 26 5.268 6.859 2.210 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.016 8.214 2.033 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.204 6.344 3.499 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.710 9.030 3.105 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.897 7.152 4.577 1.00 0.00 C ATOM 375 CZ TYR A 26 4.652 8.495 4.374 1.00 0.00 C ATOM 376 OH TYR A 26 4.347 9.304 5.445 1.00 0.00 O ATOM 0 H TYR A 26 7.037 4.229 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 26 7.121 7.155 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.899 6.169 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.467 4.929 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.060 8.637 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.398 5.294 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.517 10.081 2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.849 6.735 5.572 1.00 0.00 H new ATOM 0 HH TYR A 26 4.576 8.843 6.279 1.00 0.00 H new ATOM 386 N ASP A 27 8.210 7.126 2.392 1.00 0.00 N ATOM 387 CA ASP A 27 9.133 7.141 3.520 1.00 0.00 C ATOM 388 C ASP A 27 8.404 7.484 4.815 1.00 0.00 C ATOM 389 O ASP A 27 7.962 8.616 5.009 1.00 0.00 O ATOM 390 CB ASP A 27 10.258 8.147 3.272 1.00 0.00 C ATOM 391 CG ASP A 27 11.382 8.020 4.283 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.873 6.891 4.484 1.00 0.00 O ATOM 393 OD2 ASP A 27 11.768 9.051 4.873 1.00 0.00 O ATOM 0 H ASP A 27 7.733 8.012 2.226 1.00 0.00 H new ATOM 0 HA ASP A 27 9.562 6.144 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.658 8.001 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.852 9.158 3.309 1.00 0.00 H new ATOM 398 N ALA A 28 8.281 6.499 5.699 1.00 0.00 N ATOM 399 CA ALA A 28 7.607 6.696 6.975 1.00 0.00 C ATOM 400 C ALA A 28 8.346 7.716 7.835 1.00 0.00 C ATOM 401 O ALA A 28 9.570 7.670 7.953 1.00 0.00 O ATOM 402 CB ALA A 28 7.479 5.373 7.715 1.00 0.00 C ATOM 0 H ALA A 28 8.640 5.555 5.554 1.00 0.00 H new ATOM 0 HA ALA A 28 6.609 7.085 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.973 5.536 8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.900 4.673 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.471 4.961 7.897 1.00 0.00 H new ATOM 408 N ALA A 29 7.595 8.635 8.433 1.00 0.00 N ATOM 409 CA ALA A 29 8.180 9.665 9.282 1.00 0.00 C ATOM 410 C ALA A 29 8.550 9.103 10.651 1.00 0.00 C ATOM 411 O ALA A 29 9.525 9.531 11.266 1.00 0.00 O ATOM 412 CB ALA A 29 7.219 10.834 9.432 1.00 0.00 C ATOM 0 H ALA A 29 6.580 8.687 8.345 1.00 0.00 H new ATOM 0 HA ALA A 29 9.094 10.019 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.669 11.596 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.008 11.260 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.290 10.486 9.884 1.00 0.00 H new ATOM 418 N ASN A 30 7.763 8.141 11.123 1.00 0.00 N ATOM 419 CA ASN A 30 8.007 7.521 12.420 1.00 0.00 C ATOM 420 C ASN A 30 7.352 6.145 12.497 1.00 0.00 C ATOM 421 O ASN A 30 6.731 5.687 11.539 1.00 0.00 O ATOM 422 CB ASN A 30 7.477 8.414 13.543 1.00 0.00 C ATOM 423 CG ASN A 30 5.975 8.607 13.469 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.253 8.320 14.424 1.00 0.00 O ATOM 425 ND2 ASN A 30 5.497 9.095 12.331 1.00 0.00 N ATOM 0 H ASN A 30 6.951 7.774 10.626 1.00 0.00 H new ATOM 0 HA ASN A 30 9.083 7.399 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.737 7.975 14.506 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.968 9.386 13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.494 9.246 12.222 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.133 9.319 11.565 1.00 0.00 H new ATOM 432 N SER A 31 7.495 5.491 13.646 1.00 0.00 N ATOM 433 CA SER A 31 6.920 4.167 13.848 1.00 0.00 C ATOM 434 C SER A 31 5.471 4.125 13.373 1.00 0.00 C ATOM 435 O SER A 31 5.091 3.269 12.574 1.00 0.00 O ATOM 436 CB SER A 31 6.997 3.774 15.325 1.00 0.00 C ATOM 437 OG SER A 31 6.943 2.367 15.482 1.00 0.00 O ATOM 0 H SER A 31 8.004 5.857 14.451 1.00 0.00 H new ATOM 0 HA SER A 31 7.497 3.454 13.259 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.921 4.156 15.758 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.174 4.236 15.871 1.00 0.00 H new ATOM 0 HG SER A 31 6.996 2.142 16.434 1.00 0.00 H new ATOM 443 N THR A 32 4.665 5.057 13.871 1.00 0.00 N ATOM 444 CA THR A 32 3.257 5.128 13.500 1.00 0.00 C ATOM 445 C THR A 32 3.075 4.950 11.997 1.00 0.00 C ATOM 446 O THR A 32 2.049 4.445 11.543 1.00 0.00 O ATOM 447 CB THR A 32 2.630 6.469 13.927 1.00 0.00 C ATOM 448 OG1 THR A 32 3.212 7.542 13.178 1.00 0.00 O ATOM 449 CG2 THR A 32 2.834 6.712 15.415 1.00 0.00 C ATOM 0 H THR A 32 4.963 5.774 14.533 1.00 0.00 H new ATOM 0 HA THR A 32 2.751 4.316 14.023 1.00 0.00 H new ATOM 0 HB THR A 32 1.560 6.425 13.726 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.744 8.108 13.776 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.383 7.665 15.693 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.364 5.909 15.983 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.901 6.737 15.637 1.00 0.00 H new ATOM 457 N GLU A 33 4.077 5.369 11.231 1.00 0.00 N ATOM 458 CA GLU A 33 4.026 5.255 9.778 1.00 0.00 C ATOM 459 C GLU A 33 4.986 4.177 9.282 1.00 0.00 C ATOM 460 O GLU A 33 6.043 3.953 9.872 1.00 0.00 O ATOM 461 CB GLU A 33 4.369 6.597 9.127 1.00 0.00 C ATOM 462 CG GLU A 33 3.362 7.695 9.429 1.00 0.00 C ATOM 463 CD GLU A 33 3.967 9.082 9.336 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.375 9.478 8.224 1.00 0.00 O ATOM 465 OE2 GLU A 33 4.033 9.772 10.375 1.00 0.00 O ATOM 0 H GLU A 33 4.933 5.790 11.592 1.00 0.00 H new ATOM 0 HA GLU A 33 3.012 4.971 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.354 6.915 9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.434 6.462 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.527 7.619 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.956 7.546 10.430 1.00 0.00 H new ATOM 472 N LEU A 34 4.609 3.513 8.195 1.00 0.00 N ATOM 473 CA LEU A 34 5.435 2.457 7.619 1.00 0.00 C ATOM 474 C LEU A 34 5.948 2.859 6.240 1.00 0.00 C ATOM 475 O LEU A 34 5.281 3.589 5.507 1.00 0.00 O ATOM 476 CB LEU A 34 4.638 1.156 7.520 1.00 0.00 C ATOM 477 CG LEU A 34 4.745 0.210 8.717 