USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 57 SER OG : rot 163:sc= 0.122 USER MOD Set 1.2: A 78 HIS : no HE2:sc= -4.19! C(o=-4.1!,f=-8.5!) USER MOD Set 2.1: A 24 THR OG1 : rot -101:sc= 1.26 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.341 K(o=0.92,f=-9.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 10 SER OG : rot -50:sc= 0.249 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.335 F(o=-1.3!,f=-0.33) USER MOD Single : A 20 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.46) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.18) USER MOD Single : A 35 TYR OH : rot -10:sc= -3.58! USER MOD Single : A 37 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 100:sc= -5.16! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.3!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -3.98 F(o=-5.5!,f=-4) USER MOD Single : A 55 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 62 MET CE :methyl -174:sc= -1.19 (180deg=-1.49) USER MOD Single : A 63 THR OG1 : rot -91:sc= 0.493! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -4.49! C(o=-4.5!,f=-14!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.189 USER MOD Single : A 89 CYS SG : rot 70:sc= -1.92 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.033) USER MOD Single : A 98 TYR OH : rot 89:sc= 0.415 USER MOD Single : A 99 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-7.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 63:sc= 0.0122 USER MOD Single : A 108 SER OG : rot 180:sc= -0.244 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 33:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.050 -40.710 -20.658 1.00 0.00 N ATOM 2 CA GLY A 1 -33.181 -39.992 -21.575 1.00 0.00 C ATOM 3 C GLY A 1 -32.170 -39.133 -20.814 1.00 0.00 C ATOM 4 O GLY A 1 -31.431 -39.638 -19.971 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.727 -41.285 -21.199 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.477 -41.330 -20.050 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.569 -40.030 -20.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.654 -40.702 -22.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.781 -39.360 -22.230 1.00 0.00 H new ATOM 8 N SER A 2 -32.171 -37.848 -21.138 1.00 0.00 N ATOM 9 CA SER A 2 -31.263 -36.913 -20.495 1.00 0.00 C ATOM 10 C SER A 2 -32.057 -35.796 -19.816 1.00 0.00 C ATOM 11 O SER A 2 -32.510 -34.862 -20.477 1.00 0.00 O ATOM 12 CB SER A 2 -30.274 -36.325 -21.503 1.00 0.00 C ATOM 13 OG SER A 2 -29.543 -37.338 -22.188 1.00 0.00 O ATOM 0 H SER A 2 -32.786 -37.432 -21.837 1.00 0.00 H new ATOM 0 HA SER A 2 -30.692 -37.454 -19.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.814 -35.715 -22.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.579 -35.664 -20.985 1.00 0.00 H new ATOM 0 HG SER A 2 -28.924 -36.922 -22.823 1.00 0.00 H new ATOM 19 N SER A 3 -32.202 -35.928 -18.506 1.00 0.00 N ATOM 20 CA SER A 3 -32.934 -34.941 -17.730 1.00 0.00 C ATOM 21 C SER A 3 -32.613 -35.101 -16.243 1.00 0.00 C ATOM 22 O SER A 3 -32.698 -36.202 -15.701 1.00 0.00 O ATOM 23 CB SER A 3 -34.441 -35.063 -17.965 1.00 0.00 C ATOM 24 OG SER A 3 -35.031 -33.812 -18.309 1.00 0.00 O ATOM 0 H SER A 3 -31.825 -36.704 -17.962 1.00 0.00 H new ATOM 0 HA SER A 3 -32.622 -33.949 -18.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.626 -35.783 -18.762 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.918 -35.454 -17.066 1.00 0.00 H new ATOM 0 HG SER A 3 -35.993 -33.932 -18.453 1.00 0.00 H new ATOM 30 N GLY A 4 -32.251 -33.987 -15.625 1.00 0.00 N ATOM 31 CA GLY A 4 -31.917 -33.990 -14.211 1.00 0.00 C ATOM 32 C GLY A 4 -30.401 -33.980 -14.005 1.00 0.00 C ATOM 33 O GLY A 4 -29.709 -34.911 -14.415 1.00 0.00 O ATOM 0 H GLY A 4 -32.182 -33.076 -16.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.359 -33.119 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.346 -34.871 -13.734 1.00 0.00 H new ATOM 37 N SER A 5 -29.929 -32.917 -13.371 1.00 0.00 N ATOM 38 CA SER A 5 -28.507 -32.774 -13.106 1.00 0.00 C ATOM 39 C SER A 5 -28.286 -31.790 -11.955 1.00 0.00 C ATOM 40 O SER A 5 -29.135 -30.941 -11.688 1.00 0.00 O ATOM 41 CB SER A 5 -27.759 -32.306 -14.356 1.00 0.00 C ATOM 42 OG SER A 5 -26.353 -32.221 -14.135 1.00 0.00 O ATOM 0 H SER A 5 -30.506 -32.146 -13.033 1.00 0.00 H new ATOM 0 HA SER A 5 -28.111 -33.749 -12.823 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.956 -32.996 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.138 -31.331 -14.662 1.00 0.00 H new ATOM 0 HG SER A 5 -25.910 -31.921 -14.956 1.00 0.00 H new ATOM 48 N SER A 6 -27.141 -31.937 -11.306 1.00 0.00 N ATOM 49 CA SER A 6 -26.797 -31.072 -10.190 1.00 0.00 C ATOM 50 C SER A 6 -25.278 -30.908 -10.104 1.00 0.00 C ATOM 51 O SER A 6 -24.532 -31.677 -10.708 1.00 0.00 O ATOM 52 CB SER A 6 -27.347 -31.626 -8.874 1.00 0.00 C ATOM 53 OG SER A 6 -28.132 -30.663 -8.176 1.00 0.00 O ATOM 0 H SER A 6 -26.439 -32.642 -11.531 1.00 0.00 H new ATOM 0 HA SER A 6 -27.252 -30.096 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.953 -32.509 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.519 -31.946 -8.241 1.00 0.00 H new ATOM 0 HG SER A 6 -28.466 -31.055 -7.343 1.00 0.00 H new ATOM 59 N GLY A 7 -24.866 -29.901 -9.347 1.00 0.00 N ATOM 60 CA GLY A 7 -23.449 -29.627 -9.174 1.00 0.00 C ATOM 61 C GLY A 7 -23.222 -28.183 -8.720 1.00 0.00 C ATOM 62 O GLY A 7 -23.157 -27.273 -9.545 1.00 0.00 O ATOM 0 H GLY A 7 -25.488 -29.266 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.029 -30.314 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.923 -29.804 -10.112 1.00 0.00 H new ATOM 66 N LEU A 8 -23.108 -28.019 -7.411 1.00 0.00 N ATOM 67 CA LEU A 8 -22.890 -26.702 -6.838 1.00 0.00 C ATOM 68 C LEU A 8 -21.512 -26.661 -6.174 1.00 0.00 C ATOM 69 O LEU A 8 -20.952 -27.702 -5.834 1.00 0.00 O ATOM 70 CB LEU A 8 -24.037 -26.330 -5.896 1.00 0.00 C ATOM 71 CG LEU A 8 -25.160 -25.489 -6.505 1.00 0.00 C ATOM 72 CD1 LEU A 8 -26.396 -25.488 -5.604 1.00 0.00 C ATOM 73 CD2 LEU A 8 -24.676 -24.071 -6.816 1.00 0.00 C ATOM 0 H LEU A 8 -23.162 -28.777 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.891 -25.942 -7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -24.471 -27.250 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -23.622 -25.786 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 8 -25.453 -25.944 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.179 -24.883 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -26.755 -26.509 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -26.137 -25.071 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -25.494 -23.494 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -24.340 -23.592 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -23.849 -24.116 -7.525 1.00 0.00 H new ATOM 85 N GLU A 9 -21.004 -25.448 -6.011 1.00 0.00 N ATOM 86 CA GLU A 9 -19.702 -25.258 -5.395 1.00 0.00 C ATOM 87 C GLU A 9 -19.776 -24.167 -4.325 1.00 0.00 C ATOM 88 O GLU A 9 -19.485 -23.004 -4.598 1.00 0.00 O ATOM 89 CB GLU A 9 -18.642 -24.925 -6.446 1.00 0.00 C ATOM 90 CG GLU A 9 -17.740 -26.131 -6.717 1.00 0.00 C ATOM 91 CD GLU A 9 -16.698 -25.806 -7.789 1.00 0.00 C ATOM 92 OE1 GLU A 9 -16.078 -24.727 -7.670 1.00 0.00 O ATOM 93 OE2 GLU A 9 -16.545 -26.645 -8.704 1.00 0.00 O ATOM 0 H GLU A 9 -21.471 -24.587 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.409 -26.191 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.127 -24.614 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.038 -24.084 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.239 -26.429 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.346 -26.978 -7.039 1.00 0.00 H new ATOM 100 N SER A 10 -20.166 -24.582 -3.128 1.00 0.00 N ATOM 101 CA SER A 10 -20.282 -23.654 -2.016 1.00 0.00 C ATOM 102 C SER A 10 -19.105 -23.840 -1.055 1.00 0.00 C ATOM 103 O SER A 10 -19.163 -23.406 0.094 1.00 0.00 O ATOM 104 CB SER A 10 -21.607 -23.845 -1.275 1.00 0.00 C ATOM 105 OG SER A 10 -21.898 -22.750 -0.411 1.00 0.00 O ATOM 0 H SER A 10 -20.405 -25.548 -2.904 1.00 0.00 H new ATOM 0 HA SER A 10 -20.262 -22.639 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.414 -23.960 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 10 -21.567 -24.766 -0.693 1.00 0.00 H new ATOM 0 HG SER A 10 -21.115 -22.555 0.146 1.00 0.00 H new ATOM 111 N GLU A 11 -18.065 -24.486 -1.562 1.00 0.00 N ATOM 112 CA GLU A 11 -16.877 -24.734 -0.764 1.00 0.00 C ATOM 113 C GLU A 11 -16.294 -23.414 -0.256 1.00 0.00 C ATOM 114 O GLU A 11 -15.975 -22.527 -1.046 1.00 0.00 O ATOM 115 CB GLU A 11 -15.836 -25.523 -1.561 1.00 0.00 C ATOM 116 CG GLU A 11 -15.251 -24.674 -2.690 1.00 0.00 C ATOM 117 CD GLU A 11 -14.390 -25.524 -3.627 1.00 0.00 C ATOM 118 OE1 GLU A 11 -14.892 -26.588 -4.048 1.00 0.00 O ATOM 119 OE2 GLU A 11 -13.250 -25.091 -3.900 1.00 0.00 O ATOM 0 H GLU A 11 -18.021 -24.845 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.161 -25.338 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.037 -25.852 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.294 -26.421 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.058 -24.208 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.650 -23.868 -2.269 1.00 0.00 H new ATOM 126 N GLU A 12 -16.171 -23.327 