USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 Single : A 1 GLY N :NH3+ 135:sc= 0.00629 (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 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.794 K(o=-0.79,f=-3.2!) USER MOD Single : A 10 ASN : amide:sc= -0.0067 K(o=-0.0067,f=-1.8!) USER MOD Single : A 11 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.093) USER MOD Single : A 12 THR OG1 : rot 3:sc= 0.669 USER MOD Single : A 13 GLN : amide:sc= 0.118 K(o=0.12,f=-3.9!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.597 K(o=0.6,f=-3!) USER MOD Single : A 19 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.65) USER MOD Single : A 21 THR OG1 : rot 3:sc= 0.883 USER MOD Single : A 24 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.8!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -93:sc= 0.761 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -3.13 K(o=-3.1,f=-5.2!) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0.00461 (180deg=0.00303) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.000181 (180deg=-0.0843) USER MOD Single : A 45 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.17) USER MOD Single : A 50 THR OG1 : rot -80:sc= 0.939! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 GLN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 57 CYS SG : rot 113:sc= -0.355 USER MOD Single : A 62 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.37) USER MOD Single : A 64 CYS SG : rot 88:sc= -4.53 USER MOD Single : A 65 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.8!) USER MOD Single : A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.34) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.4) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -2.23! K(o=-2.2!,f=-1.5) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -111:sc= -1.13 (180deg=-3.83!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 42:sc= 0.0639 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.158 16.766 -24.308 1.00 0.00 N ATOM 2 CA GLY A 1 -43.203 15.833 -24.880 1.00 0.00 C ATOM 3 C GLY A 1 -41.807 16.050 -24.292 1.00 0.00 C ATOM 4 O GLY A 1 -41.358 17.186 -24.151 1.00 0.00 O ATOM 0 H1 GLY A 1 -44.747 17.168 -25.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 -44.764 16.268 -23.625 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.648 17.532 -23.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.528 14.810 -24.688 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -43.170 15.959 -25.962 1.00 0.00 H new ATOM 8 N SER A 2 -41.159 14.941 -23.966 1.00 0.00 N ATOM 9 CA SER A 2 -39.823 14.995 -23.397 1.00 0.00 C ATOM 10 C SER A 2 -38.805 14.443 -24.398 1.00 0.00 C ATOM 11 O SER A 2 -39.100 13.501 -25.132 1.00 0.00 O ATOM 12 CB SER A 2 -39.752 14.215 -22.083 1.00 0.00 C ATOM 13 OG SER A 2 -39.987 15.050 -20.953 1.00 0.00 O ATOM 0 H SER A 2 -41.534 14.000 -24.085 1.00 0.00 H new ATOM 0 HA SER A 2 -39.584 16.037 -23.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.488 13.411 -22.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.771 13.748 -21.991 1.00 0.00 H new ATOM 0 HG SER A 2 -39.935 14.514 -20.134 1.00 0.00 H new ATOM 19 N SER A 3 -37.629 15.052 -24.394 1.00 0.00 N ATOM 20 CA SER A 3 -36.566 14.634 -25.292 1.00 0.00 C ATOM 21 C SER A 3 -35.321 14.254 -24.489 1.00 0.00 C ATOM 22 O SER A 3 -35.256 14.500 -23.285 1.00 0.00 O ATOM 23 CB SER A 3 -36.232 15.735 -26.301 1.00 0.00 C ATOM 24 OG SER A 3 -37.370 16.122 -27.066 1.00 0.00 O ATOM 0 H SER A 3 -37.388 15.832 -23.783 1.00 0.00 H new ATOM 0 HA SER A 3 -36.911 13.762 -25.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.838 16.603 -25.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.446 15.386 -26.971 1.00 0.00 H new ATOM 0 HG SER A 3 -37.116 16.828 -27.697 1.00 0.00 H new ATOM 30 N GLY A 4 -34.364 13.660 -25.186 1.00 0.00 N ATOM 31 CA GLY A 4 -33.125 13.243 -24.553 1.00 0.00 C ATOM 32 C GLY A 4 -31.931 13.466 -25.483 1.00 0.00 C ATOM 33 O GLY A 4 -31.996 14.289 -26.396 1.00 0.00 O ATOM 0 H GLY A 4 -34.422 13.457 -26.184 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.979 13.801 -23.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.188 12.189 -24.282 1.00 0.00 H new ATOM 37 N SER A 5 -30.869 12.719 -25.221 1.00 0.00 N ATOM 38 CA SER A 5 -29.662 12.825 -26.023 1.00 0.00 C ATOM 39 C SER A 5 -28.649 11.765 -25.587 1.00 0.00 C ATOM 40 O SER A 5 -28.611 11.381 -24.420 1.00 0.00 O ATOM 41 CB SER A 5 -29.049 14.223 -25.914 1.00 0.00 C ATOM 42 OG SER A 5 -28.740 14.566 -24.566 1.00 0.00 O ATOM 0 H SER A 5 -30.819 12.037 -24.464 1.00 0.00 H new ATOM 0 HA SER A 5 -29.929 12.655 -27.066 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.142 14.269 -26.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.743 14.956 -26.325 1.00 0.00 H new ATOM 0 HG SER A 5 -28.349 15.464 -24.538 1.00 0.00 H new ATOM 48 N SER A 6 -27.853 11.322 -26.550 1.00 0.00 N ATOM 49 CA SER A 6 -26.842 10.314 -26.280 1.00 0.00 C ATOM 50 C SER A 6 -25.655 10.497 -27.228 1.00 0.00 C ATOM 51 O SER A 6 -25.741 11.245 -28.200 1.00 0.00 O ATOM 52 CB SER A 6 -27.419 8.904 -26.417 1.00 0.00 C ATOM 53 OG SER A 6 -28.425 8.642 -25.443 1.00 0.00 O ATOM 0 H SER A 6 -27.888 11.643 -27.518 1.00 0.00 H new ATOM 0 HA SER A 6 -26.501 10.439 -25.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.839 8.780 -27.415 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.617 8.173 -26.316 1.00 0.00 H new ATOM 0 HG SER A 6 -28.769 7.733 -25.565 1.00 0.00 H new ATOM 59 N GLY A 7 -24.573 9.799 -26.911 1.00 0.00 N ATOM 60 CA GLY A 7 -23.370 9.875 -27.723 1.00 0.00 C ATOM 61 C GLY A 7 -22.423 8.716 -27.407 1.00 0.00 C ATOM 62 O GLY A 7 -22.795 7.779 -26.702 1.00 0.00 O ATOM 0 H GLY A 7 -24.505 9.179 -26.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.638 9.853 -28.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.864 10.823 -27.542 1.00 0.00 H new ATOM 66 N ASN A 8 -21.216 8.818 -27.945 1.00 0.00 N ATOM 67 CA ASN A 8 -20.212 7.789 -27.730 1.00 0.00 C ATOM 68 C ASN A 8 -20.236 7.358 -26.262 1.00 0.00 C ATOM 69 O ASN A 8 -20.384 8.191 -25.369 1.00 0.00 O ATOM 70 CB ASN A 8 -18.810 8.314 -28.045 1.00 0.00 C ATOM 71 CG ASN A 8 -18.131 7.455 -29.114 1.00 0.00 C ATOM 72 OD1 ASN A 8 -17.710 6.336 -28.872 1.00 0.00 O ATOM 73 ND2 ASN A 8 -18.048 8.039 -30.306 1.00 0.00 N ATOM 0 H ASN A 8 -20.911 9.597 -28.529 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.441 6.952 -28.389 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.873 9.346 -28.389 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.206 8.316 -27.138 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.611 7.547 -31.086 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.421 8.979 -30.441 1.00 0.00 H new ATOM 80 N GLN A 9 -20.088 6.058 -26.058 1.00 0.00 N ATOM 81 CA GLN A 9 -20.091 5.506 -24.713 1.00 0.00 C ATOM 82 C GLN A 9 -19.839 3.998 -24.758 1.00 0.00 C ATOM 83 O GLN A 9 -19.872 3.391 -25.827 1.00 0.00 O ATOM 84 CB GLN A 9 -21.404 5.821 -23.994 1.00 0.00 C ATOM 85 CG GLN A 9 -21.208 6.926 -22.954 1.00 0.00 C ATOM 86 CD GLN A 9 -22.273 8.015 -23.103 1.00 0.00 C ATOM 87 OE1 GLN A 9 -23.029 8.053 -24.060 1.00 0.00 O ATOM 88 NE2 GLN A 9 -22.290 8.895 -22.107 1.00 0.00 N ATOM 0 H GLN A 9 -19.965 5.370 -26.801 1.00 0.00 H new ATOM 0 HA GLN A 9 -19.284 5.973 -24.148 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -22.156 6.130 -24.721 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.781 4.922 -23.508 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -21.256 6.500 -21.952 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.216 7.364 -23.066 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.629 8.805 -21.336 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -22.964 9.660 -22.114 1.00 0.00 H new ATOM 97 N ASN A 10 -19.592 3.436 -23.584 1.00 0.00 N ATOM 98 CA ASN A 10 -19.335 2.010 -23.475 1.00 0.00 C ATOM 99 C ASN A 10 -18.077 1.661 -24.274 1.00 0.00 C ATOM 100 O ASN A 10 -17.822 2.248 -25.325 1.00 0.00 O ATOM 101 CB ASN A 10 -20.498 1.195 -24.045 1.00 0.00 C ATOM 102 CG ASN A 10 -21.772 1.412 -23.226 1.00 0.00 C ATOM 103 OD1 ASN A 10 -22.387 2.465 -23.253 1.00 0.00 O ATOM 104 ND2 ASN A 10 -22.132 0.358 -22.499 1.00 0.00 N ATOM 0 H ASN A 10 -19.564 3.943 -22.699 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.210 1.770 -22.419 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -20.674 1.482 -25.082 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -20.238 0.136 -24.047 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -22.969 0.401 -21.918 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -21.571 -0.494 -22.523 1.00 0.00 H new ATOM 111 N GLN A 11 -17.324 0.708 -23.745 1.00 0.00 N ATOM 112 CA GLN A 11 -16.100 0.274 -24.395 1.00 0.00 C ATOM 113 C GLN A 11 -15.232 1.482 -24.754 1.00 0.00 C ATOM 114 O GLN A 11 -15.100 1.830 -25.927 1.00 0.00 O ATOM 115 CB GLN A 11 -16.406 -0.568 -25.635 1.00 0.00 C ATOM 116 CG GLN A 11 -15.915 -2.006 -25.456 1.00 0.00 C ATOM 117 CD GLN A 11 -16.671 -2.707 -24.325 1.00 0.00 C ATOM 118 OE1 GLN A 11 -17.871 -2.916 -24.383 1.00 0.00 O ATOM 119 NE2 GLN A 11 -15.903 -3.057 -23.297 1.00 0.00 N ATOM 0 H GLN A 11 -17.538 0.224 -22.873 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.545 -0.354 -23.698 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -17.480 -0.567 -25.824 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.929 -0.123 -26.508 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.050 -2.559 -26.386 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.847 -2.005 -25.238 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.904 -2.851 -23.313 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.313 -3.531 -22.492 1.00 0.00 H new ATOM 128 N THR A 12 -14.664 2.090 -23.723 1.00 0.00 N ATOM 129 CA THR A 12 -13.814 3.252 -23.914 1.00 0.00 C ATOM 130 C THR A 12 -12.760 3.330 -22.808 1.00 0.00 C ATOM 131 O THR A 12 -13.038 3.819 -21.714 1.00 0.00 O ATOM 132 CB THR A 12 -14.712 4.489 -23.986 1.00 0.00 C ATOM 133 OG1 THR A 12 -15.294 4.420 -25.285 1.00 0.00 O ATOM 134 CG2 THR A 12 -13.912 5.793 -24.005 1.00 0.00 C ATOM 0 H THR A 12 -14.776 1.799 -22.752 1.00 0.00 H new ATOM 0 HA THR A 12 -13.255 3.184 -24.848 1.00 0.00 H new ATOM 0 HB THR A 12 -15.393 4.493 -23.135 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.005 3.596 -25.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.597 6.639 -24.057 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.313 5.866 -23.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.255 5.804 -24.875 1.00 0.00 H new ATOM 142 N GLN A 13 -11.572 2.840 -23.131 1.00 0.00 N ATOM 143 CA GLN A 13 -10.475 2.848 -22.178 1.00 0.00 C ATOM 144 C GLN A 13 -10.195 4.275 -21.703 1.00 0.00 C ATOM 145 O GLN A 13 -10.009 5.179 -22.517 1.00 0.00 O ATOM 146 CB GLN A 13 -9.220 2.214 -22.781 1.00 0.00 C ATOM 147 CG GLN A 13 -9.301 0.687 -22.735 1.00 0.00 C ATOM 148 CD GLN A 13 -9.598 0.112 -24.122 1.00 0.00 C ATOM 149 OE1 GLN A 13 -10.345 0.672 -24.907 1.00 0.00 O ATOM 150 NE2 GLN A 13 -8.974 -1.034 -24.377 1.00 0.00 N ATOM 0 H GLN A 13 -11.345 2.435 -24.039 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.765 2.249 -21.315 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.101 2.545 -23.813 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.339 2.552 -22.235 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.361 0.280 -22.362 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.080 0.381 -22.