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.966 -1.070 8.456 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.203 -0.103 9.020 1.00 0.00 C ATOM 0 H LEU A 34 3.737 3.687 7.695 1.00 0.00 H new ATOM 0 HA LEU A 34 6.292 2.301 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.587 1.407 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.965 0.620 6.629 1.00 0.00 H new ATOM 0 HG LEU A 34 4.312 0.704 9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.053 -1.731 9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.916 -0.829 8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.369 -1.568 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.260 -0.777 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.661 -0.577 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.733 0.821 9.251 1.00 0.00 H new ATOM 491 N SER A 35 7.137 2.376 5.893 1.00 0.00 N ATOM 492 CA SER A 35 7.741 2.686 4.603 1.00 0.00 C ATOM 493 C SER A 35 7.146 1.814 3.501 1.00 0.00 C ATOM 494 O SER A 35 6.748 0.674 3.743 1.00 0.00 O ATOM 495 CB SER A 35 9.257 2.487 4.664 1.00 0.00 C ATOM 496 OG SER A 35 9.923 3.365 3.774 1.00 0.00 O ATOM 0 H SER A 35 7.701 1.768 6.488 1.00 0.00 H new ATOM 0 HA SER A 35 7.528 3.730 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.609 2.660 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.502 1.455 4.413 1.00 0.00 H new ATOM 0 HG SER A 35 9.263 3.829 3.217 1.00 0.00 H new ATOM 502 N LEU A 36 7.089 2.359 2.291 1.00 0.00 N ATOM 503 CA LEU A 36 6.543 1.632 1.150 1.00 0.00 C ATOM 504 C LEU A 36 7.495 1.691 -0.040 1.00 0.00 C ATOM 505 O LEU A 36 8.186 2.690 -0.247 1.00 0.00 O ATOM 506 CB LEU A 36 5.182 2.208 0.757 1.00 0.00 C ATOM 507 CG LEU A 36 4.255 2.587 1.913 1.00 0.00 C ATOM 508 CD1 LEU A 36 3.018 3.303 1.392 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.863 1.351 2.709 1.00 0.00 C ATOM 0 H LEU A 36 7.414 3.301 2.074 1.00 0.00 H new ATOM 0 HA LEU A 36 6.419 0.589 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.348 3.095 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.669 1.479 0.130 1.00 0.00 H new ATOM 0 HG LEU A 36 4.791 3.266 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.370 3.565 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.317 4.210 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.480 2.648 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.203 1.639 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.346 0.647 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.759 0.880 3.114 1.00 0.00 H new ATOM 521 N LEU A 37 7.526 0.617 -0.821 1.00 0.00 N ATOM 522 CA LEU A 37 8.392 0.547 -1.993 1.00 0.00 C ATOM 523 C LEU A 37 7.571 0.559 -3.278 1.00 0.00 C ATOM 524 O LEU A 37 6.419 0.127 -3.294 1.00 0.00 O ATOM 525 CB LEU A 37 9.256 -0.714 -1.938 1.00 0.00 C ATOM 526 CG LEU A 37 10.488 -0.644 -1.035 1.00 0.00 C ATOM 527 CD1 LEU A 37 11.020 -2.040 -0.749 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.568 0.219 -1.671 1.00 0.00 C ATOM 0 H LEU A 37 6.961 -0.218 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 37 9.039 1.424 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.632 -1.543 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.585 -0.949 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 37 10.196 -0.187 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.897 -1.970 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.249 -2.628 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.296 -2.523 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.437 0.257 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.857 -0.209 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.184 1.228 -1.824 1.00 0.00 H new ATOM 540 N ALA A 38 8.173 1.054 -4.354 1.00 0.00 N ATOM 541 CA ALA A 38 7.500 1.118 -5.645 1.00 0.00 C ATOM 542 C ALA A 38 7.354 -0.270 -6.258 1.00 0.00 C ATOM 543 O ALA A 38 8.328 -1.014 -6.372 1.00 0.00 O ATOM 544 CB ALA A 38 8.258 2.038 -6.591 1.00 0.00 C ATOM 0 H ALA A 38 9.126 1.417 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 38 6.501 1.523 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.744 2.076 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.305 3.040 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.269 1.658 -6.736 1.00 0.00 H new ATOM 550 N ASP A 39 6.132 -0.613 -6.651 1.00 0.00 N ATOM 551 CA ASP A 39 5.859 -1.913 -7.252 1.00 0.00 C ATOM 552 C ASP A 39 5.860 -3.013 -6.195 1.00 0.00 C ATOM 553 O ASP A 39 6.425 -4.086 -6.402 1.00 0.00 O ATOM 554 CB ASP A 39 6.896 -2.227 -8.332 1.00 0.00 C ATOM 555 CG ASP A 39 7.289 -1.000 -9.131 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.526 -0.615 -10.041 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.360 -0.424 -8.846 1.00 0.00 O ATOM 0 H ASP A 39 5.315 -0.009 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 39 4.870 -1.873 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.784 -2.653 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.496 -2.984 -9.007 1.00 0.00 H new ATOM 562 N GLU A 40 5.223 -2.737 -5.061 1.00 0.00 N ATOM 563 CA GLU A 40 5.153 -3.702 -3.970 1.00 0.00 C ATOM 564 C GLU A 40 3.750 -3.745 -3.371 1.00 0.00 C ATOM 565 O GLU A 40 3.154 -2.707 -3.083 1.00 0.00 O ATOM 566 CB GLU A 40 6.172 -3.353 -2.884 1.00 0.00 C ATOM 567 CG GLU A 40 5.609 -2.476 -1.779 1.00 0.00 C ATOM 568 CD GLU A 40 6.541 -2.366 -0.588 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.541 -3.113 -0.546 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.271 -1.532 0.301 1.00 0.00 O ATOM 0 H GLU A 40 4.748 -1.854 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 40 5.387 -4.687 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.553 -4.275 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.020 -2.845 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.413 -1.480 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.652 -2.882 -1.450 1.00 0.00 H new ATOM 577 N VAL A 41 3.228 -4.954 -3.187 1.00 0.00 N ATOM 578 CA VAL A 41 1.896 -5.133 -2.622 1.00 0.00 C ATOM 579 C VAL A 41 1.970 -5.690 -1.205 1.00 0.00 C ATOM 580 O VAL A 41 2.552 -6.750 -0.974 1.00 0.00 O ATOM 581 CB VAL A 41 1.042 -6.078 -3.489 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.216 -6.495 -2.743 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.691 -5.415 -4.812 1.00 0.00 C ATOM 0 H VAL A 41 3.707 -5.823 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 41 1.427 -4.149 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 41 1.625 -6.974 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.807 -7.162 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.060 -7.012 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.804 -5.610 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.088 -6.097 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.127 -4.502 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.607 -5.171 -5.351 1.00 0.00 H new ATOM 593 N ILE A 42 1.378 -4.968 -0.260 1.00 0.00 N ATOM 594 CA ILE A 42 1.376 -5.391 1.135 1.00 0.00 C ATOM 595 C ILE A 42 -0.047 -5.508 1.672 1.00 0.00 C ATOM 596 O ILE A 42 -1.013 -5.193 0.976 1.00 0.00 O ATOM 597 CB ILE A 42 2.168 -4.411 2.021 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.536 -3.018 1.971 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.622 -4.355 1.579 1.00 0.00 C ATOM 600 CD1 ILE A 42 2.005 -2.101 3.078 1.00 0.00 C ATOM 0 H ILE A 42 0.894 -4.088 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 42 1.856 -6.369 1.169 1.00 0.00 H new ATOM 0 HB ILE A 42 2.135 -4.767 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.764 -2.559 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.452 -3.118 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.169 -3.658 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.066 -5.347 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.675 -4.019 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.516 -1.132 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.753 -2.538 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.085 -1.971 3.010 1.00 0.00 H new ATOM 612 N THR A 43 -0.169 -5.962 2.915 1.00 0.00 N ATOM 613 CA THR A 43 -1.473 -6.120 3.547 1.00 0.00 C ATOM 614 C THR A 43 -1.928 -4.821 4.203 1.00 0.00 C ATOM 615 O THR A 43 -1.241 -4.278 5.068 1.00 0.00 O ATOM 616 CB THR A 43 -1.452 -7.237 4.607 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.161 -8.495 3.987 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.787 -7.320 5.332 1.00 0.00 C ATOM 0 H THR A 43 0.620 -6.227 3.505 1.00 0.00 H new ATOM 0 HA THR A 43 -2.175 -6.391 2.758 1.00 0.00 H new ATOM 0 HB THR A 43 -0.675 -7.003 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.148 -9.200 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.748 -8.116 6.076 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.992 -6.371 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.579 -7.533 4.614 1.00 0.00 H new ATOM 626 N VAL A 44 -3.089 -4.328 3.785 1.00 0.00 N ATOM 627 CA VAL A 44 -3.637 -3.093 4.334 1.00 0.00 C ATOM 628 C VAL A 44 -5.023 -3.321 4.926 1.00 0.00 C ATOM 629 O VAL A 44 -5.805 -4.121 4.411 1.00 0.00 O ATOM 630 CB VAL A 44 -3.724 -1.992 3.261 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.332 -1.543 2.842 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.519 -2.481 2.060 1.00 0.00 C ATOM 0 H VAL A 44 -3.669 -4.765 3.068 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.958 -2.769 5.122 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.243 -1.134 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.414 -0.765 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.800 -1.150 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.784 -2.392 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.571 -1.690 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.029 -3.355 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.528 -2.748 2.376 1.00 0.00 H new ATOM 642 N PHE A 45 -5.322 -2.613 6.010 1.00 0.00 N ATOM 643 CA PHE A 45 -6.615 -2.739 6.673 1.00 0.00 C ATOM 644 C PHE A 45 -6.984 -1.446 7.395 1.00 0.00 C ATOM 645 O PHE A 45 -6.122 -0.767 7.953 1.00 0.00 O ATOM 646 CB PHE A 45 -6.591 -3.902 7.666 1.00 0.00 C ATOM 647 CG PHE A 45 -5.333 -3.968 8.483 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.111 -4.213 7.879 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.373 -3.784 9.856 1.00 0.00 C ATOM 650 CE1 PHE A 45 -2.951 -4.274 8.628 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.216 -3.842 10.610 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.004 -4.089 9.996 1.00 0.00 C ATOM 0 H PHE A 45 -4.687 -1.946 6.448 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.369 -2.937 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.446 -3.814 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.709 -4.838 7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.064 -4.358 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.318 -3.593 10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.005 -4.466 8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.260 -3.694 11.679 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.099 -4.137 10.584 1.00 0.00 H new ATOM 662 N SER A 46 -8.270 -1.113 7.378 1.00 0.00 N ATOM 663 CA SER A 46 -8.754 0.100 8.027 1.00 0.00 C ATOM 664 C SER A 46 -9.036 -0.150 9.505 1.00 0.00 C ATOM 665 O SER A 46 -9.580 -1.190 9.878 1.00 0.00 O ATOM 666 CB SER A 46 -10.020 0.605 7.332 1.00 0.00 C ATOM 667 OG SER A 46 -11.066 -0.346 7.425 1.00 0.00 O ATOM 0 H SER A 46 -8.996 -1.666 6.922 1.00 0.00 H new ATOM 0 HA SER A 46 -7.977 0.860 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.337 1.545 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.805 0.813 6.284 1.00 0.00 H new ATOM 0 HG SER A 46 -11.864 0.001 6.975 1.00 0.00 H new ATOM 673 N VAL A 47 -8.662 0.811 10.344 1.00 0.00 N ATOM 674 CA VAL A 47 -8.875 0.697 11.781 1.00 0.00 C ATOM 675 C VAL A 47 -9.791 1.805 12.291 1.00 0.00 C ATOM 676 O VAL A 47 -9.716 2.946 11.834 1.00 0.00 O ATOM 677 CB VAL A 47 -7.543 0.752 12.552 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.760 0.411 14.019 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.525 -0.187 11.923 1.00 0.00 C ATOM 0 H VAL A 47 -8.210 1.678 10.052 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.347 -0.270 11.955 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.151 1.768 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.808 