1.061 1.00 0.00 N ATOM 127 CA GLU A 12 -15.631 -22.130 1.683 1.00 0.00 C ATOM 128 C GLU A 12 -14.935 -22.484 2.999 1.00 0.00 C ATOM 129 O GLU A 12 -15.594 -22.704 4.014 1.00 0.00 O ATOM 130 CB GLU A 12 -16.727 -21.086 1.907 1.00 0.00 C ATOM 131 CG GLU A 12 -16.137 -19.676 1.965 1.00 0.00 C ATOM 132 CD GLU A 12 -17.243 -18.621 2.033 1.00 0.00 C ATOM 133 OE1 GLU A 12 -18.010 -18.666 3.019 1.00 0.00 O ATOM 134 OE2 GLU A 12 -17.297 -17.793 1.098 1.00 0.00 O ATOM 0 H GLU A 12 -16.436 -24.065 1.713 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.893 -21.695 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.460 -21.145 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.255 -21.302 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.489 -19.585 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.516 -19.501 1.086 1.00 0.00 H new ATOM 141 N VAL A 13 -13.612 -22.529 2.939 1.00 0.00 N ATOM 142 CA VAL A 13 -12.820 -22.852 4.113 1.00 0.00 C ATOM 143 C VAL A 13 -11.527 -22.034 4.092 1.00 0.00 C ATOM 144 O VAL A 13 -10.963 -21.785 3.028 1.00 0.00 O ATOM 145 CB VAL A 13 -12.572 -24.361 4.177 1.00 0.00 C ATOM 146 CG1 VAL A 13 -11.557 -24.795 3.117 1.00 0.00 C ATOM 147 CG2 VAL A 13 -12.118 -24.783 5.576 1.00 0.00 C ATOM 0 H VAL A 13 -13.069 -22.347 2.095 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.358 -22.585 5.022 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.515 -24.865 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.399 -25.871 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.936 -24.545 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.612 -24.278 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.949 -25.860 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.193 -24.266 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.889 -24.525 6.302 1.00 0.00 H new ATOM 157 N ASP A 14 -11.096 -21.639 5.281 1.00 0.00 N ATOM 158 CA ASP A 14 -9.880 -20.854 5.412 1.00 0.00 C ATOM 159 C ASP A 14 -9.490 -20.770 6.889 1.00 0.00 C ATOM 160 O ASP A 14 -10.325 -20.466 7.740 1.00 0.00 O ATOM 161 CB ASP A 14 -10.086 -19.429 4.896 1.00 0.00 C ATOM 162 CG ASP A 14 -8.969 -18.445 5.250 1.00 0.00 C ATOM 163 OD1 ASP A 14 -7.909 -18.929 5.704 1.00 0.00 O ATOM 164 OD2 ASP A 14 -9.200 -17.231 5.059 1.00 0.00 O ATOM 0 H ASP A 14 -11.567 -21.848 6.162 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.100 -21.340 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.190 -19.463 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.026 -19.047 5.294 1.00 0.00 H new ATOM 169 N LEU A 15 -8.220 -21.045 7.150 1.00 0.00 N ATOM 170 CA LEU A 15 -7.709 -21.005 8.509 1.00 0.00 C ATOM 171 C LEU A 15 -6.512 -20.054 8.571 1.00 0.00 C ATOM 172 O LEU A 15 -6.634 -18.927 9.050 1.00 0.00 O ATOM 173 CB LEU A 15 -7.398 -22.417 9.008 1.00 0.00 C ATOM 174 CG LEU A 15 -7.831 -22.734 10.441 1.00 0.00 C ATOM 175 CD1 LEU A 15 -7.001 -21.940 11.452 1.00 0.00 C ATOM 176 CD2 LEU A 15 -9.332 -22.502 10.624 1.00 0.00 C ATOM 0 H LEU A 15 -7.530 -21.297 6.442 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.466 -20.612 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.878 -23.131 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.323 -22.580 8.930 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.643 -23.791 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.329 -22.183 12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.948 -22.197 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.135 -20.873 11.274 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.614 -22.735 11.651 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.568 -21.459 10.410 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.886 -23.146 9.941 1.00 0.00 H new ATOM 188 N ASN A 16 -5.383 -20.542 8.081 1.00 0.00 N ATOM 189 CA ASN A 16 -4.165 -19.750 8.075 1.00 0.00 C ATOM 190 C ASN A 16 -4.143 -18.866 6.826 1.00 0.00 C ATOM 191 O ASN A 16 -3.660 -17.736 6.870 1.00 0.00 O ATOM 192 CB ASN A 16 -2.925 -20.646 8.041 1.00 0.00 C ATOM 193 CG ASN A 16 -3.068 -21.742 6.983 1.00 0.00 C ATOM 194 OD1 ASN A 16 -3.672 -22.842 7.422 1.00 0.00 O flip ATOM 195 ND2 ASN A 16 -2.658 -21.597 5.843 1.00 0.00 N flip ATOM 0 H ASN A 16 -5.286 -21.477 7.685 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.150 -19.148 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.042 -20.043 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.773 -21.099 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.203 -20.725 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.770 -22.347 5.161 1.00 0.00 H new ATOM 202 N ALA A 17 -4.672 -19.415 5.742 1.00 0.00 N ATOM 203 CA ALA A 17 -4.720 -18.690 4.484 1.00 0.00 C ATOM 204 C ALA A 17 -5.120 -17.238 4.751 1.00 0.00 C ATOM 205 O ALA A 17 -4.446 -16.312 4.303 1.00 0.00 O ATOM 206 CB ALA A 17 -5.683 -19.393 3.526 1.00 0.00 C ATOM 0 H ALA A 17 -5.071 -20.353 5.709 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.738 -18.679 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.719 -18.849 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.338 -20.411 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.679 -19.421 3.967 1.00 0.00 H new ATOM 212 N GLY A 18 -6.215 -17.084 5.481 1.00 0.00 N ATOM 213 CA GLY A 18 -6.713 -15.760 5.814 1.00 0.00 C ATOM 214 C GLY A 18 -5.652 -14.946 6.558 1.00 0.00 C ATOM 215 O GLY A 18 -5.322 -13.833 6.152 1.00 0.00 O ATOM 0 H GLY A 18 -6.771 -17.854 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.005 -15.238 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.607 -15.848 6.431 1.00 0.00 H new ATOM 219 N LEU A 19 -5.148 -15.533 7.633 1.00 0.00 N ATOM 220 CA LEU A 19 -4.131 -14.877 8.437 1.00 0.00 C ATOM 221 C LEU A 19 -3.048 -14.309 7.518 1.00 0.00 C ATOM 222 O LEU A 19 -2.740 -13.120 7.577 1.00 0.00 O ATOM 223 CB LEU A 19 -3.593 -15.831 9.505 1.00 0.00 C ATOM 224 CG LEU A 19 -4.430 -15.951 10.780 1.00 0.00 C ATOM 225 CD1 LEU A 19 -4.112 -17.249 11.525 1.00 0.00 C ATOM 226 CD2 LEU A 19 -4.250 -14.721 11.671 1.00 0.00 C ATOM 0 H LEU A 19 -5.425 -16.456 7.966 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.561 -14.036 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.497 -16.823 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.590 -15.506 9.782 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.481 -15.992 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.721 -17.309 12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.332 -18.101 10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.057 -17.263 11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.856 -14.832 12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.201 -14.624 11.950 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.565 -13.830 11.129 1.00 0.00 H new ATOM 238 N HIS A 20 -2.500 -15.186 6.690 1.00 0.00 N ATOM 239 CA HIS A 20 -1.458 -14.787 5.759 1.00 0.00 C ATOM 240 C HIS A 20 -1.877 -13.504 5.039 1.00 0.00 C ATOM 241 O HIS A 20 -1.253 -12.458 5.213 1.00 0.00 O ATOM 242 CB HIS A 20 -1.125 -15.927 4.795 1.00 0.00 C ATOM 243 CG HIS A 20 -0.198 -16.970 5.372 1.00 0.00 C ATOM 244 ND1 HIS A 20 1.162 -16.987 5.117 1.00 0.00 N ATOM 245 CD2 HIS A 20 -0.449 -18.028 6.194 1.00 0.00 C ATOM 246 CE1 HIS A 20 1.695 -18.015 5.761 1.00 0.00 C ATOM 247 NE2 HIS A 20 0.695 -18.659 6.428 1.00 0.00 N ATOM 0 H HIS A 20 -2.758 -16.172 6.644 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.540 -14.572 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.052 -16.411 4.487 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.670 -15.508 3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.415 -18.306 6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.738 -18.294 5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.808 -19.489 7.011 1.00 0.00 H new ATOM 255 N GLY A 21 -2.931 -13.626 4.246 1.00 0.00 N ATOM 256 CA GLY A 21 -3.440 -12.488 3.498 1.00 0.00 C ATOM 257 C GLY A 21 -2.552 -12.184 2.291 1.00 0.00 C ATOM 258 O GLY A 21 -1.397 -11.792 2.448 1.00 0.00 O ATOM 0 H GLY A 21 -3.447 -14.495 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.457 -12.694 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.489 -11.614 4.147 1.00 0.00 H new ATOM 262 N ASN A 22 -3.125 -12.375 1.112 1.00 0.00 N ATOM 263 CA ASN A 22 -2.400 -12.125 -0.123 1.00 0.00 C ATOM 264 C ASN A 22 -2.560 -10.655 -0.515 1.00 0.00 C ATOM 265 O ASN A 22 -3.144 -10.346 -1.553 1.00 0.00 O ATOM 266 CB ASN A 22 -2.947 -12.982 -1.266 1.00 0.00 C ATOM 267 CG ASN A 22 -1.824 -13.763 -1.952 1.00 0.00 C ATOM 268 OD1 ASN A 22 -1.748 -14.978 -1.887 1.00 0.00 O ATOM 269 ND2 ASN A 22 -0.959 -12.998 -2.612 1.00 0.00 N ATOM 0 H ASN A 22 -4.083 -12.700 0.985 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.352 -12.374 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.694 -13.676 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.450 -12.345 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.173 -13.424 -3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.081 -11.985 -2.626 1.00 0.00 H new ATOM 276 N TRP A 23 -2.032 -9.788 0.336 1.00 0.00 N ATOM 277 CA TRP A 23 -2.109 -8.358 0.091 1.00 0.00 C ATOM 278 C TRP A 23 -0.685 -7.834 -0.104 1.00 0.00 C ATOM 279 O TRP A 23 -0.041 -7.404 0.851 1.00 0.00 O ATOM 280 