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.362 -1.449 -23.674 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.107 -1.498 -25.275 1.00 0.00 H new ATOM 159 N HIS A 14 -10.173 4.434 -20.388 1.00 0.00 N ATOM 160 CA HIS A 14 -9.918 5.736 -19.795 1.00 0.00 C ATOM 161 C HIS A 14 -8.421 6.043 -19.855 1.00 0.00 C ATOM 162 O HIS A 14 -7.999 6.959 -20.559 1.00 0.00 O ATOM 163 CB HIS A 14 -10.482 5.806 -18.374 1.00 0.00 C ATOM 164 CG HIS A 14 -11.055 7.153 -18.007 1.00 0.00 C ATOM 165 ND1 HIS A 14 -12.224 7.647 -18.560 1.00 0.00 N ATOM 166 CD2 HIS A 14 -10.610 8.104 -17.136 1.00 0.00 C ATOM 167 CE1 HIS A 14 -12.461 8.842 -18.039 1.00 0.00 C ATOM 168 NE2 HIS A 14 -11.460 9.124 -17.157 1.00 0.00 N ATOM 0 H HIS A 14 -10.328 3.682 -19.716 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.434 6.507 -20.366 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.260 5.050 -18.265 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.691 5.554 -17.667 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.717 8.038 -16.532 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.300 9.481 -18.272 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.378 9.978 -16.605 1.00 0.00 H new ATOM 176 N LYS A 15 -7.658 5.259 -19.106 1.00 0.00 N ATOM 177 CA LYS A 15 -6.217 5.436 -19.065 1.00 0.00 C ATOM 178 C LYS A 15 -5.891 6.930 -19.032 1.00 0.00 C ATOM 179 O LYS A 15 -5.023 7.396 -19.768 1.00 0.00 O ATOM 180 CB LYS A 15 -5.552 4.687 -20.221 1.00 0.00 C ATOM 181 CG LYS A 15 -5.939 5.302 -21.568 1.00 0.00 C ATOM 182 CD LYS A 15 -5.325 4.514 -22.727 1.00 0.00 C ATOM 183 CE LYS A 15 -3.883 4.956 -22.987 1.00 0.00 C ATOM 184 NZ LYS A 15 -3.048 3.796 -23.373 1.00 0.00 N ATOM 0 H LYS A 15 -8.011 4.500 -18.523 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.806 5.000 -18.155 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.469 4.715 -20.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.848 3.638 -20.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.024 5.315 -21.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.602 6.338 -21.609 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.347 3.448 -22.499 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.922 4.660 -23.627 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.863 5.706 -23.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.473 5.425 -22.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.073 4.113 -23.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.053 3.094 -22.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.431 3.365 -24.239 1.00 0.00 H new ATOM 198 N GLN A 16 -6.605 7.640 -18.171 1.00 0.00 N ATOM 199 CA GLN A 16 -6.403 9.073 -18.033 1.00 0.00 C ATOM 200 C GLN A 16 -6.575 9.495 -16.572 1.00 0.00 C ATOM 201 O GLN A 16 -7.024 8.704 -15.743 1.00 0.00 O ATOM 202 CB GLN A 16 -7.353 9.851 -18.945 1.00 0.00 C ATOM 203 CG GLN A 16 -6.583 10.571 -20.054 1.00 0.00 C ATOM 204 CD GLN A 16 -6.234 12.001 -19.639 1.00 0.00 C ATOM 205 OE1 GLN A 16 -5.485 12.240 -18.706 1.00 0.00 O ATOM 206 NE2 GLN A 16 -6.817 12.937 -20.383 1.00 0.00 N ATOM 0 H GLN A 16 -7.324 7.250 -17.562 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.384 9.308 -18.341 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.079 9.168 -19.386 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.914 10.577 -18.357 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.670 10.022 -20.283 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.181 10.589 -20.965 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.434 12.668 -21.150 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.647 13.923 -20.187 1.00 0.00 H new ATOM 215 N ARG A 17 -6.210 10.739 -16.302 1.00 0.00 N ATOM 216 CA ARG A 17 -6.319 11.276 -14.956 1.00 0.00 C ATOM 217 C ARG A 17 -5.456 10.462 -13.989 1.00 0.00 C ATOM 218 O ARG A 17 -5.012 9.364 -14.321 1.00 0.00 O ATOM 219 CB ARG A 17 -7.770 11.258 -14.472 1.00 0.00 C ATOM 220 CG ARG A 17 -8.365 12.668 -14.470 1.00 0.00 C ATOM 221 CD ARG A 17 -9.893 12.619 -14.533 1.00 0.00 C ATOM 222 NE ARG A 17 -10.469 13.676 -13.672 1.00 0.00 N ATOM 223 CZ ARG A 17 -10.620 13.565 -12.345 1.00 0.00 C ATOM 224 NH1 ARG A 17 -10.239 12.443 -11.719 1.00 0.00 N ATOM 225 NH2 ARG A 17 -11.152 14.576 -11.644 1.00 0.00 N ATOM 0 H ARG A 17 -5.838 11.391 -16.992 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.969 12.308 -14.981 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.364 10.610 -15.116 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.817 10.838 -13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.051 13.197 -13.570 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.980 13.230 -15.321 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.227 12.754 -15.562 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.247 11.641 -14.208 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.770 14.543 -14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.834 11.674 -12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.354 12.358 -10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.442 15.430 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.267 14.491 -10.634 1.00 0.00 H new ATOM 239 N PRO A 18 -5.239 11.048 -12.781 1.00 0.00 N ATOM 240 CA PRO A 18 -4.437 10.390 -11.764 1.00 0.00 C ATOM 241 C PRO A 18 -5.214 9.246 -11.109 1.00 0.00 C ATOM 242 O PRO A 18 -6.313 8.907 -11.545 1.00 0.00 O ATOM 243 CB PRO A 18 -4.062 11.490 -10.785 1.00 0.00 C ATOM 244 CG PRO A 18 -5.046 12.622 -11.034 1.00 0.00 C ATOM 245 CD PRO A 18 -5.749 12.347 -12.354 1.00 0.00 C ATOM 0 HA PRO A 18 -3.544 9.918 -12.173 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.126 11.136 -9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.036 11.822 -10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.770 12.684 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.526 13.579 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.832 12.326 -12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.528 13.121 -13.089 1.00 0.00 H new ATOM 253 N GLN A 19 -4.612 8.682 -10.072 1.00 0.00 N ATOM 254 CA GLN A 19 -5.234 7.584 -9.352 1.00 0.00 C ATOM 255 C GLN A 19 -5.378 7.935 -7.869 1.00 0.00 C ATOM 256 O GLN A 19 -4.862 7.225 -7.007 1.00 0.00 O ATOM 257 CB GLN A 19 -4.439 6.289 -9.534 1.00 0.00 C ATOM 258 CG GLN A 19 -5.373 5.101 -9.770 1.00 0.00 C ATOM 259 CD GLN A 19 -4.730 4.075 -10.706 1.00 0.00 C ATOM 260 OE1 GLN A 19 -4.629 4.269 -11.906 1.00 0.00 O ATOM 261 NE2 GLN A 19 -4.302 2.976 -10.091 1.00 0.00 N ATOM 0 H GLN A 19 -3.700 8.965 -9.713 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.230 7.422 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.756 6.393 -10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.828 6.106 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.614 4.629 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.312 5.452 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.418 2.878 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.858 2.231 -10.628 1.00 0.00 H new ATOM 270 N ALA A 20 -6.082 9.029 -7.619 1.00 0.00 N ATOM 271 CA ALA A 20 -6.300 9.483 -6.256 1.00 0.00 C ATOM 272 C ALA A 20 -7.643 10.211 -6.174 1.00 0.00 C ATOM 273 O ALA A 20 -7.696 11.383 -5.805 1.00 0.00 O ATOM 274 CB ALA A 20 -5.130 10.366 -5.818 1.00 0.00 C ATOM 0 H ALA A 20 -6.509 9.614 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.342 8.636 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.294 10.706 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.204 9.793 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.057 11.229 -6.480 1.00 0.00 H new ATOM 280 N THR A 21 -8.696 9.487 -6.526 1.00 0.00 N ATOM 281 CA THR A 21 -10.035 10.050 -6.497 1.00 0.00 C ATOM 282 C THR A 21 -11.081 8.935 -6.441 1.00 0.00 C ATOM 283 O THR A 21 -11.721 8.731 -5.411 1.00 0.00 O ATOM 284 CB THR A 21 -10.188 10.967 -7.712 1.00 0.00 C ATOM 285 OG1 THR A 21 -9.485 12.150 -7.345 1.00 0.00 O ATOM 286 CG2 THR A 21 -11.630 11.437 -7.912 1.00 0.00 C ATOM 0 H THR A 21 -8.648 8.515 -6.833 1.00 0.00 H new ATOM 0 HA THR A 21 -10.194 10.647 -5.599 1.00 0.00 H new ATOM 0 HB THR A 21 -9.849 10.444 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.078 12.028 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.684 12.085 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.277 10.573 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.958 11.989 -7.031 1.00 0.00 H new ATOM 294 N ALA A 22 -11.222 8.242 -7.562 1.00 0.00 N ATOM 295 CA ALA A 22 -12.179 7.153 -7.653 1.00 0.00 C ATOM 296 C ALA A 22 -11.473 5.832 -7.342 1.00 0.00 C ATOM 297 O ALA A 22 -11.933 5.062 -6.500 1.00 0.00 O ATOM 298 CB ALA A 22 -12.825 7.156 -9.040 1.00 0.00 C ATOM 0 H ALA A 22 -10.689 8.414 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.977 7.281 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.543 6.339 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.338 8.104 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.055 7.027 -9.800 1.00 0.00 H new ATOM 304 N GLU A 23 -10.368 5.610 -8.037 1.00 0.00 N ATOM 305 CA GLU A 23 -9.594 4.395 -7.846 1.00 0.00 C ATOM 306 C GLU A 23 -9.441 4.094 -6.353 1.00 0.00 C ATOM 307 O GLU A 23 -9.839 3.027 -5.888 1.00 0.00 O ATOM 308 CB GLU A 23 -8.228 4.502 -8.527 1.00 0.00 C ATOM 309 CG GLU A 23 -7.923 3.244 -9.342 1.00 0.00 C ATOM 310 CD GLU A 23 -8.747 3.212 -10.630 1.00 0.00 C ATOM 311 OE1 GLU A 23 -8.383 3.967 -11.557 1.00 0.00 O ATOM 312 OE2 GLU A 23 -9.724 2.432 -10.659 1.00 0.00 O ATOM 0 H GLU A 23 -9.989 6.251 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.130 3.568 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.210 5.375 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.453 4.649 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.861 3.212 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.140 2.358 -8.745 1.00 0.00 H new ATOM 319 N GLN A 24 -8.863 5.053 -5.645 1.00 0.00 N ATOM 320 CA GLN A 24 -8.653 4.903 -4.215 1.00 0.00 C ATOM 321 C GLN A 24 -9.862 4.224 -3.568 1.00 0.00 C ATOM 322 O GLN A 24 -9.731 3.164 -2.958 1.00 0.00 O ATOM 323 CB GLN A 24 -8.367 6.255 -3.558 1.00 0.00 C ATOM 324 CG GLN A 24 -7.901 6.075 -2.112 1.00 0.00 C ATOM 325 CD GLN A 24 -8.796 6.854 -1.147 1.00 0.00 C ATOM 326 OE1 GLN A 24 -8.433 7.895 -0.625 1.00 0.00 O ATOM 327 NE2 GLN A 24 -9.984 6.293 -0.939 1.00 0.00 N ATOM 0 H GLN A 24 -8.534 5.936 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.780 4.269 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.603 6.785 -4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.266 6.871 -3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.913 5.017 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.870 6.416 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.225 5.420 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.654 6.736 -0.310 1.00 0.00 H new ATOM 336 N ILE A 25 -11.012 4.863 -3.724 1.00 0.00 N ATOM 337 CA ILE A 25 -12.244 4.335 -3.163 1.00 0.00 C ATOM 338 C ILE A 25 -12.297 2.823 -3.394 1.00 0.00 C ATOM 339 O ILE A 25 -12.381 2.048 -2.442 1.00 0.00 O ATOM 340 CB ILE A 25 -13.453 5.085 -3.723 1.00 0.00 C ATOM 341 CG1 ILE A 25 -13.436 6.553 -3.292 1.00 0.00 C ATOM 342 CG2 ILE A 25 -14.759 4.389 -3.334 1.00 0.00 C ATOM 343 CD1 ILE A 25 -14.345 7.398 -4.186 1.00 0.00 C ATOM 0 H ILE A 25 -11.117 5.742 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.271 4.495 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.391 5.068 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.762 6.635 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.417 6.937 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.603 4.943 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.763 3.374 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.843 4.353 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.314 8.437 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.002 7.333 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.368 7.027 -4.120 1.00 0.00 H new ATOM 355 N ARG A 26 -12.244 2.449 -4.664 1.00 0.00 N ATOM 356 CA ARG A 26 -12.285 1.044 -5.032 1.00 0.00 C ATOM 357 C ARG A 26 -11.108 0.296 -4.403 1.00 0.00 C ATOM 358 O ARG A 26 -11.266 -0.825 -3.921 1.00 0.00 O ATOM 359 CB