0.455 14.547 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.453 1.127 14.460 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.175 -0.594 14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.590 -0.136 12.480 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.907 -1.208 11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.348 0.108 10.889 1.00 0.00 H new ATOM 689 N VAL A 48 -10.655 1.461 13.240 1.00 0.00 N ATOM 690 CA VAL A 48 -11.584 2.427 13.814 1.00 0.00 C ATOM 691 C VAL A 48 -10.892 3.756 14.096 1.00 0.00 C ATOM 692 O VAL A 48 -9.858 3.800 14.762 1.00 0.00 O ATOM 693 CB VAL A 48 -12.209 1.898 15.119 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.815 3.039 15.922 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.253 0.834 14.817 1.00 0.00 C ATOM 0 H VAL A 48 -10.731 0.521 13.628 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.374 2.582 13.079 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.422 1.441 15.719 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.252 2.646 16.840 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.038 3.762 16.170 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.590 3.528 15.332 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.684 0.472 15.750 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.040 1.262 14.196 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.784 0.004 14.288 1.00 0.00 H new ATOM 705 N GLY A 49 -11.470 4.839 13.586 1.00 0.00 N ATOM 706 CA GLY A 49 -10.896 6.155 13.794 1.00 0.00 C ATOM 707 C GLY A 49 -9.883 6.520 12.727 1.00 0.00 C ATOM 708 O GLY A 49 -9.771 7.683 12.341 1.00 0.00 O ATOM 0 H GLY A 49 -12.326 4.828 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.693 6.898 13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.417 6.189 14.772 1.00 0.00 H new ATOM 712 N MET A 50 -9.142 5.525 12.251 1.00 0.00 N ATOM 713 CA MET A 50 -8.132 5.749 11.222 1.00 0.00 C ATOM 714 C MET A 50 -8.661 6.680 10.135 1.00 0.00 C ATOM 715 O MET A 50 -9.852 6.671 9.823 1.00 0.00 O ATOM 716 CB MET A 50 -7.700 4.418 10.604 1.00 0.00 C ATOM 717 CG MET A 50 -6.633 4.565 9.531 1.00 0.00 C ATOM 718 SD MET A 50 -5.014 4.973 10.211 1.00 0.00 S ATOM 719 CE MET A 50 -4.147 3.424 9.972 1.00 0.00 C ATOM 0 H MET A 50 -9.221 4.556 12.561 1.00 0.00 H new ATOM 0 HA MET A 50 -7.269 6.221 11.691 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.324 3.766 11.392 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.572 3.927 10.173 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.561 3.636 8.966 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.934 5.343 8.829 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.817 3.039 10.937 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.815 2.702 9.502 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.281 3.587 9.331 1.00 0.00 H new ATOM 729 N ASP A 51 -7.769 7.480 9.563 1.00 0.00 N ATOM 730 CA ASP A 51 -8.146 8.416 8.510 1.00 0.00 C ATOM 731 C ASP A 51 -8.366 7.687 7.188 1.00 0.00 C ATOM 732 O ASP A 51 -7.725 6.673 6.913 1.00 0.00 O ATOM 733 CB ASP A 51 -7.069 9.489 8.342 1.00 0.00 C ATOM 734 CG ASP A 51 -6.306 9.749 9.626 1.00 0.00 C ATOM 735 OD1 ASP A 51 -6.883 10.370 10.543 1.00 0.00 O ATOM 736 OD2 ASP A 51 -5.132 9.333 9.714 1.00 0.00 O ATOM 0 H ASP A 51 -6.780 7.500 9.810 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.082 8.894 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.371 9.180 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.533 10.416 8.004 1.00 0.00 H new ATOM 741 N SER A 52 -9.277 8.211 6.374 1.00 0.00 N ATOM 742 CA SER A 52 -9.585 7.607 5.083 1.00 0.00 C ATOM 743 C SER A 52 -8.387 7.695 4.142 1.00 0.00 C ATOM 744 O SER A 52 -8.290 6.943 3.172 1.00 0.00 O ATOM 745 CB SER A 52 -10.796 8.296 4.450 1.00 0.00 C ATOM 746 OG SER A 52 -10.702 9.705 4.570 1.00 0.00 O ATOM 0 H SER A 52 -9.814 9.052 6.586 1.00 0.00 H new ATOM 0 HA SER A 52 -9.819 6.555 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.865 8.021 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.710 7.947 4.931 1.00 0.00 H new ATOM 0 HG SER A 52 -11.487 10.122 4.156 1.00 0.00 H new ATOM 752 N ASP A 53 -7.478 8.617 4.437 1.00 0.00 N ATOM 753 CA ASP A 53 -6.285 8.803 3.620 1.00 0.00 C ATOM 754 C ASP A 53 -5.107 8.022 4.192 1.00 0.00 C ATOM 755 O ASP A 53 -3.957 8.247 3.812 1.00 0.00 O ATOM 756 CB ASP A 53 -5.931 10.289 3.527 1.00 0.00 C ATOM 757 CG ASP A 53 -7.112 11.139 3.102 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.426 11.156 1.893 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.721 11.788 3.977 1.00 0.00 O ATOM 0 H ASP A 53 -7.544 9.247 5.236 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.497 8.424 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.568 10.634 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.116 10.422 2.815 1.00 0.00 H new ATOM 764 N TRP A 54 -5.400 7.105 5.106 1.00 0.00 N ATOM 765 CA TRP A 54 -4.364 6.290 5.732 1.00 0.00 C ATOM 766 C TRP A 54 -4.922 4.940 6.168 1.00 0.00 C ATOM 767 O TRP A 54 -5.957 4.870 6.832 1.00 0.00 O ATOM 768 CB TRP A 54 -3.768 7.022 6.935 1.00 0.00 C ATOM 769 CG TRP A 54 -2.990 8.247 6.560 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.487 9.502 6.353 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.577 8.332 6.345 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.468 10.363 6.023 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.286 9.670 6.011 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.529 7.410 6.403 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.008 10.103 5.737 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.755 7.842 6.130 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.015 9.179 5.802 1.00 0.00 C ATOM 0 H TRP A 54 -6.346 6.906 5.431 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.579 6.117 4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.572 7.305 7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.116 6.339 7.480 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.528 9.777 6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.574 11.357 5.820 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.719 6.378 6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.210 11.133 5.