CB TRP A 23 -2.857 -7.648 1.221 1.00 0.00 C ATOM 281 CG TRP A 23 -4.358 -7.942 1.255 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.090 -8.381 2.288 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.287 -7.799 0.160 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.417 -8.531 1.940 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.540 -8.166 0.605 1.00 0.00 C ATOM 286 CE3 TRP A 23 -5.075 -7.374 -1.164 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.680 -8.145 -0.209 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -6.223 -7.359 -1.964 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.492 -7.725 -1.531 1.00 0.00 C ATOM 0 H TRP A 23 -1.549 -10.048 1.196 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.683 -8.152 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.418 -7.942 2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.710 -6.573 1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.692 -8.591 3.270 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.169 -8.851 2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.103 -7.082 -1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.651 -8.437 0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.115 -7.041 -2.990 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.330 -7.686 -2.212 1.00 0.00 H new ATOM 300 N THR A 24 -0.234 -7.887 -1.349 1.00 0.00 N ATOM 301 CA THR A 24 1.102 -7.424 -1.683 1.00 0.00 C ATOM 302 C THR A 24 1.051 -5.992 -2.220 1.00 0.00 C ATOM 303 O THR A 24 0.062 -5.589 -2.830 1.00 0.00 O ATOM 304 CB THR A 24 1.717 -8.421 -2.666 1.00 0.00 C ATOM 305 OG1 THR A 24 1.128 -8.081 -3.919 1.00 0.00 O ATOM 306 CG2 THR A 24 1.251 -9.856 -2.413 1.00 0.00 C ATOM 0 H THR A 24 -0.771 -8.244 -2.139 1.00 0.00 H new ATOM 0 HA THR A 24 1.739 -7.384 -0.799 1.00 0.00 H new ATOM 0 HB THR A 24 2.804 -8.375 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.406 -8.712 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.717 -10.523 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.536 -10.159 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.167 -9.910 -2.515 1.00 0.00 H new ATOM 314 N LEU A 25 2.130 -5.263 -1.975 1.00 0.00 N ATOM 315 CA LEU A 25 2.221 -3.885 -2.427 1.00 0.00 C ATOM 316 C LEU A 25 1.491 -3.743 -3.764 1.00 0.00 C ATOM 317 O LEU A 25 0.838 -2.730 -4.014 1.00 0.00 O ATOM 318 CB LEU A 25 3.681 -3.432 -2.472 1.00 0.00 C ATOM 319 CG LEU A 25 4.264 -2.915 -1.155 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.697 -3.415 -0.957 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.172 -1.390 -1.075 1.00 0.00 C ATOM 0 H LEU A 25 2.949 -5.601 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 25 1.726 -3.218 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.290 -4.269 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.774 -2.646 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 25 3.667 -3.316 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.088 -3.034 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.703 -4.505 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.322 -3.063 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.593 -1.049 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.730 -0.948 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.128 -1.085 -1.138 1.00 0.00 H new ATOM 333 N GLU A 26 1.625 -4.771 -4.588 1.00 0.00 N ATOM 334 CA GLU A 26 0.987 -4.773 -5.893 1.00 0.00 C ATOM 335 C GLU A 26 -0.533 -4.862 -5.740 1.00 0.00 C ATOM 336 O GLU A 26 -1.255 -3.950 -6.141 1.00 0.00 O ATOM 337 CB GLU A 26 1.518 -5.915 -6.762 1.00 0.00 C ATOM 338 CG GLU A 26 1.963 -5.400 -8.132 1.00 0.00 C ATOM 339 CD GLU A 26 1.138 -6.037 -9.252 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.169 -7.283 -9.341 1.00 0.00 O ATOM 341 OE2 GLU A 26 0.494 -5.263 -9.993 1.00 0.00 O ATOM 0 H GLU A 26 2.167 -5.609 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 26 1.229 -3.836 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.357 -6.398 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.743 -6.671 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.857 -4.316 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.019 -5.622 -8.282 1.00 0.00 H new ATOM 348 N ASN A 27 -0.974 -5.968 -5.160 1.00 0.00 N ATOM 349 CA ASN A 27 -2.395 -6.188 -4.950 1.00 0.00 C ATOM 350 C ASN A 27 -3.003 -4.954 -4.280 1.00 0.00 C ATOM 351 O ASN A 27 -3.837 -4.270 -4.871 1.00 0.00 O ATOM 352 CB ASN A 27 -2.637 -7.390 -4.035 1.00 0.00 C ATOM 353 CG ASN A 27 -2.053 -8.667 -4.642 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.106 -9.249 -4.138 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.668 -9.070 -5.750 1.00 0.00 N ATOM 0 H ASN A 27 -0.372 -6.722 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.855 -6.375 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.185 -7.207 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.707 -7.517 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.353 -9.913 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.455 -8.537 -6.119 1.00 0.00 H new ATOM 362 N ALA A 28 -2.563 -4.708 -3.055 1.00 0.00 N ATOM 363 CA ALA A 28 -3.054 -3.569 -2.298 1.00 0.00 C ATOM 364 C ALA A 28 -3.287 -2.393 -3.249 1.00 0.00 C ATOM 365 O ALA A 28 -4.389 -1.850 -3.311 1.00 0.00 O ATOM 366 CB ALA A 28 -2.061 -3.229 -1.184 1.00 0.00 C ATOM 0 H ALA A 28 -1.872 -5.278 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.007 -3.805 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.430 -2.375 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.952 -4.086 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.093 -2.984 -1.622 1.00 0.00 H new ATOM 372 N LYS A 29 -2.233 -2.034 -3.966 1.00 0.00 N ATOM 373 CA LYS A 29 -2.309 -0.933 -4.910 1.00 0.00 C ATOM 374 C LYS A 29 -3.515 -1.138 -5.829 1.00 0.00 C ATOM 375 O LYS A 29 -4.530 -0.457 -5.689 1.00 0.00 O ATOM 376 CB LYS A 29 -0.984 -0.776 -5.659 1.00 0.00 C ATOM 377 CG LYS A 29 -1.149 0.128 -6.882 1.00 0.00 C ATOM 378 CD LYS A 29 -0.036 1.176 -6.943 1.00 0.00 C ATOM 379 CE LYS A 29 -0.609 2.591 -6.844 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.108 3.432 -7.954 1.00 0.00 N ATOM 0 H LYS A 29 -1.321 -2.487 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.464 0.009 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.232 -0.356 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.621 -1.755 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.135 -0.476 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.119 0.624 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.671 1.008 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.519 1.069 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.698 2.552 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.331 3.036 -5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.507 4.389 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.930 3.484 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.395 3.015 -8.862 1.00 0.00 H new ATOM 394 N ALA A 30 -3.363 -2.078 -6.750 1.00 0.00 N ATOM 395 CA ALA A 30 -4.427 -2.381 -7.692 1.00 0.00 C ATOM 396 C ALA A 30 -5.768 -2.391 -6.955 1.00 0.00 C ATOM 397 O ALA A 30 -6.632 -1.556 -7.219 1.00 0.00 O ATOM 398 CB ALA A 30 -4.133 -3.714 -8.384 1.00 0.00 C ATOM 0 H ALA A 30 -2.519 -2.640 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.482 -1.616 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.931 -3.941 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.185 -3.646 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.073 -4.506 -7.638 1.00 0.00 H new ATOM 404 N ARG A 31 -5.900 -3.345 -6.046 1.00 0.00 N ATOM 405 CA ARG A 31 -7.121 -3.475 -5.268 1.00 0.00 C ATOM 406 C ARG A 31 -7.669 -2.093 -4.907 1.00 0.00 C ATOM 407 O ARG A 31 -8.805 -1.763 -5.244 1.00 0.00 O ATOM 408 CB ARG A 31 -6.875 -4.270 -3.985 1.00 0.00 C ATOM 409 CG ARG A 31 -8.113 -5.082 -3.598 1.00 0.00 C ATOM 410 CD ARG A 31 -9.043 -4.268 -2.695 1.00 0.00 C ATOM 411 NE ARG A 31 -10.151 -5.121 -2.210 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.195 -5.496 -2.962 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.279 -5.097 -4.238 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.154 -6.271 -2.437 1.00 0.00 N ATOM 0 H ARG A 31 -5.181 -4.036 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.848 -4.010 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.026 -4.939 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.614 -3.589 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.648 -5.386 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.808 -5.994 -3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.484 -3.868 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.443 -3.416 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.118 -5.444 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.548 -4.508 -4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.074 -5.382 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.089 -6.575 -1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.949 -6.557 -3.009 1.00 0.00 H new ATOM 428 N LEU A 32 -6.835 -1.321 -4.225 1.00 0.00 N ATOM 429 CA LEU A 32 -7.222 0.018 -3.814 1.00 0.00 C ATOM 430 C LEU A 32 -8.021 0.682 -4.938 1.00 0.00 C ATOM 431 O LEU