ARG A 26 -12.238 0.871 -6.551 1.00 0.00 C ATOM 360 CG ARG A 26 -13.638 0.970 -7.159 1.00 0.00 C ATOM 361 CD ARG A 26 -14.079 -0.373 -7.745 1.00 0.00 C ATOM 362 NE ARG A 26 -15.488 -0.294 -8.188 1.00 0.00 N ATOM 363 CZ ARG A 26 -16.254 -1.361 -8.451 1.00 0.00 C ATOM 364 NH1 ARG A 26 -15.751 -2.596 -8.317 1.00 0.00 N ATOM 365 NH2 ARG A 26 -17.523 -1.195 -8.848 1.00 0.00 N ATOM 0 H ARG A 26 -12.173 3.094 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.223 0.631 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.594 1.634 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.799 -0.096 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.348 1.288 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.646 1.731 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.439 -0.640 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.968 -1.159 -6.998 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.902 0.631 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.785 -2.723 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.334 -3.409 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.907 -0.255 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.105 -2.008 -9.048 1.00 0.00 H new ATOM 379 N LEU A 27 -9.953 0.945 -4.429 1.00 0.00 N ATOM 380 CA LEU A 27 -8.750 0.356 -3.868 1.00 0.00 C ATOM 381 C LEU A 27 -9.009 -0.032 -2.411 1.00 0.00 C ATOM 382 O LEU A 27 -9.003 -1.213 -2.069 1.00 0.00 O ATOM 383 CB LEU A 27 -7.557 1.296 -4.052 1.00 0.00 C ATOM 384 CG LEU A 27 -7.070 1.489 -5.489 1.00 0.00 C ATOM 385 CD1 LEU A 27 -5.632 2.012 -5.516 1.00 0.00 C ATOM 386 CD2 LEU A 27 -7.226 0.200 -6.299 1.00 0.00 C ATOM 0 H LEU A 27 -9.825 1.874 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.490 -0.559 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.823 2.272 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.727 0.918 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.696 2.245 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.311 2.140 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.584 2.971 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.976 1.298 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.872 0.365 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.640 -0.594 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.276 -0.090 -6.322 1.00 0.00 H new ATOM 398 N ALA A 28 -9.229 0.986 -1.591 1.00 0.00 N ATOM 399 CA ALA A 28 -9.490 0.766 -0.179 1.00 0.00 C ATOM 400 C ALA A 28 -10.591 -0.285 -0.025 1.00 0.00 C ATOM 401 O ALA A 28 -10.650 -0.984 0.985 1.00 0.00 O ATOM 402 CB ALA A 28 -9.856 2.095 0.485 1.00 0.00 C ATOM 0 H ALA A 28 -9.232 1.965 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.599 0.385 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.052 1.931 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.030 2.797 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.747 2.505 0.011 1.00 0.00 H new ATOM 408 N GLN A 29 -11.436 -0.364 -1.043 1.00 0.00 N ATOM 409 CA GLN A 29 -12.532 -1.318 -1.033 1.00 0.00 C ATOM 410 C GLN A 29 -12.021 -2.716 -1.390 1.00 0.00 C ATOM 411 O GLN A 29 -12.531 -3.715 -0.884 1.00 0.00 O ATOM 412 CB GLN A 29 -13.647 -0.882 -1.985 1.00 0.00 C ATOM 413 CG GLN A 29 -14.582 -2.050 -2.306 1.00 0.00 C ATOM 414 CD GLN A 29 -16.041 -1.590 -2.342 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.435 -0.636 -1.691 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.818 -2.319 -3.138 1.00 0.00 N ATOM 0 H GLN A 29 -11.384 0.217 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.951 -1.351 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.217 -0.069 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.212 -0.495 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.310 -2.485 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.462 -2.833 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.424 -3.105 -3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.808 -2.092 -3.231 1.00 0.00 H new ATOM 425 N MET A 30 -11.022 -2.742 -2.260 1.00 0.00 N ATOM 426 CA MET A 30 -10.437 -4.000 -2.691 1.00 0.00 C ATOM 427 C MET A 30 -9.415 -4.507 -1.672 1.00 0.00 C ATOM 428 O MET A 30 -9.423 -5.683 -1.310 1.00 0.00 O ATOM 429 CB MET A 30 -9.755 -3.809 -4.047 1.00 0.00 C ATOM 430 CG MET A 30 -10.441 -4.645 -5.129 1.00 0.00 C ATOM 431 SD MET A 30 -9.227 -5.598 -6.026 1.00 0.00 S ATOM 432 CE MET A 30 -9.329 -4.805 -7.622 1.00 0.00 C ATOM 0 H MET A 30 -10.603 -1.911 -2.678 1.00 0.00 H new ATOM 0 HA MET A 30 -11.234 -4.739 -2.777 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.781 -2.756 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.705 -4.094 -3.973 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.175 -5.311 -4.675 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.983 -3.993 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.630 -5.281 -8.310 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.343 -4.900 -8.011 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.077 -3.749 -7.521 1.00 0.00 H new ATOM 442 N ILE A 31 -8.558 -3.595 -1.237 1.00 0.00 N ATOM 443 CA ILE A 31 -7.531 -3.934 -0.267 1.00 0.00 C ATOM 444 C ILE A 31 -8.192 -4.493 0.995 1.00 0.00 C ATOM 445 O ILE A 31 -7.854 -5.586 1.445 1.00 0.00 O ATOM 446 CB ILE A 31 -6.623 -2.731 -0.004 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.605 -2.555 -1.133 1.00 0.00 C ATOM 448 CG2 ILE A 31 -5.947 -2.843 1.364 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.711 -1.161 -1.754 1.00 0.00 C ATOM 0 H ILE A 31 -8.554 -2.621 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.880 -4.715 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.242 -1.834 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.598 -2.709 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.772 -3.312 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.307 -1.975 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.708 -2.883 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.344 -3.750 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.977 -1.062 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.712 -1.019 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.520 -0.407 -0.990 1.00 0.00 H new ATOM 461 N SER A 32 -9.123 -3.717 1.529 1.00 0.00 N ATOM 462 CA SER A 32 -9.835 -4.120 2.730 1.00 0.00 C ATOM 463 C SER A 32 -10.258 -5.586 2.620 1.00 0.00 C ATOM 464 O SER A 32 -9.867 -6.412 3.444 1.00 0.00 O ATOM 465 CB SER A 32 -11.057 -3.232 2.971 1.00 0.00 C ATOM 466 OG SER A 32 -11.951 -3.241 1.861 1.00 0.00 O ATOM 0 H SER A 32 -9.401 -2.811 1.152 1.00 0.00 H new ATOM 0 HA SER A 32 -9.163 -4.005 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.583 -3.573 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.730 -2.210 3.165 1.00 0.00 H new ATOM 0 HG SER A 32 -11.740 -2.492 1.265 1.00 0.00 H new ATOM 472 N ASP A 33 -11.051 -5.865 1.596 1.00 0.00 N ATOM 473 CA ASP A 33 -11.531 -7.217 1.368 1.00 0.00 C ATOM 474 C ASP A 33 -10.393 -8.208 1.622 1.00 0.00 C ATOM 475 O ASP A 33 -10.566 -9.184 2.351 1.00 0.00 O ATOM 476 CB ASP A 33 -12.001 -7.398 -0.077 1.00 0.00 C ATOM 477 CG ASP A 33 -13.518 -7.348 -0.274 1.00 0.00 C ATOM 478 OD1 ASP A 33 -14.228 -7.565 0.731 1.00 0.00 O ATOM 479 OD2 ASP A 33 -13.932 -7.094 -1.426 1.00 0.00 O ATOM 0 H ASP A 33 -11.373 -5.178 0.915 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.366 -7.397 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.544 -6.623 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.633 -8.355 -0.446 1.00 0.00 H new ATOM 484 N HIS A 34 -9.255 -7.923 1.007 1.00 0.00 N ATOM 485 CA HIS A 34 -8.088 -8.776 1.158 1.00 0.00 C ATOM 486 C HIS A 34 -7.231 -8.273 2.321 1.00 0.00 C ATOM 487 O HIS A 34 -6.115 -7.800 2.115 1.00 0.00 O ATOM 488 CB HIS A 34 -7.310 -8.869 -0.156 1.00 0.00 C ATOM 489 CG HIS A 34 -7.987 -9.707 -1.214 1.00 0.00 C ATOM 490 ND1 HIS A 34 -8.037 -11.089 -1.157 1.00 0.00 N ATOM 491 CD2 HIS A 34 -8.641 -9.345 -2.354 1.00 0.00 C ATOM 492 CE1 HIS A 34 -8.693 -11.528 -2.220 1.00 0.00 C ATOM 493 NE2 HIS A 34 -9.067 -10.446 -2.962 1.00 0.00 N ATOM 0 H HIS A 34 -9.116 -7.113 0.403 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.404 -9.791 1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.157 -7.863 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.324 -9.286 0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.788 -8.334 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.896 -12.562 -2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.588 -10.478 -3.839 1.00 0.00 H new ATOM 501 N ASN A 35 -7.786 -8.393 3.518 1.00 0.00 N ATOM 502 CA ASN A 35 -7.087 -7.956 4.714 1.00 0.00 C ATOM 503 C ASN A 35 -6.817 -9.165 5.612 1.00 0.00 C ATOM 504 O ASN A 35 -7.305 -10.262 5.345 1.00 0.00 O ATOM 505 CB ASN A 35 -7.927 -6.955 5.509 1.00 0.00 C ATOM 506 CG ASN A 35 -7.720 -5.531 4.990 1.00 0.00 C ATOM 507 OD1 ASN A 35 -7.013 -5.291 4.025 1.00 0.00 O ATOM 508 ND2 ASN A 35 -8.373 -4.602 5.683 1.00 0.00 N ATOM 0 H ASN A 35 -8.712 -8.787 3.685 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.156 -7.480 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.981 -7.222 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.656 -7.004 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.298 -3.620 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.948 -4.871 6.481 1.00 0.00 H new ATOM 515 N ASP A 36 -6.042 -8.924 6.659 1.00 0.00 N ATOM 516 CA ASP A 36 -5.701 -9.979 7.597 1.00 0.00 C ATOM 517 C ASP A 36 -5.479 -9.371 8.984 1.00 0.00 C ATOM 518 O ASP A 36 -5.154 -8.191 9.102 1.00 0.00 O ATOM 519 CB ASP A 36 -4.413 -10.692 7.182 1.00 0.00 C ATOM 520 CG ASP A 36 -3.980 -11.834 8.103 1.00 0.00 C ATOM 521 OD1 ASP A 36 -3.308 -11.526 9.111 1.00 0.00 O ATOM 522 OD2 ASP A 36 -4.331 -12.989 7.779 1.00 0.00 O ATOM 0 H ASP A 36 -5.640 -8.012 6.878 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.522 -10.696 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.543 -11.087 6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.608 -9.958 7.135 1.00 0.00 H new ATOM 527 N ALA A 37 -5.664 -10.204 9.997 1.00 0.00 N ATOM 528 CA ALA A 37 -5.487 -9.763 11.370 1.00 0.00 C ATOM 529 C ALA A 37 -4.192 -8.957 11.480 1.00 0.00 C ATOM 530 O ALA A 37 -4.193 -7.841 11.998 1.00 0.00 O ATOM 531 CB ALA A 37 -5.499 -10.977 12.302 1.00 0.00 C ATOM 0 H ALA A 37 -5.935 -11.182 9.895 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.307 -9.112 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.366 -10.646 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.452 -11.498 12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.688 -11.652 12.030 1.00 0.00 H new ATOM 537 N ASP A 38 -3.117 -9.552 10.983 1.00 0.00 N ATOM 538 CA ASP A 38 -1.818 -8.903 11.019 1.00 0.00 C ATOM 539 C ASP A 38 -1.958 -7.464 10.519 1.00 0.00 C ATOM 540 O ASP A 38 -1.762 -6.517 11.279 1.00 0.00 O ATOM 541 CB ASP A 38 -0.818 -9.623 10.112 1.00 0.00 C ATOM 542 CG ASP A 38 -0.655 -11.119 10.389 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.862 -11.506 11.559 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.326 -11.842 9.424 1.00 0.00 O ATOM 0 H ASP A 38 -3.120 -10.477 10.553 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.456 -8.928 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.131 -9.493 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.155 -9.142 10.214 1.00 0.00 H new ATOM 549 N PHE A 39 -2.296 -7.344 9.243 1.00 0.00 N ATOM 550 CA PHE A 39 -2.464 -6.037 8.633 1.00 0.00 C ATOM 551 C PHE A 39 -3.433 -5.174 9.444 1.00 0.00 C ATOM 552 O PHE A 39 -3.203 -3.979 9.626 1.00 0.00 O ATOM 553 CB PHE A 39 -3.049 -6.266 7.238 1.00 0.00 C ATOM 554 CG PHE A 39 -3.322 -4.978 6.458 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.303 -4.118 6.189 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.582 -4.694 6.033 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.556 -2.922 5.465 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.835 -3.499 5.309 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.816 -2.638 5.040 1.00 0.00 C ATOM 0 H PHE A 39 -2.458 -8.131 8.615 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.505 -5.520 8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.361 -6.887 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.980 -6.825 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.302 -4.344 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.391 -5.378 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.747 -2.238 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.836 -3.273 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.008 -1.729 4.489 1.00 0.00 H new ATOM 569 N GLU A 40 -4.496 -5.812 9.910 1.00 0.00 N ATOM 570 CA GLU A 40 -5.501 -5.118 10.697 1.00 0.00 C ATOM 571 C GLU A 40 -4.857 -4.464 11.921 1.00 0.00 C ATOM 572 O GLU A 40 -4.972 -3.255 12.116 1.00 0.00 O ATOM 573 CB GLU A 40 -6.626 -6.069 11.112 1.00 0.00 C ATOM 574 CG GLU A 40 -7.710 -6.138 10.034 1.00 0.00 C ATOM 575 CD GLU A 40 -8.987 -6.779 10.582 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.847 -7.714 11.399 1.00 0.00 O ATOM 577 OE2 GLU A 40 -10.074 -6.319 10.171 1.00 0.00 O ATOM 0 H GLU A 40 -4.683 -6.803 9.758 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.941 -4.335 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.219 -7.065 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.063 -5.733 12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.930 -5.135 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.346 -6.714 9.183 1.00 0.00 H new ATOM 584 N GLU A 41 -4.193 -5.292 12.715 1.00 0.00 N ATOM 585 CA GLU A 41 -3.531 -4.809 13.914 1.00 0.00 C ATOM 586 C GLU A 41 -2.588 -3.654 13.571 1.00 0.00 C ATOM 587 O GLU A 41 -2.457 -2.704 14.342 1.00 0.00 O ATOM 588 CB GLU A 41 -2.780 -5.940 14.619 1.00 0.00 C ATOM 589 CG GLU A 41 -3.421 -6.267 15.969 1.00 0.00 C ATOM 590 CD GLU A 41 -2.781 -5.449 17.093 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.579 -5.678 17.347 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.508 -4.613 17.671 1.00 0.00 O ATOM 0 H GLU A 41 -4.100 -6.294 12.551 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.292 -4.439 14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.779 -6.829 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.739 -5.653 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.490 -6.060 15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.310 -7.331 16.180 1.00 0.00 H new ATOM 599 N LYS A 42 -1.954 -3.773 12.414 1.00 0.00 N ATOM 600 CA LYS A 42 -1.027 -2.751 11.960 1.00 0.00 C ATOM 601 C LYS A 42 -1.793 -1.452 11.701 1.00 0.00 C ATOM 602 O LYS A 42 -1.468 -0.412 12.272 1.00 0.00 O ATOM 603 CB LYS A 42 -0.232 -3.248 10.750 1.00 0.00 C ATOM 604 CG LYS A 42 0.881 -4.205 11.181 1.00 0.00 C ATOM 605 CD LYS A 42 2.032 -4.196 10.173 1.00 0.00 C ATOM 606 CE LYS A 42 3.152 -5.141 10.612 1.00 0.00 C ATOM 607 NZ LYS A 42 4.474 -4.584 10.246 1.00 0.00 N ATOM 0 H LYS A 42 -2.064 -4.562 11.777 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.288 -2.537 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.901 -3.753 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.199 -2.399 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.252 -3.918 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.482 -5.215 11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.663 -4.494 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.424 -3.184 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.102 -5.297 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.019 -6.115 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.222 -5.246 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.518 -4.441 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.612 -3.673 10.728 1.00 0.00 H new ATOM 621 N VAL A 43 -2.795 -1.555 10.840 1.00 0.00 N ATOM 622 CA VAL A 43 -3.609 -0.401 10.499 1.00 0.00 C ATOM 623 C VAL A 43 -3.932 0.384 11.771 1.00 0.00 C ATOM 624 O VAL A 43 -3.718 1.594 11.829 1.00 0.00 O ATOM 625 CB VAL A 43 -4.860 -0.850 9.740 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.904 0.268 9.695 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.505 -1.325 8.330 1.00 0.00 C ATOM 0 H VAL A 43 -3.061 -2.419 10.369 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.063 0.268 9.834 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.294 -1.693 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.783 -0.077 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.190 0.540 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.483 1.139 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.412 -1.638 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.036 -0.510 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.814 -2.166 8.392 1.00 0.00 H new ATOM 637 N LYS A 44 -4.441 -0.336 12.760 1.00 0.00 N ATOM 638 CA LYS A 44 -4.795 0.279 14.028 1.00 0.00 C ATOM 639 C LYS A 44 -3.560 0.959 14.623 1.00 0.00 C ATOM 640 O LYS A 44 -3.642 2.085 15.111 1.00 0.00 O ATOM 641 CB LYS A 44 -5.440 -0.749 14.960 1.00 0.00 C ATOM 642 CG LYS A 44 -6.902 -0.992 14.581 1.00 0.00 C ATOM 643 CD LYS A 44 -7.480 -2.178 15.357 1.00 0.00 C ATOM 644 CE LYS A 44 -7.959 -1.744 16.744 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.246 -1.019 16.644 1.00 0.00 N ATOM 0 H LYS A 44 -4.617 -1.339 12.709 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.546 1.055 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.887 -1.687 14.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.381 -0.398 15.990 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.489 -0.097 14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.977 -1.182 13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.311 -2.611 14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.723 -2.956 15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.076 -2.618 17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.210 -1.104 17.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.682 -0.955 17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.077 -0.062 16.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.884 -1.531 16.001 1.00 0.00 H new ATOM 659 N GLN A 45 -2.445 0.246 14.563 1.00 0.00 N ATOM 660 CA GLN A 45 -1.195 0.767 15.089 1.00 0.00 C ATOM 661 C GLN A 45 -0.868 2.116 14.445 1.00 0.00 C ATOM 662 O GLN A 45 -0.356 3.017 15.107 1.00 0.00 O ATOM 663 CB GLN A 45 -0.054 -0.231 14.880 1.00 0.00 C ATOM 664 CG GLN A 45 0.285 -0.956 16.184 1.00 0.00 C ATOM 665 CD GLN A 45 1.661 -0.536 16.703 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.695 -0.917 16.178 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.618 0.268 17.762 1.00 0.00 N ATOM 0 H GLN A 45 -2.381 -0.688 14.158 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.310 0.918 16.162 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.337 -0.958 14.118 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.828 0.292 14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.474 -0.735 16.935 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.267 -2.034 16.020 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.719 0.549 18.153 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.484 0.603 18.183 1.00 0.00 H new ATOM 676 N LEU A 46 -1.178 2.212 13.160 1.00 0.00 N ATOM 677 CA LEU A 46 -0.924 3.436 12.418 1.00 0.00 C ATOM 678 C LEU A 46 -1.804 4.557 12.976 1.00 0.00 C ATOM 679 O LEU A 46 -1.332 5.672 13.191 1.00 0.00 O ATOM 680 CB LEU A 46 -1.105 3.200 10.918 1.00 0.00 C ATOM 681 CG LEU A 46 0.126 2.692 10.165 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.208 2.401 8.700 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.295 3.670 10.302 1.00 0.00 C ATOM 0 H LEU A 46 -1.603 1.462 12.614 1.00 0.00 H new ATOM 0 HA LEU A 46 0.112 3.751 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.913 2.482 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.426 4.135 10.460 1.00 0.00 H new ATOM 0 HG LEU A 46 0.438 1.751 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.684 2.041 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.987 1.640 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.560 3.314 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.157 3.285 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.009 4.638 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.552 3.784 11.355 1.00 0.00 H new ATOM 695 N ILE A 47 -3.067 4.221 13.194 1.00 0.00 N ATOM 696 CA ILE A 47 -4.017 5.186 13.722 1.00 0.00 C ATOM 697 C ILE A 47 -3.581 5.608 15.126 1.00 0.00 C ATOM 698 O ILE A 47 -3.374 6.792 15.386 1.00 0.00 O ATOM 699 CB ILE A 47 -5.439 4.625 13.662 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.050 4.826 12.274 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.312 5.226 14.765 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.379 4.080 12.146 1.00 0.00 C ATOM 0 H ILE A 47 -3.455 3.295 13.015 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.028 6.086 13.107 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.390 3.551 13.839 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.207 5.889 12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.355 4.472 11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.318 4.811 14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.883 4.988 15.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.358 6.308 14.644 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.792 4.240 11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.215 3.014 12.304 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.079 4.454 12.893 1.00 0.00 H new ATOM 714 N ASP A 48 -3.454 4.616 15.995 1.00 0.00 N ATOM 715 CA ASP A 48 -3.046 4.870 17.367 1.00 0.00 C ATOM 716 C ASP A 48 -1.746 5.676 17.367 1.00 0.00 C ATOM 717 O ASP A 48 -1.582 6.596 18.166 1.00 0.00 O ATOM 718 CB ASP A 48 -2.791 3.561 18.117 1.00 0.00 C ATOM 719 CG ASP A 48 -3.842 3.204 19.170 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.820 3.974 19.280 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.643 2.168 19.841 1.00 0.00 O ATOM 0 H ASP A 48 -3.626 3.635 15.776 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.848 5.418 17.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.735 2.749 17.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.817 3.622 18.603 1.00 0.00 H new ATOM 726 N ILE A 49 -0.855 5.300 16.461 1.00 0.00 N ATOM 727 CA ILE A 49 0.426 5.977 16.347 1.00 0.00 C ATOM 728 C ILE A 49 0.204 7.393 15.812 1.00 0.00 C ATOM 729 O ILE A 49 0.380 8.370 16.539 1.00 0.00 O ATOM 730 CB ILE A 49 1.397 5.147 15.505 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.817 3.876 16.246 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.603 5.984 15.074 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.265 2.792 15.264 1.00 0.00 C ATOM 0 H ILE A 49 -0.995 4.536 15.800 1.00 0.00 H new ATOM 0 HA ILE A 49 0.893 6.076 17.327 1.00 0.00 H new ATOM 0 HB ILE A 49 0.881 4.835 14.597 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.629 4.105 16.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.984 3.508 16.845 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.277 5.370 14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.263 6.833 14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.129 6.346 15.957 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.558 1.899 15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.443 2.549 14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.114 3.155 14.684 1.00 0.00 H new ATOM 745 N THR A 50 -0.180 7.460 14.546 1.00 0.00 N ATOM 746 CA THR A 50 -0.428 8.740 13.905 1.00 0.00 C ATOM 747 C THR A 50 -1.830 9.247 14.251 1.00 0.00 C ATOM 748 O THR A 50 -1.977 10.224 14.983 1.00 0.00 O ATOM 749 CB THR A 50 -0.197 8.570 12.402 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.279 7.745 11.976 1.00 0.00 O ATOM 751 CG2 THR A 50 1.049 7.739 12.092 1.00 0.00 C ATOM 0 H THR A 50 -0.326 6.648 13.946 1.00 0.00 H new ATOM 0 HA THR A 50 0.259 9.504 14.269 1.00 0.00 H new ATOM 0 HB THR A 50 -0.105 9.551 11.936 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.081 6.809 12.190 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.167 7.649 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.927 8.229 12.