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.572 7.137 6.170 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.030 9.486 5.597 1.00 0.00 H new ATOM 788 N LEU A 55 -4.231 3.870 5.791 1.00 0.00 N ATOM 789 CA LEU A 55 -4.658 2.520 6.144 1.00 0.00 C ATOM 790 C LEU A 55 -3.640 1.849 7.060 1.00 0.00 C ATOM 791 O LEU A 55 -2.587 2.414 7.353 1.00 0.00 O ATOM 792 CB LEU A 55 -4.857 1.680 4.881 1.00 0.00 C ATOM 793 CG LEU A 55 -6.220 1.805 4.199 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.143 1.318 2.760 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.275 1.027 4.972 1.00 0.00 C ATOM 0 H LEU A 55 -3.373 3.911 5.241 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.606 2.593 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.086 1.955 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.696 0.633 5.136 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.506 2.857 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.122 1.414 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.417 1.918 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.835 0.273 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.239 1.127 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.994 -0.025 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.349 1.422 5.985 1.00 0.00 H new ATOM 807 N MET A 56 -3.962 0.640 7.507 1.00 0.00 N ATOM 808 CA MET A 56 -3.073 -0.110 8.388 1.00 0.00 C ATOM 809 C MET A 56 -2.227 -1.100 7.592 1.00 0.00 C ATOM 810 O MET A 56 -2.700 -2.172 7.215 1.00 0.00 O ATOM 811 CB MET A 56 -3.882 -0.853 9.452 1.00 0.00 C ATOM 812 CG MET A 56 -3.144 -1.020 10.771 1.00 0.00 C ATOM 813 SD MET A 56 -2.922 0.542 11.644 1.00 0.00 S ATOM 814 CE MET A 56 -1.281 0.319 12.326 1.00 0.00 C ATOM 0 H MET A 56 -4.831 0.159 7.274 1.00 0.00 H new ATOM 0 HA MET A 56 -2.406 0.599 8.879 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.812 -0.314 9.631 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.153 -1.837 9.069 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.696 -1.712 11.407 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.169 -1.469 10.583 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.872 1.288 12.613 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.336 -0.326 13.203 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.635 -0.140 11.578 1.00 0.00 H new ATOM 824 N GLY A 57 -0.975 -0.733 7.340 1.00 0.00 N ATOM 825 CA GLY A 57 -0.084 -1.599 6.590 1.00 0.00 C ATOM 826 C GLY A 57 0.679 -2.558 7.482 1.00 0.00 C ATOM 827 O GLY A 57 0.915 -2.269 8.655 1.00 0.00 O ATOM 0 H GLY A 57 -0.561 0.149 7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.663 -2.167 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.624 -0.989 6.029 1.00 0.00 H new ATOM 831 N GLU A 58 1.065 -3.702 6.926 1.00 0.00 N ATOM 832 CA GLU A 58 1.804 -4.707 7.682 1.00 0.00 C ATOM 833 C GLU A 58 2.882 -5.353 6.817 1.00 0.00 C ATOM 834 O GLU A 58 2.581 -6.101 5.887 1.00 0.00 O ATOM 835 CB GLU A 58 0.851 -5.779 8.215 1.00 0.00 C ATOM 836 CG GLU A 58 1.499 -6.729 9.208 1.00 0.00 C ATOM 837 CD GLU A 58 0.524 -7.751 9.758 1.00 0.00 C ATOM 838 OE1 GLU A 58 0.344 -8.807 9.116 1.00 0.00 O ATOM 839 OE2 GLU A 58 -0.060 -7.495 10.833 1.00 0.00 O ATOM 0 H GLU A 58 0.879 -3.956 5.956 1.00 0.00 H new ATOM 0 HA GLU A 58 2.287 -4.210 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.000 -5.292 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.459 -6.355 7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.327 -7.246 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.921 -6.154 10.033 1.00 0.00 H new ATOM 846 N ARG A 59 4.140 -5.058 7.131 1.00 0.00 N ATOM 847 CA ARG A 59 5.263 -5.608 6.382 1.00 0.00 C ATOM 848 C ARG A 59 6.107 -6.525 7.264 1.00 0.00 C ATOM 849 O ARG A 59 6.843 -6.061 8.134 1.00 0.00 O ATOM 850 CB ARG A 59 6.132 -4.480 5.822 1.00 0.00 C ATOM 851 CG ARG A 59 6.874 -4.857 4.550 1.00 0.00 C ATOM 852 CD ARG A 59 7.456 -3.633 3.861 1.00 0.00 C ATOM 853 NE ARG A 59 8.579 -3.068 4.605 1.00 0.00 N ATOM 854 CZ ARG A 59 9.143 -1.903 4.310 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.691 -1.181 3.294 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.162 -1.456 5.034 1.00 0.00 N ATOM 0 H ARG A 59 4.406 -4.441 7.899 1.00 0.00 H new ATOM 0 HA ARG A 59 4.863 -6.194 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.502 -3.613 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.856 -4.180 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.675 -5.557 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.194 -5.370 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.785 -3.904 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.679 -2.877 3.748 1.00 0.00 H new ATOM 0 HE ARG A 59 8.950 -3.597 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.907 -1.520 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.127 -0.286 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.512 -2.008 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.595 -0.561 4.807 1.00 0.00 H new ATOM 870 N GLY A 60 5.994 -7.829 7.031 1.00 0.00 N ATOM 871 CA GLY A 60 6.752 -8.790 7.812 1.00 0.00 C ATOM 872 C GLY A 60 6.324 -8.821 9.266 1.00 0.00 C ATOM 873 O GLY A 60 5.295 -9.406 9.605 1.00 0.00 O ATOM 0 H GLY A 60 5.392 -8.237 6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.630 -9.783 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.813 -8.545 7.754 1.00 0.00 H new ATOM 877 N ASN A 61 7.116 -8.192 10.128 1.00 0.00 N ATOM 878 CA ASN A 61 6.814 -8.153 11.555 1.00 0.00 C ATOM 879 C ASN A 61 6.676 -6.713 12.042 1.00 0.00 C ATOM 880 O ASN A 61 7.071 -6.387 13.161 1.00 0.00 O ATOM 881 CB ASN A 61 7.908 -8.869 12.349 1.00 0.00 C ATOM 882 CG ASN A 61 7.644 -10.356 12.485 1.00 0.00 C ATOM 883 OD1 ASN A 61 6.757 -10.775 13.229 1.00 0.00 O ATOM 884 ND2 ASN A 61 8.415 -11.162 11.765 1.00 0.00 N ATOM 0 H ASN A 61 7.971 -7.703 9.864 1.00 0.00 H new ATOM 0 HA ASN A 61 5.865 -8.665 11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.869 -8.717 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.984 -8.424 13.341 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.284 -12.172 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.138 -10.771 11.161 1.00 0.00 H new ATOM 891 N GLN A 62 6.113 -5.859 11.194 1.00 0.00 N ATOM 892 CA GLN A 62 5.923 -4.455 11.538 1.00 0.00 C ATOM 893 C GLN A 62 4.514 -3.993 11.185 1.00 0.00 C ATOM 894 O GLN A 62 3.800 -4.660 10.435 1.00 0.00 O ATOM 895 CB GLN A 62 6.954 -3.586 10.814 1.00 0.00 C ATOM 896 CG GLN A 62 8.275 -3.464 11.556 1.00 0.00 C ATOM 897 CD GLN A 62 9.085 -2.262 11.111 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.185 -1.266 11.829 1.00 0.00 O ATOM 899 NE2 GLN A 62 9.668 -2.348 9.922 1.00 0.00 N ATOM 0 H GLN A 62 5.781 -6.114 10.264 1.00 0.00 H new ATOM 0 HA GLN A 62 6.061 -4.350 12.614 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.140 -4.005 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.537 -2.590 10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.081 -3.391 12.626 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.860 -4.370 11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.559 -3.192 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.226 -1.570 9.570 1.00 0.00 H new ATOM 908 N LYS A 63 4.117 -2.848 11.729 1.00 0.00 N ATOM 909 CA LYS A 63 2.793 -2.295 11.471 1.00 0.00 C ATOM 910 C LYS A 63 2.807 -0.774 11.581 1.00 0.00 C ATOM 911 O LYS A 63 3.558 -0.206 12.373 1.00 0.00 O ATOM 912 CB LYS A 63 1.774 -2.878 12.454 1.00 0.00 C ATOM 913 CG LYS A 63 1.363 -4.304 12.129 1.00 0.00 C ATOM 914 CD LYS A 63 -0.054 -4.595 12.593 1.00 0.00 C ATOM 915 CE LYS A 63 -0.157 -4.586 14.110 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.233 -5.492 14.598 1.00 0.00 N ATOM 0 H LYS A 63 4.694 -2.284 12.353 1.00 0.00 H new ATOM 0 HA LYS A 63 2.506 -2.566 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.194 -2.850 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.886 -2.246 12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.436 -4.469 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.053 -5.000 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.734 -3.852 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.371 -5.566 12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.797 -4.890 14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.353 -3.571 14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.271 -5.458 15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.147 -5.187 14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.033 -6.465 14.291 1.00 0.00 H new ATOM 930 N GLY A 64 1.972 -0.119 10.780 1.00 0.00 N ATOM 931 CA GLY A 64 1.904 1.330 10.804 1.00 0.00 C ATOM 932 C GLY A 64 0.835 1.876 9.878 1.00 0.00 C ATOM 933 O GLY A 64 -0.054 1.144 9.443 1.00 0.00 O ATOM 0 H GLY A 64 1.341 -0.566 10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.704 1.664 11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.872 1.741 10.518 1.00 0.00 H new ATOM 937 N LYS A 65 0.919 3.167 9.575 1.00 0.00 N ATOM 938 CA LYS A 65 -0.048 3.812 8.695 1.00 0.00 C ATOM 939 C LYS A 65 0.502 3.931 7.277 1.00 0.00 C ATOM 940 O LYS A 65 1.687 4.199 7.081 1.00 0.00 O ATOM 941 CB LYS A 65 -0.410 5.199 9.231 1.00 0.00 C ATOM 942 CG LYS A 65 -0.926 5.183 10.660 1.00 0.00 C ATOM 943 CD LYS A 65 -1.861 6.350 10.928 1.00 0.00 C ATOM 944 CE LYS A 65 -1.202 7.680 10.598 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.776 8.797 11.398 1.00 0.00 N ATOM 0 H LYS A 65 1.648 3.788 9.927 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.946 3.194 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.470 5.841 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.167 5.643 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.449 4.246 10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.085 5.223 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.768 6.235 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.163 6.342 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.131 7.611 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.325 7.893 9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.300 9.686 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.793 8.879 11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.636 8.607 12.411 1.00 0.00 H new ATOM 959 N VAL A 66 -0.368 3.732 6.292 1.00 0.00 N ATOM 960 CA VAL A 66 0.030 3.819 4.892 1.00 0.00 C ATOM 961 C VAL A 66 -0.890 4.755 4.116 1.00 0.00 C ATOM 962 O VAL A 66 -2.116 4.658 4.185 1.00 0.00 O ATOM 963 CB VAL A 66 0.022 2.434 4.218 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.123 1.555 4.791 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.338 1.772 4.379 1.00 0.00 C ATOM 0 H VAL A 66 -1.353 3.510 6.438 1.00 0.00 H new ATOM 0 HA VAL A 66 1.045 4.216 4.876 1.00 0.00 H new ATOM 0 HB VAL A 66 0.213 2.566 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.102 0.581 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.091 2.026 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.966 1.428 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.326 0.794 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.561 1.651 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.103 2.395 3.916 1.00 0.00 H new ATOM 975 N PRO A 67 -0.288 5.684 3.359 1.00 0.00 N ATOM 976 CA PRO A 67 -1.035 6.656 2.555 1.00 0.00 C ATOM 977 C PRO A 67 -1.740 6.006 1.369 1.00 0.00 C ATOM 978 O PRO A 67 -1.096 5.439 0.486 1.00 0.00 O ATOM 979 CB PRO A 67 0.048 7.622 2.069 1.00 0.00 C ATOM 980 CG PRO A 67 1.304 6.820 2.083 1.00 0.00 C ATOM 981 CD PRO A 67 1.168 5.858 3.230 1.00 0.00 C ATOM 0 HA PRO A 67 -1.827 7.137 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.173 7.994 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.126 8.491 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.438 6.288 1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.175 7.462 2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.669 4.912 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.607 6.258 4.144 1.00 0.00 H new ATOM 989 N ILE A 68 -3.066 6.093 1.355 1.00 0.00 N ATOM 990 CA ILE A 68 -3.858 5.514 0.277 1.00 0.00 C ATOM 991 C ILE A 68 -3.499 6.142 -1.066 1.00 0.00 C ATOM 992 O ILE A 68 -3.555 5.485 -2.106 1.00 0.00 O ATOM 993 CB ILE