A 32 -9.148 1.126 -4.724 1.00 0.00 O ATOM 432 CB LEU A 32 -5.995 0.820 -3.376 1.00 0.00 C ATOM 433 CG LEU A 32 -6.276 2.111 -2.604 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.259 1.861 -1.458 1.00 0.00 C ATOM 435 CD2 LEU A 32 -4.976 2.752 -2.116 1.00 0.00 C ATOM 0 H LEU A 32 -5.893 -1.597 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.874 -0.026 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.369 0.178 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.414 1.070 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.748 2.820 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.442 2.794 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.199 1.483 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.838 1.127 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.204 3.668 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.453 2.058 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.343 2.988 -2.971 1.00 0.00 H new ATOM 447 N ASN A 33 -7.406 0.727 -6.110 1.00 0.00 N ATOM 448 CA ASN A 33 -8.045 1.328 -7.268 1.00 0.00 C ATOM 449 C ASN A 33 -9.388 0.640 -7.518 1.00 0.00 C ATOM 450 O ASN A 33 -10.390 1.303 -7.784 1.00 0.00 O ATOM 451 CB ASN A 33 -7.186 1.158 -8.522 1.00 0.00 C ATOM 452 CG ASN A 33 -6.348 2.411 -8.787 1.00 0.00 C ATOM 453 OD1 ASN A 33 -5.401 2.716 -8.081 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.748 3.117 -9.840 1.00 0.00 N ATOM 0 H ASN A 33 -6.471 0.357 -6.283 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.180 2.390 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.530 0.296 -8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.826 0.956 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.254 3.971 -10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.549 2.805 -10.389 1.00 0.00 H new ATOM 461 N GLN A 34 -9.366 -0.681 -7.424 1.00 0.00 N ATOM 462 CA GLN A 34 -10.570 -1.467 -7.637 1.00 0.00 C ATOM 463 C GLN A 34 -11.661 -1.045 -6.651 1.00 0.00 C ATOM 464 O GLN A 34 -12.794 -0.778 -7.049 1.00 0.00 O ATOM 465 CB GLN A 34 -10.276 -2.964 -7.521 1.00 0.00 C ATOM 466 CG GLN A 34 -9.978 -3.572 -8.893 1.00 0.00 C ATOM 467 CD GLN A 34 -11.233 -4.209 -9.494 1.00 0.00 C ATOM 468 OE1 GLN A 34 -11.895 -5.034 -8.885 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.523 -3.782 -10.719 1.00 0.00 N ATOM 0 H GLN A 34 -8.534 -1.227 -7.203 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.929 -1.278 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.426 -3.121 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.129 -3.472 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.601 -2.799 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.194 -4.323 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.927 -3.089 -11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.342 -4.147 -11.206 1.00 0.00 H new ATOM 478 N TYR A 35 -11.281 -0.997 -5.382 1.00 0.00 N ATOM 479 CA TYR A 35 -12.213 -0.611 -4.336 1.00 0.00 C ATOM 480 C TYR A 35 -12.877 0.729 -4.659 1.00 0.00 C ATOM 481 O TYR A 35 -14.041 0.945 -4.326 1.00 0.00 O ATOM 482 CB TYR A 35 -11.378 -0.459 -3.063 1.00 0.00 C ATOM 483 CG TYR A 35 -12.132 0.185 -1.898 1.00 0.00 C ATOM 484 CD1 TYR A 35 -12.923 -0.590 -1.075 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.021 1.542 -1.671 1.00 0.00 C ATOM 486 CE1 TYR A 35 -13.632 0.017 0.022 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.730 2.149 -0.574 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.501 1.356 0.218 1.00 0.00 C ATOM 489 OH TYR A 35 -14.171 1.929 1.254 1.00 0.00 O ATOM 0 H TYR A 35 -10.341 -1.219 -5.055 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.003 -1.355 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.023 -1.442 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.497 0.141 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.011 -1.652 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.403 2.149 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.254 -0.578 0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.651 3.209 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.802 1.282 1.633 1.00 0.00 H new ATOM 499 N PHE A 36 -12.108 1.593 -5.305 1.00 0.00 N ATOM 500 CA PHE A 36 -12.607 2.906 -5.677 1.00 0.00 C ATOM 501 C PHE A 36 -13.365 2.848 -7.005 1.00 0.00 C ATOM 502 O PHE A 36 -14.142 3.748 -7.319 1.00 0.00 O ATOM 503 CB PHE A 36 -11.389 3.818 -5.838 1.00 0.00 C ATOM 504 CG PHE A 36 -10.659 4.119 -4.528 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.364 4.249 -3.371 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.306 4.257 -4.519 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.686 4.529 -2.155 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.629 4.537 -3.302 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.334 4.667 -2.146 1.00 0.00 C ATOM 0 H PHE A 36 -11.143 1.410 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.293 3.274 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.690 3.353 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.709 4.758 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.438 4.139 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.746 4.154 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.245 4.632 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.555 4.647 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.819 4.880 -1.221 1.00 0.00 H new ATOM 519 N GLN A 37 -13.112 1.781 -7.748 1.00 0.00 N ATOM 520 CA GLN A 37 -13.762 1.594 -9.034 1.00 0.00 C ATOM 521 C GLN A 37 -15.136 0.949 -8.846 1.00 0.00 C ATOM 522 O GLN A 37 -16.106 1.347 -9.490 1.00 0.00 O ATOM 523 CB GLN A 37 -12.888 0.760 -9.973 1.00 0.00 C ATOM 524 CG GLN A 37 -12.072 1.658 -10.905 1.00 0.00 C ATOM 525 CD GLN A 37 -12.550 1.524 -12.352 1.00 0.00 C ATOM 526 OE1 GLN A 37 -13.142 0.534 -12.749 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.261 2.574 -13.117 1.00 0.00 N ATOM 0 H GLN A 37 -12.466 1.037 -7.484 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.902 2.572 -9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.217 0.131 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.516 0.093 -10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.159 2.696 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.017 1.392 -10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.763 3.371 -12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.538 2.581 -14.099 1.00 0.00 H new ATOM 536 N LYS A 38 -15.176 -0.036 -7.961 1.00 0.00 N ATOM 537 CA LYS A 38 -16.416 -0.740 -7.681 1.00 0.00 C ATOM 538 C LYS A 38 -17.350 0.177 -6.889 1.00 0.00 C ATOM 539 O LYS A 38 -18.514 0.345 -7.251 1.00 0.00 O ATOM 540 CB LYS A 38 -16.129 -2.074 -6.987 1.00 0.00 C ATOM 541 CG LYS A 38 -16.224 -3.238 -7.975 1.00 0.00 C ATOM 542 CD LYS A 38 -17.681 -3.523 -8.348 1.00 0.00 C ATOM 543 CE LYS A 38 -17.772 -4.657 -9.371 1.00 0.00 C ATOM 544 NZ LYS A 38 -17.932 -4.111 -10.737 1.00 0.00 N ATOM 0 H LYS A 38 -14.370 -0.363 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.929 -0.993 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.134 -2.050 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.838 -2.224 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.654 -3.004 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.776 -4.130 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.244 -3.789 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.139 -2.622 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.873 -5.272 -9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.615 -5.305 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.992 -4.894 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.802 -3.543 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.114 -3.512 -10.969 1.00 0.00 H new ATOM 558 N GLU A 39 -16.806 0.746 -5.824 1.00 0.00 N ATOM 559 CA GLU A 39 -17.576 1.642 -4.978 1.00 0.00 C ATOM 560 C GLU A 39 -17.856 2.955 -5.712 1.00 0.00 C ATOM 561 O GLU A 39 -18.699 3.741 -5.284 1.00 0.00 O ATOM 562 CB GLU A 39 -16.858 1.897 -3.652 1.00 0.00 C ATOM 563 CG GLU A 39 -16.955 0.678 -2.732 1.00 0.00 C ATOM 564 CD GLU A 39 -16.621 -0.609 -3.490 1.00 0.00 C ATOM 565 OE1 GLU A 39 -17.544 -1.136 -4.148 1.00 0.00 O ATOM 566 OE2 GLU A 39 -15.450 -1.036 -3.395 1.00 0.00 O ATOM 0 H GLU A 39 -15.841 0.604 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.529 1.165 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.811 2.132 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.295 2.765 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.271 0.797 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.961 0.610 -2.318 1.00 0.00 H new ATOM 573 N LYS A 40 -17.131 3.152 -6.803 1.00 0.00 N ATOM 574 CA LYS A 40 -17.291 4.356 -7.600 1.00 0.00 C ATOM 575 C LYS A 40 -16.735 5.553 -6.825 1.00 0.00 C ATOM 576 O LYS A 40 -17.095 6.696 -7.100 1.00 0.00 O ATOM 577 CB LYS A 40 -18.749 4.526 -8.029 1.00 0.00 C ATOM 578 CG LYS A 40 -19.364 3.182 -8.426 1.00 0.00 C ATOM 579 CD LYS A 40 -18.886 2.749 -9.814 1.00 0.00 C ATOM 580 CE LYS A 40 -20.054 2.679 -10.799 1.00 0.00 C ATOM 581 NZ LYS A 40 -20.392 4.031 -11.299 1.00 0.00 N ATOM 0 H LYS A 40 -16.431 2.498 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.718 4.279 