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.942 6.746 12.529 1.00 0.00 H new ATOM 759 N GLY A 51 -2.823 8.559 13.708 1.00 0.00 N ATOM 760 CA GLY A 51 -4.208 8.927 13.950 1.00 0.00 C ATOM 761 C GLY A 51 -4.837 9.545 12.700 1.00 0.00 C ATOM 762 O GLY A 51 -5.820 10.280 12.794 1.00 0.00 O ATOM 0 H GLY A 51 -2.697 7.749 13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.775 8.046 14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.261 9.636 14.776 1.00 0.00 H new ATOM 766 N LYS A 52 -4.246 9.226 11.559 1.00 0.00 N ATOM 767 CA LYS A 52 -4.736 9.741 10.292 1.00 0.00 C ATOM 768 C LYS A 52 -5.982 8.958 9.875 1.00 0.00 C ATOM 769 O LYS A 52 -6.439 8.078 10.604 1.00 0.00 O ATOM 770 CB LYS A 52 -3.623 9.730 9.242 1.00 0.00 C ATOM 771 CG LYS A 52 -2.345 10.368 9.790 1.00 0.00 C ATOM 772 CD LYS A 52 -2.375 11.888 9.619 1.00 0.00 C ATOM 773 CE LYS A 52 -1.123 12.382 8.890 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.154 13.855 8.748 1.00 0.00 N ATOM 0 H LYS A 52 -3.431 8.617 11.485 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.035 10.784 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.419 8.704 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.951 10.270 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.234 10.119 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.478 9.957 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.264 12.177 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.444 12.366 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.232 12.082 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.060 11.917 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.298 14.174 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.995 14.134 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.192 14.294 9.690 1.00 0.00 H new ATOM 788 N ASN A 53 -6.498 9.306 8.706 1.00 0.00 N ATOM 789 CA ASN A 53 -7.683 8.646 8.184 1.00 0.00 C ATOM 790 C ASN A 53 -7.388 7.158 7.988 1.00 0.00 C ATOM 791 O ASN A 53 -6.505 6.793 7.213 1.00 0.00 O ATOM 792 CB ASN A 53 -8.087 9.230 6.829 1.00 0.00 C ATOM 793 CG ASN A 53 -8.446 10.712 6.956 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.595 11.586 6.965 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.752 10.946 7.053 1.00 0.00 N ATOM 0 H ASN A 53 -6.117 10.037 8.105 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.494 8.795 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.269 9.110 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.939 8.679 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.093 11.903 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.412 10.168 7.039 1.00 0.00 H new ATOM 802 N GLN A 54 -8.144 6.338 8.703 1.00 0.00 N ATOM 803 CA GLN A 54 -7.975 4.898 8.618 1.00 0.00 C ATOM 804 C GLN A 54 -7.695 4.481 7.172 1.00 0.00 C ATOM 805 O GLN A 54 -6.651 3.900 6.881 1.00 0.00 O ATOM 806 CB GLN A 54 -9.200 4.168 9.172 1.00 0.00 C ATOM 807 CG GLN A 54 -8.924 2.670 9.322 1.00 0.00 C ATOM 808 CD GLN A 54 -10.227 1.889 9.511 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.925 2.027 10.501 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.513 1.064 8.508 1.00 0.00 N ATOM 0 H GLN A 54 -8.876 6.644 9.344 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.118 4.616 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.473 4.590 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.050 4.320 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.400 2.303 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.267 2.501 10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.884 0.997 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.361 0.498 8.539 1.00 0.00 H new ATOM 819 N ASP A 55 -8.647 4.793 6.306 1.00 0.00 N ATOM 820 CA ASP A 55 -8.517 4.458 4.898 1.00 0.00 C ATOM 821 C ASP A 55 -7.090 4.759 4.437 1.00 0.00 C ATOM 822 O ASP A 55 -6.454 3.927 3.791 1.00 0.00 O ATOM 823 CB ASP A 55 -9.475 5.290 4.043 1.00 0.00 C ATOM 824 CG ASP A 55 -10.941 4.858 4.108 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.265 3.846 3.449 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.706 5.550 4.816 1.00 0.00 O ATOM 0 H ASP A 55 -9.512 5.274 6.552 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.754 3.401 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.405 6.332 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.144 5.245 3.005 1.00 0.00 H new ATOM 831 N GLU A 56 -6.627 5.950 4.787 1.00 0.00 N ATOM 832 CA GLU A 56 -5.286 6.371 4.417 1.00 0.00 C ATOM 833 C GLU A 56 -4.245 5.467 5.079 1.00 0.00 C ATOM 834 O GLU A 56 -3.380 4.912 4.404 1.00 0.00 O ATOM 835 CB GLU A 56 -5.051 7.837 4.783 1.00 0.00 C ATOM 836 CG GLU A 56 -5.930 8.761 3.936 1.00 0.00 C ATOM 837 CD GLU A 56 -5.224 9.148 2.635 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.290 9.975 2.720 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.634 8.609 1.585 1.00 0.00 O ATOM 0 H GLU A 56 -7.157 6.637 5.323 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.183 6.280 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.268 7.991 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.001 8.089 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.873 8.264 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.172 9.659 4.504 1.00 0.00 H new ATOM 846 N CYS A 57 -4.362 5.347 6.394 1.00 0.00 N ATOM 847 CA CYS A 57 -3.441 4.520 7.155 1.00 0.00 C ATOM 848 C CYS A 57 -3.324 3.163 6.457 1.00 0.00 C ATOM 849 O CYS A 57 -2.222 2.650 6.271 1.00 0.00 O ATOM 850 CB CYS A 57 -3.884 4.375 8.613 1.00 0.00 C ATOM 851 SG CYS A 57 -3.806 5.998 9.454 1.00 0.00 S ATOM 0 H CYS A 57 -5.081 5.809 6.951 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.461 4.997 7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.900 3.982 8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.243 3.658 9.127 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.008 6.388 9.758 1.00 0.00 H new ATOM 857 N VAL A 58 -4.476 2.621 6.090 1.00 0.00 N ATOM 858 CA VAL A 58 -4.517 1.335 5.416 1.00 0.00 C ATOM 859 C VAL A 58 -3.786 1.442 4.076 1.00 0.00 C ATOM 860 O VAL A 58 -3.111 0.504 3.657 1.00 0.00 O ATOM 861 CB VAL A 58 -5.966 0.865 5.271 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.048 -0.409 4.429 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.615 0.659 6.641 1.00 0.00 C ATOM 0 H VAL A 58 -5.388 3.049 6.247 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.002 0.578 6.007 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.521 1.646 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.089 -0.721 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.643 -0.215 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.471 -1.200 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.644 0.325 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.058 -0.094 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.606 1.599 7.193 1.00 0.00 H new ATOM 873 N ILE A 59 -3.947 2.594 3.442 1.00 0.00 N ATOM 874 CA ILE A 59 -3.311 2.836 2.158 1.00 0.00 C ATOM 875 C ILE A 59 -1.795 2.901 2.349 1.00 0.00 C ATOM 876 O ILE A 59 -1.062 2.068 1.816 1.00 0.00 O ATOM 877 CB ILE A 59 -3.902 4.081 1.494 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.357 3.847 1.084 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.039 4.535 0.314 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.146 5.158 1.090 1.00 0.00 C ATOM 0 H ILE A 59 -4.508 3.370 3.793 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.511 2.013 1.472 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.901 4.890 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.391 3.402 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.821 3.136 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.481 5.422 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.035 4.771 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.985 3.737 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.177 4.963 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.130 5.588 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.694 5.858 0.388 1.00 0.00 H new ATOM 892 N ALA A 60 -1.369 3.897 3.110 1.00 0.00 N ATOM 893 CA ALA A 60 0.048 4.082 3.378 1.00 0.00 C ATOM 894 C ALA A 60 0.673 2.734 3.743 1.00 0.00 C ATOM 895 O ALA A 60 1.702 2.352 3.187 1.00 0.00 O ATOM 896 CB ALA A 60 0.227 5.126 4.483 1.00 0.00 C ATOM 0 H ALA A 60 -1.980 4.585 3.550 1.00 0.00 H new ATOM 0 HA ALA A 60 0.561 4.455 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.289 5.265 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.208 6.073 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.272 4.785 5.390 1.00 0.00 H new ATOM 902 N LEU A 61 0.025 2.050 4.675 1.00 0.00 N ATOM 903 CA LEU A 61 0.505 0.753 5.121 1.00 0.00 C ATOM 904 C LEU A 61 0.790 -0.127 3.902 1.00 0.00 C ATOM 905 O LEU A 61 1.929 -0.538 3.681 1.00 0.00 O ATOM 906 CB LEU A 61 -0.479 0.129 6.112 1.00 0.00 C ATOM 907 CG LEU A 61 0.036 -1.078 6.899 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.510 -0.903 7.268 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.836 -1.344 8.128 1.00 0.00 C ATOM 0 H LEU A 61 -0.828 2.370 5.133 1.00 0.00 H new ATOM 0 HA LEU A 61 1.444 0.861 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.785 0.897 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.372 -0.173 5.565 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.033 -1.958 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.851 -1.775 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.103 -0.800 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.628 -0.010 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.448 -2.207 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.822 -0.470 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.860 -1.544 7.811 1.00 0.00 H new ATOM 921 N HIS A 62 -0.263 -0.389 3.142 1.00 0.00 N ATOM 922 CA HIS A 62 -0.140 -1.212 1.951 1.00 0.00 C ATOM 923 C HIS A 62 0.879 -0.585 0.997 1.00 0.00 C ATOM 924 O HIS A 62 1.882 -1.211 0.656 1.00 0.00 O ATOM 925 CB HIS A 62 -1.506 -1.431 1.298 1.00 0.00 C ATOM 926 CG HIS A 62 -1.434 -1.913 -0.131 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.855 -3.172 -0.521 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.986 -1.291 -1.260 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.665 -3.292 -1.826 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.125 -2.125 -2.282 1.00 0.00 N ATOM 0 H HIS A 62 -1.205 -0.046 3.328 1.00 0.00 H new ATOM 0 HA HIS A 62 0.230 -2.200 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.067 -2.156 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.065 -0.496 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.586 -0.289 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.897 -4.161 -2.424 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.870 -1.927 -3.250 1.00 0.00 H new ATOM 938 N ASP A 63 0.586 0.642 0.592 1.00 0.00 N ATOM 939 CA ASP A 63 1.465 1.360 -0.316 1.00 0.00 C ATOM 940 C ASP A 63 2.920 1.101 0.078 1.00 0.00 C ATOM 941 O ASP A 63 3.752 0.791 -0.774 1.00 0.00 O ATOM 942 CB ASP A 63 1.216 2.868 -0.245 1.00 0.00 C ATOM 943 CG ASP A 63 1.235 3.591 -1.593 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.179 3.322 -2.368 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.306 4.395 -1.818 1.00 0.00 O ATOM 0 H ASP A 63 -0.247 1.157 0.876 1.00 0.00 H new ATOM 0 HA ASP A 63 1.265 1.009 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.249 3.039 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.971 3.316 0.401 1.00 0.00 H new ATOM 950 N CYS A 64 3.184 1.239 1.369 1.00 0.00 N ATOM 951 CA CYS A 64 4.525 1.024 1.886 1.00 0.00 C ATOM 952 C CYS A 64 4.895 -0.444 1.664 1.00 0.00 C ATOM 953 O CYS A 64 5.762 -0.752 0.848 1.00 0.00 O ATOM 954 CB CYS A 64 4.634 1.424 3.359 1.00 0.00 C ATOM 955 SG CYS A 64 5.190 3.162 3.496 1.00 0.00 S ATOM 0 H CYS A 64 2.492 1.497 2.073 1.00 0.00 H new ATOM 0 HA CYS A 64 5.230 1.660 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.668 1.303 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.337 0.767 3.872 1.00 0.00 H new ATOM 0 HG CYS A 64 4.158 3.952 3.459 1.00 0.00 H new ATOM 961 N ASN A 65 4.221 -1.310 2.406 1.00 0.00 N ATOM 962 CA ASN A 65 4.469 -2.738 2.301 1.00 0.00 C ATOM 963 C ASN A 65 4.011 -3.427 3.588 1.00 0.00 C ATOM 964 O ASN A 65 4.724 -4.267 4.134 1.00 0.00 O ATOM 965 CB ASN A 65 5.960 -3.026 2.116 1.00 0.00 C ATOM 966 CG ASN A 65 6.292 -3.271 0.642 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.482 -3.757 -0.131 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.524 -2.910 0.298 1.00 0.00 N ATOM 0 H ASN A 65 3.503 -1.050 3.083 1.00 0.00 H new ATOM 0 HA ASN A 65 3.919 -3.113 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.545 -2.186 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.242 -3.898 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.842 -3.034 -0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.151 -2.509 0.995 1.00 0.00 H new ATOM 975 N GLY A 66 2.823 -3.045 4.035 1.00 0.00 N ATOM 976 CA GLY A 66 2.262 -3.616 5.248 1.00 0.00 C ATOM 977 C GLY A 66 3.120 -3.269 6.466 1.00 0.00 C ATOM 978 O GLY A 66 2.962 -3.864 7.531 1.00 0.00 O ATOM 0 H GLY A 66 2.234 -2.348 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.248 -3.243 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.191 -4.699 5.145 1.00 0.00 H new ATOM 982 N ASP A 67 4.010 -2.307 6.268 1.00 0.00 N ATOM 983 CA ASP A 67 4.894 -1.874 7.337 1.00 0.00 C ATOM 984 C ASP A 67 4.292 -0.646 8.024 1.00 0.00 C ATOM 985 O ASP A 67 3.841 0.283 7.357 1.00 0.00 O ATOM 986 CB ASP A 67 6.269 -1.484 6.791 1.00 0.00 C ATOM 987 CG ASP A 67 7.411 -2.421 7.187 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.605 -2.594 8.410 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.066 -2.942 6.259 1.00 0.00 O ATOM 0 H ASP A 67 4.138 -1.816 5.383 1.00 0.00 H new ATOM 0 HA ASP A 67 5.006 -2.701 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.213 -1.443 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.508 -0.478 7.136 1.00 0.00 H new ATOM 994 N VAL A 68 4.306 -0.683 9.348 1.00 0.00 N ATOM 995 CA VAL A 68 3.767 0.415 10.133 1.00 0.00 C ATOM 996 C VAL A 68 4.783 1.558 10.167 1.00 0.00 C ATOM 997 O VAL A 68 4.409 2.728 10.109 1.00 0.00 O ATOM 998 CB VAL A 68 3.377 -0.080 11.527 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.418 1.061 12.546 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.001 -0.748 11.507 1.00 0.00 C ATOM 0 H VAL A 68 4.682 -1.456 9.897 1.00 0.00 H new ATOM 0 HA VAL A 68 2.857 0.802 9.674 1.00 0.00 H new ATOM 0 HB VAL A 68 4.108 -0.828 11.833 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.137 0.682 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.426 1.472 12.591 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.720 1.843 12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.748 -1.091 12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.253 -0.031 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.020 -1.600 10.827 1.00 0.00 H new ATOM 1010 N ASN A 69 6.050 1.179 10.261 1.00 0.00 N ATOM 1011 CA ASN A 69 7.122 2.158 10.304 1.00 0.00 C ATOM 1012 C ASN A 69 7.169 2.916 8.975 1.00 0.00 C ATOM 1013 O ASN A 69 6.931 4.122 8.936 1.00 0.00 O ATOM 1014 CB ASN A 69 8.479 1.480 10.509 1.00 0.00 C ATOM 1015 CG ASN A 69 8.365 0.313 11.492 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.765 0.415 12.549 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.974 -0.797 11.085 1.00 0.00 N ATOM 0 H ASN A 69 6.357 0.208 10.309 1.00 0.00 H new ATOM 0 HA ASN A 69 6.927 2.835 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.858 1.119 9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.200 2.207 10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.957 -1.632 11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.459 -0.813 10.188 1.00 0.00 H new ATOM 1024 N ARG A 70 7.477 2.177 7.919 1.00 0.00 N ATOM 1025 CA ARG A 70 7.557 2.764 6.593 1.00 0.00 C ATOM 1026 C ARG A 70 6.356 3.678 6.343 1.00 0.00 C ATOM 1027 O ARG A 70 6.508 4.778 5.814 1.00 0.00 O ATOM 1028 CB ARG A 70 7.598 1.681 5.513 1.00 0.00 C ATOM 1029 CG ARG A 70 8.991 1.057 5.414 1.00 0.00 C ATOM 1030 CD ARG A 70 9.237 0.483 4.017 1.00 0.00 C ATOM 1031 NE ARG A 70 9.985 -0.791 4.118 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.291 -0.874 4.406 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.002 0.240 4.624 1.00 0.00 N ATOM 1034 NH2 ARG A 70 11.886 -2.073 4.476 1.00 0.00 N ATOM 0 H ARG A 70 7.674 1.177 7.955 1.00 0.00 H new ATOM 0 HA ARG A 70 8.477 3.346 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.865 0.907 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.319 2.111 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.747 1.809 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.093 0.268 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.286 0.317 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.799 1.197 3.415 1.00 0.00 H new ATOM 0 HE ARG A 70 9.474 -1.659 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.549 1.153 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.996 0.176 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.345 -2.921 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.880 -2.137 4.695 1.00 0.00 H new ATOM 1048 N ALA A 71 5.189 3.190 6.736 1.00 0.00 N ATOM 1049 CA ALA A 71 3.963 3.949 6.562 1.00 0.00 C ATOM 1050 C ALA A 71 4.088 5.287 7.294 1.00 0.00 C ATOM 1051 O ALA A 71 3.906 6.346 6.695 1.00 0.00 O ATOM 1052 CB ALA A 71 2.775 3.123 7.058 1.00 0.00 C ATOM 0 H ALA A 71 5.067 2.277 7.175 1.00 0.00 H new ATOM 0 HA ALA A 71 3.792 4.164 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.855 3.693 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.712 2.197 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.910 2.889 8.114 1.00 0.00 H new ATOM 1058 N ILE A 72 4.399 5.196 8.578 1.00 0.00 N ATOM 1059 CA ILE A 72 4.551 6.385 9.398 1.00 0.00 C ATOM 1060 C ILE A 72 5.426 7.400 8.660 1.00 0.00 C ATOM 1061 O ILE A 72 5.121 8.592 8.643 1.00 0.00 O ATOM 1062 CB ILE A 72 5.076 6.016 10.787 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.981 5.361 11.631 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.687 7.233 11.484 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.562 4.269 12.531 1.00 0.00 C ATOM 0 H ILE A 72 4.550 4.316 9.071 1.00 0.00 H new ATOM 0 HA ILE A 72 3.583 6.858 9.564 1.00 0.00 H new ATOM 0 HB ILE A 72 5.872 5.281 10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.487 6.116 12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.221 4.933 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.052 6.943 12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.516 7.616 10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.929 8.009 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.763 3.820 13.120 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.034 3.503 11.915 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.304 4.705 13.200 1.00 0.00 H new ATOM 1077 N ASN A 73 6.495 6.890 8.067 1.00 0.00 N ATOM 1078 CA ASN A 73 7.417 7.737 7.328 1.00 0.00 C ATOM 1079 C ASN A 73 6.641 8.527 6.272 1.00 0.00 C ATOM 1080 O ASN A 73 6.916 9.705 6.047 1.00 0.00 O ATOM 1081 CB ASN A 73 8.477 6.902 6.609 1.00 0.00 C ATOM 1082 CG ASN A 73 9.866 7.148 7.203 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.573 8.071 6.833 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.215 6.275 8.144 1.00 0.00 N ATOM 0 H ASN A 73 6.744 5.901 8.083 1.00 0.00 H new ATOM 0 HA ASN A 73 7.905 8.404 8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.226 5.844 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.482 7.150 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.122 6.355 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.575 5.525 8.407 1.00 0.00 H new ATOM 1091 N VAL A 74 5.688 7.848 5.653 1.00 0.00 N ATOM 1092 CA VAL A 74 4.871 8.471 4.626 1.00 0.00 C ATOM 1093 C VAL A 74 3.761 9.290 5.290 1.00 0.00 C ATOM 1094 O VAL A 74 3.595 10.472 4.993 1.00 0.00 O ATOM 1095 CB VAL A 74 4.335 7.408 3.665 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.529 8.047 2.533 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.473 6.548 3.110 1.00 0.00 C ATOM 0 H VAL A 74 5.463 6.871 5.843 1.00 0.00 H new ATOM 0 HA VAL A 74 5.470 9.158 4.028 1.00 0.00 H new ATOM 0 HB VAL A 74 3.665 6.757 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.160 7.269 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.685 8.596 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.166 8.732 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.065 5.800 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.179 7.181 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.986 6.049 3.932 1.00 0.00 H new ATOM 1107 N LEU A 75 3.032 8.628 6.176 1.00 0.00 N ATOM 1108 CA LEU A 75 1.943 9.280 6.885 1.00 0.00 C ATOM 1109 C LEU A 75 2.412 10.648 7.384 1.00 0.00 C ATOM 1110 O LEU A 75 1.774 11.664 7.112 1.00 0.00 O ATOM 1111 CB LEU A 75 1.406 8.372 7.992 1.00 0.00 C ATOM 1112 CG LEU A 75 0.310 7.386 7.580 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.215 6.226 8.572 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.031 8.101 7.402 1.00 0.00 C ATOM 0 H LEU A 75 3.173 7.648 6.419 1.00 0.00 H new ATOM 0 HA LEU A 75 1.102 9.457 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.240 7.805 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.019 9.000 8.794 1.00 0.00 H new ATOM 0 HG LEU A 75 0.578 6.960 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.571 5.540 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.167 5.696 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.019 6.613 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.793 7.378 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.320 8.572 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.937 8.863 6.628 1.00 0.00 H new ATOM 1126 N LEU A 76 3.523 10.630 8.106 1.00 0.00 N ATOM 1127 CA LEU A 76 4.084 11.857 8.646 1.00 0.00 C ATOM 1128 C LEU A 76 4.343 12.840 7.503 1.00 0.00 C ATOM 1129 O LEU A 76 3.738 13.910 7.451 1.00 0.00 O ATOM 1130 CB LEU A 76 5.325 11.553 9.488 1.00 0.00 C ATOM 1131 CG LEU A 76 5.084 10.763 10.776 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.407 10.412 11.460 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.137 11.516 11.712 1.00 0.00 C ATOM 0 H LEU A 76 4.050 9.785 8.330 1.00 0.00 H new ATOM 0 HA LEU A 76 3.376 12.334 9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.031 10.997 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.803 12.497 9.748 1.00 0.00 H new ATOM 0 HG LEU A 76 4.598 9.823 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.207 9.851 12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.015 9.807 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.943 11.328 11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.983 10.933 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.572 12.481 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.180 11.671 11.214 1.00 0.00 H new ATOM 1145 N GLU A 77 5.242 12.443 6.615 1.00 0.00 N ATOM 