A 68 -5.367 5.694 0.527 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.863 4.665 1.545 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.139 5.570 -0.778 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.686 5.103 2.982 1.00 0.00 C ATOM 0 H ILE A 68 -3.614 6.559 2.078 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.627 4.449 0.252 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.537 6.691 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.919 4.465 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.329 3.727 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.204 5.700 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.801 6.337 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.966 4.585 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.059 4.325 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.629 5.276 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.243 6.024 3.153 1.00 0.00 H new ATOM 1008 N THR A 69 -3.127 7.418 -1.037 1.00 0.00 N ATOM 1009 CA THR A 69 -2.758 8.135 -2.251 1.00 0.00 C ATOM 1010 C THR A 69 -1.586 7.459 -2.953 1.00 0.00 C ATOM 1011 O THR A 69 -1.371 7.654 -4.150 1.00 0.00 O ATOM 1012 CB THR A 69 -2.385 9.598 -1.947 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.699 9.679 -0.693 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.626 10.477 -1.910 1.00 0.00 C ATOM 0 H THR A 69 -3.073 7.976 -0.185 1.00 0.00 H new ATOM 0 HA THR A 69 -3.629 8.118 -2.906 1.00 0.00 H new ATOM 0 HB THR A 69 -1.730 9.955 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.464 10.612 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.337 11.505 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.129 10.437 -2.876 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.302 10.119 -1.134 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.832 6.663 -2.203 1.00 0.00 N ATOM 1023 CA TYR A 70 0.319 5.959 -2.755 1.00 0.00 C ATOM 1024 C TYR A 70 -0.030 4.508 -3.072 1.00 0.00 C ATOM 1025 O TYR A 70 0.725 3.809 -3.749 1.00 0.00 O ATOM 1026 CB TYR A 70 1.492 6.010 -1.774 1.00 0.00 C ATOM 1027 CG TYR A 70 2.172 7.359 -1.714 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.500 8.477 -1.235 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.487 7.516 -2.134 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.117 9.712 -1.179 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.113 8.746 -2.080 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.424 9.841 -1.602 1.00 0.00 C ATOM 1033 OH TYR A 70 4.042 11.069 -1.546 1.00 0.00 O ATOM 0 H TYR A 70 -0.997 6.489 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 70 0.606 6.455 -3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.134 5.748 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.225 5.255 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.478 8.379 -0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.029 6.661 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.579 10.571 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.136 8.850 -2.410 1.00 0.00 H new ATOM 0 HH TYR A 70 4.960 10.989 -1.879 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.179 4.061 -2.577 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.631 2.693 -2.807 1.00 0.00 C ATOM 1045 C LEU A 71 -2.827 2.667 -3.754 1.00 0.00 C ATOM 1046 O LEU A 71 -3.607 3.617 -3.809 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.001 2.028 -1.481 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.024 2.247 -0.324 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.741 2.117 1.011 1.00 0.00 C ATOM 1050 CD2 LEU A 71 0.133 1.262 -0.409 1.00 0.00 C ATOM 0 H LEU A 71 -1.815 4.626 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.814 2.139 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.982 2.393 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.098 0.956 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.621 3.257 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.031 2.276 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.534 2.862 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.173 1.120 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.818 1.432 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.252 0.243 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.663 1.404 -1.351 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.965 1.572 -4.494 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.068 1.422 -5.437 1.00 0.00 C ATOM 1064 C GLU A 72 -4.821 0.118 -5.190 1.00 0.00 C ATOM 1065 O GLU A 72 -4.570 -0.892 -5.850 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.546 1.459 -6.875 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.546 0.944 -7.898 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.290 1.490 -9.289 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.369 0.987 -9.965 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -5.012 2.422 -9.702 1.00 0.00 O ATOM 0 H GLU A 72 -2.328 0.776 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.757 2.253 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.275 2.484 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.635 0.864 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.504 -0.145 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.554 1.216 -7.585 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.744 0.147 -4.236 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.535 -1.033 -3.901 1.00 0.00 C ATOM 1079 C LEU A 73 -6.990 -1.760 -5.162 1.00 0.00 C ATOM 1080 O LEU A 73 -7.811 -1.248 -5.925 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.750 -0.635 -3.061 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.460 0.201 -1.814 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.702 0.311 -0.944 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.306 -0.401 -1.026 1.00 0.00 C ATOM 0 H LEU A 73 -5.964 0.974 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.906 -1.709 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.438 -0.077 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.267 -1.544 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.174 1.204 