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.323 4.966 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.806 5.219 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.094 2.423 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.451 3.259 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.138 3.452 -10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.402 1.774 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.794 2.030 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.923 2.237 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.187 3.966 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.660 4.640 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.566 4.439 -11.783 1.00 0.00 H new ATOM 595 N ILE A 41 -15.865 5.248 -5.873 1.00 0.00 N ATOM 596 CA ILE A 41 -15.256 6.284 -5.056 1.00 0.00 C ATOM 597 C ILE A 41 -14.065 6.883 -5.806 1.00 0.00 C ATOM 598 O ILE A 41 -13.583 6.304 -6.778 1.00 0.00 O ATOM 599 CB ILE A 41 -14.900 5.736 -3.673 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.156 5.310 -2.911 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.064 6.744 -2.882 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.830 4.238 -1.870 1.00 0.00 C ATOM 0 H ILE A 41 -15.567 4.298 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.963 7.095 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.287 4.844 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.598 6.176 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.898 4.927 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.825 6.329 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.141 6.955 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.630 7.667 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.741 3.954 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.410 3.364 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.106 4.632 -1.157 1.00 0.00 H new ATOM 614 N GLN A 42 -13.624 8.037 -5.326 1.00 0.00 N ATOM 615 CA GLN A 42 -12.498 8.721 -5.938 1.00 0.00 C ATOM 616 C GLN A 42 -11.451 9.073 -4.880 1.00 0.00 C ATOM 617 O GLN A 42 -11.778 9.653 -3.846 1.00 0.00 O ATOM 618 CB GLN A 42 -12.959 9.971 -6.690 1.00 0.00 C ATOM 619 CG GLN A 42 -13.833 9.599 -7.889 1.00 0.00 C ATOM 620 CD GLN A 42 -14.075 10.813 -8.789 1.00 0.00 C ATOM 621 OE1 GLN A 42 -13.218 11.236 -9.547 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.287 11.347 -8.663 1.00 0.00 N ATOM 0 H GLN A 42 -14.027 8.515 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.041 8.048 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.518 10.620 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.091 10.536 -7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.352 8.807 -8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.787 9.205 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.957 10.943 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.546 12.161 -9.221 1.00 0.00 H new ATOM 631 N GLY A 43 -10.212 8.706 -5.174 1.00 0.00 N ATOM 632 CA GLY A 43 -9.114 8.976 -4.261 1.00 0.00 C ATOM 633 C GLY A 43 -7.799 9.156 -5.022 1.00 0.00 C ATOM 634 O GLY A 43 -7.506 8.402 -5.949 1.00 0.00 O ATOM 0 H GLY A 43 -9.944 8.224 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.330 9.875 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.017 8.155 -3.550 1.00 0.00 H new ATOM 638 N GLU A 44 -7.042 10.159 -4.602 1.00 0.00 N ATOM 639 CA GLU A 44 -5.765 10.447 -5.232 1.00 0.00 C ATOM 640 C GLU A 44 -4.635 10.363 -4.204 1.00 0.00 C ATOM 641 O GLU A 44 -4.885 10.359 -3.000 1.00 0.00 O ATOM 642 CB GLU A 44 -5.786 11.817 -5.913 1.00 0.00 C ATOM 643 CG GLU A 44 -6.143 11.687 -7.395 1.00 0.00 C ATOM 644 CD GLU A 44 -5.237 12.570 -8.256 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.310 13.805 -8.076 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.492 11.990 -9.075 1.00 0.00 O ATOM 0 H GLU A 44 -7.289 10.782 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.585 9.698 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.510 12.463 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.811 12.293 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.046 10.647 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.185 11.970 -7.548 1.00 0.00 H new ATOM 653 N TYR A 45 -3.415 10.298 -4.717 1.00 0.00 N ATOM 654 CA TYR A 45 -2.246 10.214 -3.859 1.00 0.00 C ATOM 655 C TYR A 45 -1.490 11.544 -3.831 1.00 0.00 C ATOM 656 O TYR A 45 -1.203 12.122 -4.878 1.00 0.00 O ATOM 657 CB TYR A 45 -1.345 9.143 -4.477 1.00 0.00 C ATOM 658 CG TYR A 45 -1.912 7.725 -4.386 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.749 7.251 -5.376 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.588 6.919 -3.313 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.283 5.917 -5.290 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.122 5.585 -3.227 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.943 5.149 -4.220 1.00 0.00 C ATOM 664 OH TYR A 45 -3.448 3.889 -4.139 1.00 0.00 O ATOM 0 H TYR A 45 -3.211 10.302 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.537 9.976 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.173 9.388 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.375 9.168 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.003 7.881 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.934 7.289 -2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.939 5.534 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.876 4.945 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.772 3.246 -4.439 1.00 0.00 H new ATOM 674 N LYS A 46 -1.189 11.992 -2.621 1.00 0.00 N ATOM 675 CA LYS A 46 -0.472 13.243 -2.442 1.00 0.00 C ATOM 676 C LYS A 46 1.013 12.948 -2.220 1.00 0.00 C ATOM 677 O LYS A 46 1.410 12.531 -1.133 1.00 0.00 O ATOM 678 CB LYS A 46 -1.109 14.070 -1.324 1.00 0.00 C ATOM 679 CG LYS A 46 -0.854 15.564 -1.534 1.00 0.00 C ATOM 680 CD LYS A 46 -1.780 16.132 -2.613 1.00 0.00 C ATOM 681 CE LYS A 46 -1.151 17.353 -3.287 1.00 0.00 C ATOM 682 NZ LYS A 46 -1.596 17.453 -4.695 1.00 0.00 N ATOM 0 H LYS A 46 -1.429 11.511 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.544 13.856 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.182 13.881 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.703 13.760 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.011 16.099 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.185 15.722 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.987 15.366 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.736 16.410 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.429 18.258 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.064 17.279 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.160 18.287 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.310 16.597 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.631 17.546 -4.726 1.00 0.00 H new ATOM 696 N TYR A 47 1.792 13.175 -3.267 1.00 0.00 N ATOM 697 CA TYR A 47 3.224 12.939 -3.200 1.00 0.00 C ATOM 698 C TYR A 47 3.965 14.194 -2.736 1.00 0.00 C ATOM 699 O TYR A 47 3.907 15.232 -3.394 1.00 0.00 O ATOM 700 CB TYR A 47 3.662 12.599 -4.626 1.00 0.00 C ATOM 701 CG TYR A 47 2.991 11.351 -5.202 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.449 10.097 -4.852 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.928 11.479 -6.073 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.818 8.922 -5.395 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.296 10.304 -6.615 1.00 0.00 C ATOM 706 CZ TYR A 47 1.773 9.084 -6.250 1.00 0.00 C ATOM 707 OH TYR A 47 1.176 7.974 -6.762 1.00 0.00 O ATOM 0 H TYR A 47 1.458 13.520 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 47 3.449 12.141 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.444 13.448 -5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.743 12.457 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.281 9.997 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.570 12.460 -6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.167 7.935 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.462 10.390 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 47 0.444 8.241 -7.356 1.00 0.00 H new ATOM 717 N THR A 48 4.646 14.058 -1.608 1.00 0.00 N ATOM 718 CA THR A 48 5.398 15.168 -1.049 1.00 0.00 C ATOM 719 C THR A 48 6.899 14.948 -1.245 1.00 0.00 C ATOM 720 O THR A 48 7.462 13.983 -0.729 1.00 0.00 O ATOM 721 CB THR A 48 4.994 15.323 0.419 1.00 0.00 C ATOM 722 OG1 THR A 48 3.727 15.973 0.363 1.00 0.00 O ATOM 723 CG2 THR A 48 5.887 16.310 1.172 1.00 0.00 C ATOM 0 H THR A 48 4.693 13.195 -1.066 1.00 0.00 H new ATOM 0 HA THR A 48 5.167 16.100 -1.565 1.00 0.00 H new ATOM 0 HB THR A 48 5.034 14.351 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.390 16.111 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.557 16.382 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.919 15.961 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.822 17.291 0.701 1.00 0.00 H new ATOM 731 N GLN A 49 7.506 15.859 -1.992 1.00 0.00 N ATOM 732 CA GLN A 49 8.931 15.776 -2.263 1.00 0.00 C ATOM 733 C GLN A 49 9.729 16.326 -1.079 1.00 0.00 C ATOM 734 O GLN A 49 9.475 17.437 -0.617 1.00 0.00 O ATOM 735 CB GLN A 49 9.287 16.515 -3.555 1.00 0.00 C ATOM 736 CG