1146 CA GLU A 77 5.588 13.276 5.476 1.00 0.00 C ATOM 1147 C GLU A 77 4.322 13.831 4.820 1.00 0.00 C ATOM 1148 O GLU A 77 4.111 15.043 4.797 1.00 0.00 O ATOM 1149 CB GLU A 77 6.434 12.499 4.465 1.00 0.00 C ATOM 1150 CG GLU A 77 7.836 13.100 4.346 1.00 0.00 C ATOM 1151 CD GLU A 77 8.297 13.133 2.887 1.00 0.00 C ATOM 1152 OE1 GLU A 77 7.751 13.972 2.138 1.00 0.00 O ATOM 1153 OE2 GLU A 77 9.184 12.319 2.554 1.00 0.00 O ATOM 0 H GLU A 77 5.742 11.555 6.661 1.00 0.00 H new ATOM 0 HA GLU A 77 6.186 14.114 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.507 11.456 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.945 12.511 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.838 14.110 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.538 12.515 4.940 1.00 0.00 H new ATOM 1160 N GLY A 78 3.513 12.918 4.303 1.00 0.00 N ATOM 1161 CA GLY A 78 2.274 13.302 3.648 1.00 0.00 C ATOM 1162 C GLY A 78 2.498 13.558 2.157 1.00 0.00 C ATOM 1163 O GLY A 78 3.634 13.540 1.684 1.00 0.00 O ATOM 0 H GLY A 78 3.691 11.914 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.531 12.515 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.873 14.200 4.118 1.00 0.00 H new ATOM 1167 N ASN A 79 1.397 13.792 1.457 1.00 0.00 N ATOM 1168 CA ASN A 79 1.459 14.052 0.029 1.00 0.00 C ATOM 1169 C ASN A 79 0.069 14.444 -0.475 1.00 0.00 C ATOM 1170 O ASN A 79 -0.908 13.741 -0.220 1.00 0.00 O ATOM 1171 CB ASN A 79 1.907 12.806 -0.739 1.00 0.00 C ATOM 1172 CG ASN A 79 1.189 11.557 -0.224 1.00 0.00 C ATOM 1173 OD1 ASN A 79 0.099 11.215 -0.652 1.00 0.00 O ATOM 1174 ND2 ASN A 79 1.859 10.898 0.717 1.00 0.00 N ATOM 0 H ASN A 79 0.457 13.807 1.853 1.00 0.00 H new ATOM 0 HA ASN A 79 2.177 14.855 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.701 12.936 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.985 12.679 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.464 10.051 1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.768 11.239 1.030 1.00 0.00 H new ATOM 1181 N PRO A 80 0.023 15.593 -1.199 1.00 0.00 N ATOM 1182 CA PRO A 80 -1.232 16.087 -1.741 1.00 0.00 C ATOM 1183 C PRO A 80 -1.666 15.264 -2.955 1.00 0.00 C ATOM 1184 O PRO A 80 -2.860 15.075 -3.186 1.00 0.00 O ATOM 1185 CB PRO A 80 -0.969 17.546 -2.076 1.00 0.00 C ATOM 1186 CG PRO A 80 0.543 17.692 -2.145 1.00 0.00 C ATOM 1187 CD PRO A 80 1.160 16.451 -1.521 1.00 0.00 C ATOM 0 HA PRO A 80 -2.059 15.997 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.431 17.818 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.391 18.203 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.869 17.802 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.865 18.587 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.844 15.959 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.733 16.700 -0.628 1.00 0.00 H new ATOM 1195 N ASP A 81 -0.675 14.797 -3.699 1.00 0.00 N ATOM 1196 CA ASP A 81 -0.940 13.998 -4.884 1.00 0.00 C ATOM 1197 C ASP A 81 0.246 13.066 -5.141 1.00 0.00 C ATOM 1198 O ASP A 81 0.077 11.851 -5.229 1.00 0.00 O ATOM 1199 CB ASP A 81 -1.119 14.885 -6.117 1.00 0.00 C ATOM 1200 CG ASP A 81 -0.082 16.000 -6.268 1.00 0.00 C ATOM 1201 OD1 ASP A 81 0.990 15.704 -6.838 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -0.386 17.123 -5.811 1.00 0.00 O ATOM 0 H ASP A 81 0.314 14.956 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.855 13.431 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.086 14.256 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.111 15.335 -6.081 1.00 0.00 H new ATOM 1207 N THR A 82 1.420 13.670 -5.254 1.00 0.00 N ATOM 1208 CA THR A 82 2.633 12.909 -5.499 1.00 0.00 C ATOM 1209 C THR A 82 2.421 11.925 -6.651 1.00 0.00 C ATOM 1210 O THR A 82 1.917 10.822 -6.445 1.00 0.00 O ATOM 1211 CB THR A 82 3.039 12.233 -4.188 1.00 0.00 C ATOM 1212 OG1 THR A 82 3.779 13.234 -3.495 1.00 0.00 O ATOM 1213 CG2 THR A 82 4.050 11.104 -4.401 1.00 0.00 C ATOM 0 H THR A 82 1.557 14.678 -5.180 1.00 0.00 H new ATOM 0 HA THR A 82 3.451 13.557 -5.814 1.00 0.00 H new ATOM 0 HB THR A 82 2.151 11.838 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.079 12.880 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.305 10.658 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.615 10.344 -5.050 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.951 11.505 -4.865 1.00 0.00 H new ATOM 1221 N HIS A 83 2.818 12.359 -7.838 1.00 0.00 N ATOM 1222 CA HIS A 83 2.679 11.530 -9.023 1.00 0.00 C ATOM 1223 C HIS A 83 3.971 11.582 -9.841 1.00 0.00 C ATOM 1224 O HIS A 83 4.584 12.639 -9.973 1.00 0.00 O ATOM 1225 CB HIS A 83 1.448 11.943 -9.833 1.00 0.00 C ATOM 1226 CG HIS A 83 1.725 12.998 -10.877 1.00 0.00 C ATOM 1227 ND1 HIS A 83 2.164 12.692 -12.154 1.00 0.00 N ATOM 1228 CD2 HIS A 83 1.621 14.357 -10.821 1.00 0.00 C ATOM 1229 CE1 HIS A 83 2.315 13.824 -12.826 1.00 0.00 C ATOM 1230 NE2 HIS A 83 1.978 14.854 -11.999 1.00 0.00 N ATOM 0 H HIS A 83 3.236 13.274 -8.005 1.00 0.00 H new ATOM 0 HA HIS A 83 2.518 10.493 -8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.036 11.061 -10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.684 12.314 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.302 14.931 -9.964 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.647 13.915 -13.850 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.997 15.844 -12.245 1.00 0.00 H new ATOM 1238 N SER A 84 4.346 10.425 -10.368 1.00 0.00 N ATOM 1239 CA SER A 84 5.554 10.325 -11.169 1.00 0.00 C ATOM 1240 C SER A 84 5.344 9.329 -12.311 1.00 0.00 C ATOM 1241 O SER A 84 5.850 8.209 -12.263 1.00 0.00 O ATOM 1242 CB SER A 84 6.750 9.905 -10.312 1.00 0.00 C ATOM 1243 OG SER A 84 7.991 10.167 -10.962 1.00 0.00 O ATOM 0 H SER A 84 3.835 9.550 -10.256 1.00 0.00 H new ATOM 0 HA SER A 84 5.769 11.308 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.719 10.437 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.677 8.841 -10.085 1.00 0.00 H new ATOM 0 HG SER A 84 8.730 9.886 -10.382 1.00 0.00 H new ATOM 1249 N TRP A 85 4.596 9.773 -13.310 1.00 0.00 N ATOM 1250 CA TRP A 85 4.312 8.934 -14.463 1.00 0.00 C ATOM 1251 C TRP A 85 3.610 9.796 -15.514 1.00 0.00 C ATOM 1252 O TRP A 85 4.002 9.802 -16.679 1.00 0.00 O ATOM 1253 CB TRP A 85 3.498 7.703 -14.058 1.00 0.00 C ATOM 1254 CG TRP A 85 2.097 8.028 -13.536 1.00 0.00 C ATOM 1255 CD1 TRP A 85 1.721 8.261 -12.271 1.00 0.00 C ATOM 1256 CD2 TRP A 85 0.893 8.148 -14.323 1.00 0.00 C ATOM 1257 NE1 TRP A 85 0.368 8.520 -12.185 1.00 0.00 N ATOM 1258 CE2 TRP A 85 -0.151 8.449 -13.473 1.00 0.00 C ATOM 1259 CE3 TRP A 85 0.693 8.006 -15.708 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 -1.468 8.635 -13.911 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 -0.628 8.194 -16.130 1.00 0.00 C ATOM 1262 CH2 TRP A 85 -1.691 8.498 -15.287 1.00 0.00 C ATOM 0 H TRP A 85 4.178 10.703 -13.346 1.00 0.00 H new ATOM 0 HA TRP A 85 5.235 8.544 -14.893 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.409 7.040 -14.918 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.043 7.156 -13.289 1.00 0.00 H new ATOM 0 HD1 TRP A 85 2.392 8.248 -11.425 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.155 8.726 -11.334 1.00 0.00 H new ATOM 0 HE3 TRP A 85 1.495 7.771 -16.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -2.268 8.871 -13.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.836 8.096 -17.185 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -2.684 8.628 -15.691 1.00 0.00 H new ATOM 1273 N GLU A 86 2.585 10.504 -15.063 1.00 0.00 N ATOM 1274 CA GLU A 86 1.824 11.368 -15.950 1.00 0.00 C ATOM 1275 C GLU A 86 2.743 12.408 -16.594 1.00 0.00 C ATOM 1276 O GLU A 86 3.261 13.291 -15.912 1.00 0.00 O ATOM 1277 CB GLU A 86 0.671 12.041 -15.204 1.00 0.00 C ATOM 1278 CG GLU A 86 -0.416 12.503 -16.176 1.00 0.00 C ATOM 1279 CD GLU A 86 -0.395 14.024 -16.342 1.00 0.00 C ATOM 1280 OE1 GLU A 86 -1.061 14.693 -15.523 1.00 0.00 O ATOM 1281 OE2 GLU A 86 0.288 14.483 -17.283 1.00 0.00 O ATOM 0 H GLU A 86 2.264 10.497 -14.095 1.00 0.00 H new ATOM 0 HA GLU A 86 1.392 10.755 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.245 11.345 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.047 12.895 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.269 12.026 -17.145 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.393 12.187 -15.811 1.00 0.00 H new ATOM 1288 N MET A 87 2.917 12.270 -17.900 1.00 0.00 N ATOM 1289 CA MET A 87 3.765 13.187 -18.643 1.00 0.00 C ATOM 1290 C MET A 87 5.050 13.493 -17.872 1.00 0.00 C ATOM 1291 O MET A 87 5.125 14.487 -17.152 1.00 0.00 O ATOM 1292 CB MET A 87 3.003 14.488 -18.904 1.00 0.00 C ATOM 1293 CG MET A 87 2.174 14.390 -20.186 1.00 0.00 C ATOM 1294 SD MET A 87 0.743 13.359 -19.910 1.00 0.00 S ATOM 1295 CE MET A 87 0.595 12.598 -21.518 1.00 0.00 C ATOM 0 H MET A 87 2.485 11.537 -18.463 1.00 0.00 H new ATOM 0 HA MET A 87 4.035 12.717 -19.589 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.349 14.706 -18.060 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.707 15.316 -18.984 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.860 15.385 -20.503 1.00 0.00 H new ATOM 0 HG3 MET A 87 2.781 13.976 -20.991 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.300 12.970 -22.016 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.472 12.842 -22.118 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.523 11.516 -21.403 1.00 0.00 H new ATOM 1305 N VAL A 88 6.031 12.619 -18.049 1.00 0.00 N ATOM 1306 CA VAL A 88 7.309 12.783 -17.379 1.00 0.00 C ATOM 1307 C VAL A 88 8.429 12.792 -18.421 1.00 0.00 C ATOM 1308 O VAL A 88 9.304 13.656 -18.390 1.00 0.00 O ATOM 1309 CB VAL A 88 7.488 11.694 -16.319 1.00 0.00 C ATOM 1310 CG1 VAL A 88 7.396 10.301 -16.943 1.00 0.00 C ATOM 1311 CG2 VAL A 88 8.809 11.873 -15.567 1.00 0.00 C ATOM 0 H VAL A 88 5.966 11.795 -18.647 1.00 0.00 H new ATOM 0 HA VAL A 88 7.345 13.738 -16.854 1.00 0.00 H new ATOM 0 HB VAL A 88 6.676 11.791 -15.598 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.527 9.546 -16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.420 10.176 -17.411 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.176 10.187 -17.696 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.912 11.086 -14.820 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.639 11.815 -16.271 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.818 12.845 -15.074 1.00 0.00 H new ATOM 1321 N GLY A 89 8.365 11.821 -19.320 1.00 0.00 N ATOM 1322 CA GLY A 89 9.363 11.706 -20.370 1.00 0.00 C ATOM 1323 C GLY A 89 9.168 12.789 -21.433 1.00 0.00 C ATOM 1324 O GLY A 89 8.936 12.483 -22.601 1.00 0.00 O ATOM 0 H GLY A 89 7.637 11.106 -19.343 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.361 11.790 -19.939 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.297 10.721 -20.833 1.00 0.00 H new ATOM 1328 N LYS A 90 9.268 14.034 -20.989 1.00 0.00 N ATOM 1329 CA LYS A 90 9.105 15.164 -21.887 1.00 0.00 C ATOM 1330 C LYS A 90 7.712 15.112 -22.518 1.00 0.00 C ATOM 1331 O LYS A 90 7.571 14.779 -23.693 1.00 0.00 O ATOM 1332 CB LYS A 90 10.242 15.203 -22.911 1.00 0.00 C ATOM 1333 CG LYS A 90 10.662 16.644 -23.208 1.00 0.00 C ATOM 1334 CD LYS A 90 9.690 17.308 -24.185 1.00 0.00 C ATOM 1335 CE LYS A 90 9.673 18.826 -23.996 1.00 0.00 C ATOM 1336 NZ LYS A 90 10.174 19.506 -25.211 1.00 0.00 N ATOM 0 H LYS A 90 9.460 14.284 -20.019 1.00 0.00 H new ATOM 0 HA LYS A 90 9.171 16.102 -21.335 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.096 14.642 -22.533 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.923 14.716 -23.833 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.697 17.215 -22.280 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.668 16.654 -23.627 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.978 17.069 -25.209 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.687 16.908 -24.034 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.659 19.160 -23.778 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.289 19.099 -23.