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.476 0.909 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.502 0.788 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.019 -0.685 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.113 0.207 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.564 -1.415 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.413 -0.426 -1.651 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.454 -2.957 -5.374 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.806 -3.756 -6.542 1.00 0.00 C ATOM 1098 C LEU A 74 -8.161 -4.430 -6.352 1.00 0.00 C ATOM 1099 O LEU A 74 -8.355 -5.202 -5.414 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.731 -4.812 -6.805 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.282 -4.343 -6.670 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.368 -5.516 -6.355 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.829 -3.638 -7.941 1.00 0.00 C ATOM 0 H LEU A 74 -5.774 -3.395 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.870 -3.089 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.889 -5.642 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.873 -5.203 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.226 -3.633 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.341 -5.163 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.679 -5.978 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.428 -6.250 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.795 -3.311 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.901 -4.325 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.465 -2.772 -8.123 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.095 -4.135 -7.251 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.431 -4.714 -7.183 1.00 0.00 C ATOM 1117 C ASN A 75 -11.185 -4.201 -5.959 1.00 0.00 C ATOM 1118 O ASN A 75 -11.912 -4.949 -5.307 1.00 0.00 O ATOM 1119 CB ASN A 75 -10.347 -6.241 -7.141 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.689 -6.901 -7.391 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -12.115 -7.053 -8.536 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -12.363 -7.297 -6.317 1.00 0.00 N ATOM 0 H ASN A 75 -8.951 -3.498 -8.035 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.976 -4.412 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.632 -6.583 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.966 -6.555 -6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.272 -7.747 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.971 -7.151 -5.387 1.00 0.00 H new ATOM 1129 N SER A 76 -11.005 -2.920 -5.654 1.00 0.00 N ATOM 1130 CA SER A 76 -11.665 -2.307 -4.507 1.00 0.00 C ATOM 1131 C SER A 76 -13.064 -2.883 -4.314 1.00 0.00 C ATOM 1132 O SER A 76 -13.441 -3.271 -3.210 1.00 0.00 O ATOM 1133 CB SER A 76 -11.745 -0.790 -4.689 1.00 0.00 C ATOM 1134 OG SER A 76 -12.451 -0.185 -3.619 1.00 0.00 O ATOM 0 H SER A 76 -10.408 -2.286 -6.185 1.00 0.00 H new ATOM 0 HA SER A 76 -11.075 -2.528 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.739 -0.374 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.240 -0.559 -5.632 1.00 0.00 H new ATOM 0 HG SER A 76 -12.487 0.784 -3.758 1.00 0.00 H new ATOM 1140 N GLY A 77 -13.831 -2.934 -5.400 1.00 0.00 N ATOM 1141 CA GLY A 77 -15.181 -3.463 -5.330 1.00 0.00 C ATOM 1142 C GLY A 77 -15.874 -3.464 -6.678 1.00 0.00 C ATOM 1143 O GLY A 77 -15.593 -2.635 -7.544 1.00 0.00 O ATOM 0 H GLY A 77 -13.542 -2.619 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.149 -4.481 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.764 -2.870 -4.626 1.00 0.00 H new ATOM 1147 N PRO A 78 -16.801 -4.414 -6.871 1.00 0.00 N ATOM 1148 CA PRO A 78 -17.554 -4.543 -8.122 1.00 0.00 C ATOM 1149 C PRO A 78 -18.542 -3.399 -8.324 1.00 0.00 C ATOM 1150 O PRO A 78 -19.719 -3.515 -7.982 1.00 0.00 O ATOM 1151 CB PRO A 78 -18.299 -5.869 -7.952 1.00 0.00 C ATOM 1152 CG PRO A 78 -18.422 -6.049 -6.479 1.00 0.00 C ATOM 1153 CD PRO A 78 -17.186 -5.434 -5.882 1.00 0.00 C ATOM 0 HA PRO A 78 -16.902 -4.513 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.278 -5.837 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.749 -6.693 -8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -19.321 -5.563 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.497 -7.105 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.388 -4.992 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.398 -6.173 -5.740 1.00 0.00 H new ATOM 1161 N SER A 79 -18.056 -2.295 -8.882 1.00 0.00 N ATOM 1162 CA SER A 79 -18.897 -1.129 -9.127 1.00 0.00 C ATOM 1163 C SER A 79 -20.287 -1.549 -9.592 1.00 0.00 C ATOM 1164 O SER A 79 -20.477 -2.657 -10.094 1.00 0.00 O ATOM 1165 CB SER A 79 -18.250 -0.218 -10.173 1.00 0.00 C ATOM 1166 OG SER A 79 -18.037 -0.912 -11.390 1.00 0.00 O ATOM 0 H SER A 79 -17.085 -2.183 -9.173 1.00 0.00 H new ATOM 0 HA SER A 79 -18.997 -0.581 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.888 0.648 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.300 0.159 -9.794 1.00 0.00 H new ATOM 0 HG SER A 79 -17.624 -0.309 -12.043 1.00 0.00 H new ATOM 1172 N SER A 80 -21.257 -0.656 -9.421 1.00 0.00 N ATOM 1173 CA SER A 80 -22.632 -0.935 -9.819 1.00 0.00 C ATOM 1174 C SER A 80 -23.423 0.359 -9.982 1.00 0.00 C ATOM 1175 O SER A 80 -23.380 1.239 -9.123 1.00 0.00 O ATOM 1176 CB SER A 80 -23.312 -1.835 -8.786 1.00 0.00 C ATOM 1177 OG SER A 80 -23.380 -1.199 -7.521 1.00 0.00 O ATOM 0 H SER A 80 -21.116 0.267 -9.010 1.00 0.00 H new ATOM 0 HA SER A 80 -22.609 -1.450 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 80 -24.317 -2.087 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 80 -22.762 -2.772 -8.697 1.00 0.00 H new ATOM 0 HG SER A 80 -23.383 -0.227 -7.643 1.00 0.00 H new ATOM 1183 N GLY A 81 -24.147 0.468 -11.092 1.00 0.00 N ATOM 1184 CA GLY A 81 -24.938 1.657 -11.349 1.00 0.00 C ATOM 1185 C GLY A 81 -26.297 1.333 -11.936 1.00 0.00 C ATOM 1186 O GLY A 81 -27.324 1.775 -11.421 1.00 0.00 O ATOM 0 H GLY A 81 -24.200 -0.246 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -25.070 2.210 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -24.396 2.309 -12.034 1.00 0.00 H new TER 1190 GLY A 81