GLN A 49 10.758 16.303 -3.920 1.00 0.00 C ATOM 737 CD GLN A 49 11.593 17.538 -3.571 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.545 18.060 -2.470 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.358 17.973 -4.568 1.00 0.00 N ATOM 0 H GLN A 49 7.037 16.658 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 49 9.195 14.727 -2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.652 16.161 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.088 17.580 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.147 15.435 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.845 16.090 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.350 17.488 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.952 18.791 -4.435 1.00 0.00 H new ATOM 748 N VAL A 50 10.678 15.522 -0.622 1.00 0.00 N ATOM 749 CA VAL A 50 11.515 15.913 0.500 1.00 0.00 C ATOM 750 C VAL A 50 12.982 15.664 0.147 1.00 0.00 C ATOM 751 O VAL A 50 13.283 15.067 -0.886 1.00 0.00 O ATOM 752 CB VAL A 50 11.071 15.178 1.766 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.698 15.667 2.232 1.00 0.00 C ATOM 754 CG2 VAL A 50 11.068 13.663 1.547 1.00 0.00 C ATOM 0 H VAL A 50 10.886 14.601 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 50 11.406 16.978 0.705 1.00 0.00 H new ATOM 0 HB VAL A 50 11.791 15.402 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.407 15.128 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.746 16.735 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.962 15.487 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.749 13.164 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.381 13.414 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.073 13.331 1.284 1.00 0.00 H new ATOM 764 N GLY A 51 13.857 16.134 1.024 1.00 0.00 N ATOM 765 CA GLY A 51 15.286 15.970 0.818 1.00 0.00 C ATOM 766 C GLY A 51 15.778 16.848 -0.335 1.00 0.00 C ATOM 767 O GLY A 51 14.980 17.496 -1.011 1.00 0.00 O ATOM 0 H GLY A 51 13.604 16.629 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.821 16.230 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.509 14.925 0.604 1.00 0.00 H new ATOM 771 N PRO A 52 17.124 16.839 -0.529 1.00 0.00 N ATOM 772 CA PRO A 52 17.732 17.626 -1.589 1.00 0.00 C ATOM 773 C PRO A 52 17.496 16.981 -2.956 1.00 0.00 C ATOM 774 O PRO A 52 17.214 15.787 -3.042 1.00 0.00 O ATOM 775 CB PRO A 52 19.204 17.713 -1.219 1.00 0.00 C ATOM 776 CG PRO A 52 19.451 16.590 -0.225 1.00 0.00 C ATOM 777 CD PRO A 52 18.099 16.083 0.251 1.00 0.00 C ATOM 0 HA PRO A 52 17.297 18.622 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.836 17.600 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.440 18.682 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 52 20.018 15.785 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.042 16.949 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.996 15.011 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.967 16.251 1.320 1.00 0.00 H new ATOM 785 N ASP A 53 17.619 17.800 -3.990 1.00 0.00 N ATOM 786 CA ASP A 53 17.423 17.324 -5.349 1.00 0.00 C ATOM 787 C ASP A 53 18.343 16.129 -5.604 1.00 0.00 C ATOM 788 O ASP A 53 17.882 15.057 -5.995 1.00 0.00 O ATOM 789 CB ASP A 53 17.767 18.411 -6.369 1.00 0.00 C ATOM 790 CG ASP A 53 16.675 19.461 -6.587 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.453 20.252 -5.645 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.088 19.449 -7.690 1.00 0.00 O ATOM 0 H ASP A 53 17.852 18.790 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 53 16.375 17.044 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.677 18.917 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.989 17.935 -7.324 1.00 0.00 H new ATOM 797 N HIS A 54 19.629 16.352 -5.372 1.00 0.00 N ATOM 798 CA HIS A 54 20.618 15.307 -5.572 1.00 0.00 C ATOM 799 C HIS A 54 20.083 13.982 -5.025 1.00 0.00 C ATOM 800 O HIS A 54 20.283 12.930 -5.630 1.00 0.00 O ATOM 801 CB HIS A 54 21.961 15.704 -4.956 1.00 0.00 C ATOM 802 CG HIS A 54 22.149 15.227 -3.535 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.460 13.993 -3.044 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 22.018 16.062 -2.440 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.516 14.071 -1.720 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.242 15.353 -1.344 1.00 0.00 N flip ATOM 0 H HIS A 54 20.008 17.241 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 54 20.799 15.173 -6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.765 15.302 -5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.053 16.790 -4.979 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.774 17.114 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.741 13.254 -1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.214 15.704 -0.387 1.00 0.00 H new ATOM 814 N ASN A 55 19.413 14.077 -3.885 1.00 0.00 N ATOM 815 CA ASN A 55 18.848 12.899 -3.249 1.00 0.00 C ATOM 816 C ASN A 55 17.531 13.276 -2.569 1.00 0.00 C ATOM 817 O ASN A 55 17.509 13.582 -1.377 1.00 0.00 O ATOM 818 CB ASN A 55 19.791 12.345 -2.180 1.00 0.00 C ATOM 819 CG ASN A 55 19.413 10.910 -1.806 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.270 10.495 -1.908 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.433 10.178 -1.368 1.00 0.00 N ATOM 0 H ASN A 55 19.249 14.951 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 55 18.691 12.142 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.817 12.371 -2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.753 12.978 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.283 9.207 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.365 10.587 -1.307 1.00 0.00 H new ATOM 828 N ARG A 56 16.464 13.240 -3.354 1.00 0.00 N ATOM 829 CA ARG A 56 15.146 13.574 -2.842 1.00 0.00 C ATOM 830 C ARG A 56 14.214 12.365 -2.947 1.00 0.00 C ATOM 831 O ARG A 56 14.505 11.413 -3.670 1.00 0.00 O ATOM 832 CB ARG A 56 14.536 14.747 -3.612 1.00 0.00 C ATOM 833 CG ARG A 56 14.636 14.522 -5.122 1.00 0.00 C ATOM 834 CD ARG A 56 13.387 15.041 -5.837 1.00 0.00 C ATOM 835 NE ARG A 56 13.777 15.903 -6.976 1.00 0.00 N ATOM 836 CZ ARG A 56 14.169 15.439 -8.170 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.225 14.118 -8.389 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.504 16.295 -9.145 1.00 0.00 N ATOM 0 H ARG A 56 16.486 12.984 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 56 15.260 13.861 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.491 14.870 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.050 15.670 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.519 15.029 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.762 13.459 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.787 14.203 -6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.766 15.604 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 56 13.745 16.914 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.969 13.467 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.523 13.764 -9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.461 17.300 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.802 15.941 -10.054 1.00 0.00 H new ATOM 852 N SER A 57 13.113 12.441 -2.214 1.00 0.00 N ATOM 853 CA SER A 57 12.137 11.365 -2.216 1.00 0.00 C ATOM 854 C SER A 57 10.737 11.929 -2.466 1.00 0.00 C ATOM 855 O SER A 57 10.585 13.111 -2.769 1.00 0.00 O ATOM 856 CB SER A 57 12.169 10.590 -0.897 1.00 0.00 C ATOM 857 OG SER A 57 13.416 9.930 -0.696 1.00 0.00 O ATOM 0 H SER A 57 12.875 13.231 -1.615 1.00 0.00 H new ATOM 0 HA SER A 57 12.392 10.673 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.984 11.275 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.364 9.855 -0.889 1.00 0.00 H new ATOM 0 HG SER A 57 13.504 9.677 0.247 1.00 0.00 H new ATOM 863 N PHE A 58 9.749 11.056 -2.330 1.00 0.00 N ATOM 864 CA PHE A 58 8.367 11.452 -2.538 1.00 0.00 C ATOM 865 C PHE A 58 7.441 10.759 -1.535 1.00 0.00 C ATOM 866 O PHE A 58 7.196 9.558 -1.638 1.00 0.00 O ATOM 867 CB PHE A 58 7.983 11.014 -3.953 1.00 0.00 C ATOM 868 CG PHE A 58 8.495 11.947 -5.053 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.736 11.765 -5.577 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.707 12.959 -5.506 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.211 12.631 -6.597 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.182 13.825 -6.527 1.00 0.00 C ATOM 873 CZ PHE A 58 9.424 13.643 -7.051 1.00 0.00 C ATOM 0 H PHE A 58 9.879 10.076 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 58 8.265 12.529 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.372 10.012 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.897 10.951 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.361 10.961 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.721 13.104 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.197 12.486 -7.012 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.557 14.628 -6.887 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.785 14.302 -7.827 1.00 0.00 H new ATOM 883 N ILE A 59 6.953 11.547 -0.588 1.00 0.00 N ATOM 884 CA ILE A 59 6.060 11.025 0.433 1.00 0.00 C ATOM 885 C ILE A 59 4.643 10.928 -0.136 1.00 0.00 C ATOM 886 O ILE A 59 3.958 11.940 -0.281 1.00 0.00 O ATOM 887 CB ILE A 59 6.155 