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.156 20.536 -25.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.150 19.201 -25.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.569 19.260 -26.021 1.00 0.00 H new ATOM 1350 N LYS A 91 6.718 15.448 -21.708 1.00 0.00 N ATOM 1351 CA LYS A 91 5.341 15.444 -22.172 1.00 0.00 C ATOM 1352 C LYS A 91 5.099 14.197 -23.025 1.00 0.00 C ATOM 1353 O LYS A 91 4.836 14.301 -24.222 1.00 0.00 O ATOM 1354 CB LYS A 91 5.015 16.754 -22.891 1.00 0.00 C ATOM 1355 CG LYS A 91 3.561 16.769 -23.369 1.00 0.00 C ATOM 1356 CD LYS A 91 3.389 17.699 -24.572 1.00 0.00 C ATOM 1357 CE LYS A 91 2.938 19.092 -24.127 1.00 0.00 C ATOM 1358 NZ LYS A 91 3.525 20.131 -25.003 1.00 0.00 N ATOM 0 H LYS A 91 6.839 15.725 -20.734 1.00 0.00 H new ATOM 0 HA LYS A 91 4.654 15.391 -21.328 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.190 17.595 -22.220 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.683 16.882 -23.743 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.253 15.759 -23.639 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.911 17.095 -22.557 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.331 17.774 -25.116 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.656 17.278 -25.260 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.850 19.155 -24.156 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.240 19.266 -23.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.209 21.070 -24.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.563 20.080 -24.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.216 19.973 -25.984 1.00 0.00 H new ATOM 1372 N LYS A 92 5.196 13.046 -22.375 1.00 0.00 N ATOM 1373 CA LYS A 92 4.990 11.781 -23.059 1.00 0.00 C ATOM 1374 C LYS A 92 6.131 11.551 -24.052 1.00 0.00 C ATOM 1375 O LYS A 92 6.505 12.459 -24.793 1.00 0.00 O ATOM 1376 CB LYS A 92 3.600 11.737 -23.697 1.00 0.00 C ATOM 1377 CG LYS A 92 2.804 10.531 -23.194 1.00 0.00 C ATOM 1378 CD LYS A 92 1.654 10.197 -24.147 1.00 0.00 C ATOM 1379 CE LYS A 92 1.767 8.760 -24.659 1.00 0.00 C ATOM 1380 NZ LYS A 92 0.449 8.087 -24.608 1.00 0.00 N ATOM 0 H LYS A 92 5.414 12.963 -21.382 1.00 0.00 H new ATOM 0 HA LYS A 92 5.015 10.955 -22.348 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.061 12.655 -23.466 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.695 11.688 -24.782 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.464 9.669 -23.099 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.408 10.741 -22.200 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.701 10.330 -23.634 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.662 10.889 -24.989 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.142 8.761 -25.682 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.488 8.208 -24.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.543 7.113 -24.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.106 8.070 -23.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.229 8.605 -25.203 1.00 0.00 H new ATOM 1394 N GLY A 93 6.651 10.333 -24.035 1.00 0.00 N ATOM 1395 CA GLY A 93 7.742 9.973 -24.926 1.00 0.00 C ATOM 1396 C GLY A 93 7.788 8.461 -25.153 1.00 0.00 C ATOM 1397 O GLY A 93 8.605 7.764 -24.552 1.00 0.00 O ATOM 0 H GLY A 93 6.338 9.583 -23.419 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.620 10.484 -25.881 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.688 10.310 -24.503 1.00 0.00 H new ATOM 1401 N VAL A 94 6.900 7.997 -26.021 1.00 0.00 N ATOM 1402 CA VAL A 94 6.829 6.580 -26.334 1.00 0.00 C ATOM 1403 C VAL A 94 6.623 5.787 -25.043 1.00 0.00 C ATOM 1404 O VAL A 94 7.571 5.224 -24.497 1.00 0.00 O ATOM 1405 CB VAL A 94 8.079 6.152 -27.106 1.00 0.00 C ATOM 1406 CG1 VAL A 94 8.129 4.632 -27.269 1.00 0.00 C ATOM 1407 CG2 VAL A 94 8.151 6.852 -28.465 1.00 0.00 C ATOM 0 H VAL A 94 6.224 8.578 -26.517 1.00 0.00 H new ATOM 0 HA VAL A 94 5.977 6.374 -26.981 1.00 0.00 H new ATOM 0 HB VAL A 94 8.951 6.456 -26.526 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.027 4.355 -27.821 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.147 4.161 -26.286 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.248 4.296 -27.816 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.049 6.530 -28.993 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.271 6.594 -29.054 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.185 7.931 -28.317 1.00 0.00 H new ATOM 1417 N SER A 95 5.378 5.767 -24.591 1.00 0.00 N ATOM 1418 CA SER A 95 5.035 5.051 -23.374 1.00 0.00 C ATOM 1419 C SER A 95 5.574 3.621 -23.438 1.00 0.00 C ATOM 1420 O SER A 95 6.353 3.208 -22.581 1.00 0.00 O ATOM 1421 CB SER A 95 3.521 5.038 -23.150 1.00 0.00 C ATOM 1422 OG SER A 95 3.125 4.023 -22.232 1.00 0.00 O ATOM 0 H SER A 95 4.594 6.235 -25.046 1.00 0.00 H new ATOM 0 HA SER A 95 5.495 5.568 -22.532 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.202 6.010 -22.775 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.015 4.882 -24.103 1.00 0.00 H new ATOM 0 HG SER A 95 2.152 4.049 -22.115 1.00 0.00 H new ATOM 1428 N GLY A 96 5.137 2.903 -24.463 1.00 0.00 N ATOM 1429 CA GLY A 96 5.566 1.528 -24.650 1.00 0.00 C ATOM 1430 C GLY A 96 4.534 0.550 -24.085 1.00 0.00 C ATOM 1431 O GLY A 96 4.394 0.423 -22.870 1.00 0.00 O ATOM 0 H GLY A 96 4.490 3.248 -25.172 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.716 1.331 -25.712 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.526 1.373 -24.159 1.00 0.00 H new ATOM 1435 N GLN A 97 3.837 -0.117 -24.994 1.00 0.00 N ATOM 1436 CA GLN A 97 2.822 -1.079 -24.602 1.00 0.00 C ATOM 1437 C GLN A 97 3.399 -2.079 -23.598 1.00 0.00 C ATOM 1438 O GLN A 97 4.577 -2.425 -23.668 1.00 0.00 O ATOM 1439 CB GLN A 97 2.247 -1.799 -25.824 1.00 0.00 C ATOM 1440 CG GLN A 97 3.314 -2.658 -26.506 1.00 0.00 C ATOM 1441 CD GLN A 97 3.726 -2.055 -27.851 1.00 0.00 C ATOM 1442 OE1 GLN A 97 3.033 -1.235 -28.431 1.00 0.00 O ATOM 1443 NE2 GLN A 97 4.889 -2.505 -28.312 1.00 0.00 N ATOM 0 H GLN A 97 3.956 -0.010 -26.001 1.00 0.00 H new ATOM 0 HA GLN A 97 2.005 -0.541 -24.121 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.409 -2.427 -25.520 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.857 -1.067 -26.532 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.187 -2.742 -25.858 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.931 -3.667 -26.658 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.419 -3.192 -27.776 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.251 -2.163 -29.202 1.00 0.00 H new ATOM 1452 N LYS A 98 2.542 -2.515 -22.686 1.00 0.00 N ATOM 1453 CA LYS A 98 2.951 -3.469 -21.669 1.00 0.00 C ATOM 1454 C LYS A 98 1.942 -4.617 -21.617 1.00 0.00 C ATOM 1455 O LYS A 98 0.814 -4.436 -21.161 1.00 0.00 O ATOM 1456 CB LYS A 98 3.153 -2.765 -20.326 1.00 0.00 C ATOM 1457 CG LYS A 98 3.819 -3.698 -19.313 1.00 0.00 C ATOM 1458 CD LYS A 98 3.167 -3.567 -17.935 1.00 0.00 C ATOM 1459 CE LYS A 98 4.133 -2.939 -16.928 1.00 0.00 C ATOM 1460 NZ LYS A 98 3.451 -2.698 -15.637 1.00 0.00 N ATOM 0 H LYS A 98 1.566 -2.225 -22.630 1.00 0.00 H new ATOM 0 HA LYS A 98 3.917 -3.906 -21.922 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.768 -1.876 -20.466 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.191 -2.429 -19.939 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.743 -4.729 -19.658 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.881 -3.463 -19.241 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.268 -2.956 -18.011 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.856 -4.550 -17.581 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.989 -3.597 -16.777 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.519 -1.999 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.120 -2.272 -14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.649 -2.052 -15.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.104 -3.600 -15.254 1.00 0.00 H new ATOM 1474 N SER A 99 2.384 -5.773 -22.090 1.00 0.00 N ATOM 1475 CA SER A 99 1.533 -6.951 -22.103 1.00 0.00 C ATOM 1476 C SER A 99 2.353 -8.184 -22.487 1.00 0.00 C ATOM 1477 O SER A 99 3.494 -8.062 -22.929 1.00 0.00 O ATOM 1478 CB SER A 99 0.359 -6.772 -23.067 1.00 0.00 C ATOM 1479 OG SER A 99 0.795 -6.608 -24.414 1.00 0.00 O ATOM 0 H SER A 99 3.320 -5.919 -22.467 1.00 0.00 H new ATOM 0 HA SER A 99 1.126 -7.091 -21.101 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.299 -7.638 -23.002 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.227 -5.903 -22.767 1.00 0.00 H new ATOM 0 HG SER A 99 0.016 -6.498 -24.999 1.00 0.00 H new ATOM 1485 N GLY A 100 1.739 -9.344 -22.303 1.00 0.00 N ATOM 1486 CA GLY A 100 2.397 -10.599 -22.625 1.00 0.00 C ATOM 1487 C GLY A 100 1.552 -11.429 -23.593 1.00 0.00 C ATOM 1488 O GLY A 100 0.642 -12.143 -23.173 1.00 0.00 O ATOM 0 H GLY A 100 0.793 -9.441 -21.935 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.373 -10.399 -23.068 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.572 -11.167 -21.711 1.00 0.00 H new ATOM 1492 N PRO A 101 1.891 -11.305 -24.904 1.00 0.00 N ATOM 1493 CA PRO A 101 1.173 -12.036 -25.935 1.00 0.00 C ATOM 1494 C PRO A 101 1.570 -13.514 -25.936 1.00 0.00 C ATOM 1495 O PRO A 101 2.586 -13.888 -25.353 1.00 0.00 O ATOM 1496 CB PRO A 101 1.520 -11.327 -27.233 1.00 0.00 C ATOM 1497 CG PRO A 101 2.777 -10.521 -26.946 1.00 0.00 C ATOM 1498 CD PRO A 101 2.962 -10.470 -25.438 1.00 0.00 C ATOM 0 HA PRO A 101 0.095 -12.040 -25.775 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.691 -12.044 -28.036 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.705 -10.678 -27.553 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.643 -10.981 -27.422 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.687 -9.514 -27.354 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.942 -10.848 -25.146 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.891 -9.448 -25.065 1.00 0.00 H new ATOM 1506 N SER A 102 0.747 -14.314 -26.598 1.00 0.00 N ATOM 1507 CA SER A 102 0.999 -15.742 -26.683 1.00 0.00 C ATOM 1508 C SER A 102 0.877 -16.210 -28.134 1.00 0.00 C ATOM 1509 O SER A 102 -0.152 -15.998 -28.774 1.00 0.00 O ATOM 1510 CB SER A 102 0.034 -16.526 -25.790 1.00 0.00 C ATOM 1511 OG SER A 102 -1.325 -16.171 -26.032 1.00 0.00 O ATOM 0 H SER A 102 -0.095 -14.000 -27.081 1.00 0.00 H new ATOM 0 HA SER A 102 2.013 -15.931 -26.331 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.166 -17.594 -25.963 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.276 -16.340 -24.744 1.00 0.00 H new ATOM 0 HG SER A 102 -1.472 -16.079 -26.996 1.00 0.00 H new ATOM 1517 N SER A 103 1.942 -16.837 -28.611 1.00 0.00 N ATOM 1518 CA SER A 103 1.967 -17.337 -29.976 1.00 0.00 C ATOM 1519 C SER A 103 1.896 -18.865 -29.975 1.00 0.00 C ATOM 1520 O SER A 103 2.565 -19.521 -29.178 1.00 0.00 O ATOM 1521 CB SER A 103 3.223 -16.864 -30.712 1.00 0.00 C ATOM 1522 OG SER A 103 3.072 -16.940 -32.127 1.00 0.00 O ATOM 0 H SER A 103 2.794 -17.010 -28.077 1.00 0.00 H new ATOM 0 HA SER A 103 1.099 -16.940 -30.502 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.446 -15.836 -30.426 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.074 -17.472 -30.405 1.00 0.00 H new ATOM 0 HG SER A 103 3.894 -16.628 -32.561 1.00 0.00 H new ATOM 1528 N GLY A 104 1.080 -19.388 -30.878 1.00 0.00 N ATOM 1529 CA GLY A 104 0.913 -20.827 -30.992 1.00 0.00 C ATOM 1530 C GLY A 104 0.351 -21.417 -29.697 1.00 0.00 C ATOM 1531 O GLY A 104 0.598 -20.892 -28.613 1.00 0.00 O ATOM 0 H GLY A 104 0.527 -18.841 -31.538 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.243 -21.055 -31.821 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.872 -21.291 -31.221 1.00 0.00 H new TER 1535 GLY A 104