11.864 1.708 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.398 11.491 2.519 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.874 11.750 2.537 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.657 12.515 3.627 1.00 0.00 C ATOM 0 H ILE A 59 7.159 12.543 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 59 6.358 10.017 0.720 1.00 0.00 H new ATOM 0 HB ILE A 59 6.260 12.910 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.268 10.501 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.264 11.436 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.968 12.356 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.027 12.104 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.712 10.709 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.546 12.227 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.811 13.499 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.799 12.549 4.298 1.00 0.00 H new ATOM 902 N ALA A 60 4.246 9.702 -0.444 1.00 0.00 N ATOM 903 CA ALA A 60 2.922 9.461 -0.993 1.00 0.00 C ATOM 904 C ALA A 60 1.942 9.189 0.149 1.00 0.00 C ATOM 905 O ALA A 60 2.019 8.152 0.805 1.00 0.00 O ATOM 906 CB ALA A 60 2.988 8.304 -1.992 1.00 0.00 C ATOM 0 H ALA A 60 4.817 8.866 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 60 2.564 10.338 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.996 8.122 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.675 8.559 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.340 7.406 -1.485 1.00 0.00 H new ATOM 912 N GLU A 61 1.042 10.140 0.353 1.00 0.00 N ATOM 913 CA GLU A 61 0.047 10.017 1.405 1.00 0.00 C ATOM 914 C GLU A 61 -1.360 10.001 0.805 1.00 0.00 C ATOM 915 O GLU A 61 -1.640 10.724 -0.149 1.00 0.00 O ATOM 916 CB GLU A 61 0.193 11.141 2.432 1.00 0.00 C ATOM 917 CG GLU A 61 -0.087 12.504 1.796 1.00 0.00 C ATOM 918 CD GLU A 61 0.468 13.638 2.662 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.653 13.979 2.458 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.306 14.136 3.507 1.00 0.00 O ATOM 0 H GLU A 61 0.981 11.000 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 61 0.210 9.073 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.496 10.974 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.200 11.130 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.363 12.546 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.161 12.634 1.665 1.00 0.00 H new ATOM 927 N MET A 62 -2.209 9.169 1.390 1.00 0.00 N ATOM 928 CA MET A 62 -3.580 9.049 0.926 1.00 0.00 C ATOM 929 C MET A 62 -4.535 8.794 2.094 1.00 0.00 C ATOM 930 O MET A 62 -4.223 8.019 2.997 1.00 0.00 O ATOM 931 CB MET A 62 -3.682 7.898 -0.077 1.00 0.00 C ATOM 932 CG MET A 62 -5.140 7.492 -0.300 1.00 0.00 C ATOM 933 SD MET A 62 -5.237 6.234 -1.563 1.00 0.00 S ATOM 934 CE MET A 62 -5.298 7.262 -3.021 1.00 0.00 C ATOM 0 H MET A 62 -1.973 8.571 2.182 1.00 0.00 H new ATOM 0 HA MET A 62 -3.864 9.986 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.235 8.197 -1.025 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.114 7.042 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.569 7.119 0.630 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.727 8.362 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.468 6.639 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.110 7.982 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.353 7.794 -3.131 1.00 0.00 H new ATOM 944 N THR A 63 -5.678 9.461 2.039 1.00 0.00 N ATOM 945 CA THR A 63 -6.680 9.317 3.082 1.00 0.00 C ATOM 946 C THR A 63 -8.029 8.929 2.474 1.00 0.00 C ATOM 947 O THR A 63 -8.450 9.502 1.470 1.00 0.00 O ATOM 948 CB THR A 63 -6.725 10.622 3.879 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.353 10.945 4.093 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.286 10.428 5.289 1.00 0.00 C ATOM 0 H THR A 63 -5.933 10.103 1.288 1.00 0.00 H new ATOM 0 HA THR A 63 -6.424 8.510 3.768 1.00 0.00 H new ATOM 0 HB THR A 63 -7.332 11.353 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.052 10.550 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.296 11.385 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.302 10.038 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.660 9.723 5.836 1.00 0.00 H new ATOM 958 N ILE A 64 -8.671 7.959 3.109 1.00 0.00 N ATOM 959 CA ILE A 64 -9.964 7.488 2.644 1.00 0.00 C ATOM 960 C ILE A 64 -10.892 7.289 3.844 1.00 0.00 C ATOM 961 O ILE A 64 -10.427 7.092 4.966 1.00 0.00 O ATOM 962 CB ILE A 64 -9.800 6.236 1.779 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.724 5.312 2.353 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.518 6.609 0.323 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.877 3.889 1.811 1.00 0.00 C ATOM 0 H ILE A 64 -8.319 7.487 3.942 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.431 8.233 2.000 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.740 5.684 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.736 5.697 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.792 5.300 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.406 5.701 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.347 7.198 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.600 7.194 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.100 3.253 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.856 3.498 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.784 3.901 0.725 1.00 0.00 H new ATOM 977 N TYR A 65 -12.186 7.346 3.567 1.00 0.00 N ATOM 978 CA TYR A 65 -13.183 7.174 4.611 1.00 0.00 C ATOM 979 C TYR A 65 -14.104 5.993 4.299 1.00 0.00 C ATOM 980 O TYR A 65 -14.537 5.822 3.161 1.00 0.00 O ATOM 981 CB TYR A 65 -14.009 8.462 4.620 1.00 0.00 C ATOM 982 CG TYR A 65 -15.269 8.386 5.486 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.349 7.636 5.068 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.325 9.068 6.684 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.534 7.565 5.882 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.510 8.997 7.499 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.556 8.249 7.057 1.00 0.00 C ATOM 988 OH TYR A 65 -18.676 8.182 7.827 1.00 0.00 O ATOM 0 H TYR A 65 -12.568 7.509 2.635 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.705 6.977 5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.384 9.280 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.297 8.704 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.305 7.102 4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.480 9.655 7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.386 6.982 5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.567 9.525 8.439 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.549 8.719 8.637 1.00 0.00 H new ATOM 998 N ILE A 66 -14.378 5.209 5.332 1.00 0.00 N ATOM 999 CA ILE A 66 -15.240 4.049 5.183 1.00 0.00 C ATOM 1000 C ILE A 66 -16.534 4.276 5.967 1.00 0.00 C ATOM 1001 O ILE A 66 -16.499 4.506 7.175 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.495 2.773 5.582 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.061 2.787 5.051 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.262 1.528 5.132 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.042 2.823 3.521 1.00 0.00 C ATOM 0 H ILE A 66 -14.018 5.355 6.275 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.520 3.914 4.138 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.434 2.738 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.532 3.655 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.530 1.903 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.711 0.635 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.247 1.519 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.375 1.542 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.010 2.832 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.550 1.942 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.552 3.721 3.172 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.644 4.205 5.248 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.947 4.401 5.861 1.00 0.00 C ATOM 1019 C LYS A 67 -19.358 3.122 6.593 1.00 0.00 C ATOM 1020 O LYS A 67 -20.029 3.180 7.623 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.965 4.868 4.819 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.963 3.945 3.599 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.561 4.709 2.335 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.492 4.367 1.170 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.474 5.449 0.159 1.00 0.00 N ATOM 0 H LYS A 67 -17.668 4.014 4.246 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.902 5.195 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.961 4.889 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.732 5.887 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.271 3.119 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.953 3.510 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.593 5.781 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.533 4.463 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.182 3.428 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.508 4.222 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.111 5.202 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.791 6.338 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.507 5.568 -0.205 1.00 0.00 H new ATOM 1039 N GLN A 68 -18.939 1.997 6.033 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.256 0.705 6.619 1.00 0.00 C ATOM 1041 C GLN A 68 -18.573 0.559 7.981 1.00 0.00 C ATOM 1042 O GLN A 68 -18.854 -0.382 8.722 1.00 0.00 O ATOM 1043 CB GLN A 68 -18.858 -0.435 5.681 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.339 -0.613 5.648 1.00 0.00 C ATOM 1045 CD GLN A 68 -16.960 -2.096 5.650 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -16.963 -2.762 6.673 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -16.634 -2.573 4.452 1.00 0.00 N ATOM 0 H GLN A 68 -18.382 1.953 5.179 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.334 0.649 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.329 -1.362 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.225 -0.229 4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.932 -0.131 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.893 -0.119 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.653 -1.960 3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.365 -3.552 4.349 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.690 1.504 8.269 1.00 0.00 N ATOM 1057 CA LEU A 69 -16.965 1.492 9.528 1.00 0.00 C ATOM 1058 C LEU A 69 -17.408 2.685 10.378 1.00 0.00 C ATOM 1059 O LEU A 69 -17.524 2.574 11.597 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.457 1.441 9.278 1.00 0.00 C ATOM 1061 CG LEU A 69 -14.970 0.337 8.337 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.444 0.230 8.361 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.643 -0.998 8.663 1.00 0.00 C ATOM 0 H LEU A 69 -17.460 2.283 7.652 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.201 0.591 10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.144 2.402 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.954 1.322 10.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.258 0.603 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.124 -0.562 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.008 1.177 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.111 -0.002 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.279 -1.765 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.407 -1.284 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.723 -0.897 8.554 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.642 3.799 9.700 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.069 5.011 10.377 1.00 0.00 C ATOM 1077 C GLY A 70 -16.879 5.933 10.653 1.00 0.00 C ATOM 1078 O GLY A 70 -17.020 6.946 11.336 1.00 0.00 O ATOM 0 H GLY A 70 -17.544 3.887 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.804 5.534 9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.560 4.754 11.316 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.735 5.549 10.106 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.522 6.329 10.285 1.00 0.00 C ATOM 1084 C ARG A 71 -13.715 6.359 8.985 1.00 0.00 C ATOM 1085 O ARG A 71 -14.187 5.902 7.946 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.654 5.749 11.403 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.072 4.393 10.998 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.636 4.542 10.490 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.729 3.673 11.273 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.193 4.015 12.452 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.467 5.210 12.992 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.381 3.162 13.091 1.00 0.00 N ATOM 0 H ARG A 71 -15.622 4.709 9.539 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.816 7.342 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.845 6.441 11.636 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.249 5.637 12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.091 3.716 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.692 3.945 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.586 4.276 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.318 5.581 10.573 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.498 2.756 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.084 5.860 12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.058 5.470 13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.171 2.253 12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.973 3.422 13.989 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.511 6.903 9.087 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.633 6.999 7.933 1.00 0.00 C ATOM 1108 C ARG A 72 -10.192 6.680 8.334 1.00 0.00 C ATOM 1109 O ARG A 72 -9.805 6.880 9.484 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.686 8.398 7.315 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.571 9.477 8.394 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.373 10.391 8.128 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.776 11.808 8.267 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.128 12.833 7.697 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.041 12.605 6.948 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.566 14.087 7.878 1.00 0.00 N ATOM 0 H ARG A 72 -12.123 7.282 9.951 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.977 6.275 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.877 8.512 6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.621 8.523 6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.486 10.069 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.466 9.008 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.569 10.163 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.984 10.212 7.126 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.599 12.018 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.707 11.651 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.548 13.385 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.393 14.261 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.073 14.867 7.444 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.436 6.190 7.362 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.045 5.841 7.600 1.00 0.00 C ATOM 1132 C ILE A 73 -7.146 6.739 6.747 1.00 0.00 C ATOM 1133 O ILE A 73 -7.529 7.144 5.650 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.820 4.346 7.366 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.053 3.978 5.900 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.684 3.508 8.311 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.524 2.576 5.595 1.00 0.00 C ATOM 0 H ILE A 73 -9.760 6.026 6.409 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.780 6.020 8.642 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.778 4.118 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.118 4.025 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.558 4.705 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.505 2.449 8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.427 3.743 9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.736 3.734 8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.703 2.340 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.454 2.539 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.038 1.849 6.223 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.968 7.023 7.283 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.012 7.865 6.584 1.00 0.00 C ATOM 1151 C PHE A 74 -3.662 7.159 6.442 1.00 0.00 C ATOM 1152 O PHE A 74 -3.292 6.343 7.284 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.827 9.127 7.429 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.537 9.893 7.129 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.343 9.408 7.562 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.585 11.059 6.430 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.145 10.119 7.284 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.388 11.770 6.152 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.193 11.285 6.585 1.00 0.00 C ATOM 0 H PHE A 74 -5.654 6.685 8.193 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.379 8.095 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.677 9.789 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.837 8.851 8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.305 8.482 8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.534 11.444 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.196 9.734 7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.426 12.696 5.597 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.282 11.826 6.374 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.963 7.499 5.369 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.662 6.909 5.105 1.00 0.00 C ATOM 1171 C ALA A 75 -0.690 8.004 4.660 1.00 0.00 C ATOM 1172 O ALA A 75 -1.109 9.037 4.141 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.807 5.799 4.061 1.00 0.00 C ATOM 0 H ALA A 75 -3.273 8.176 4.672 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.256 6.456 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.831 5.356 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.484 5.032 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.210 6.217 3.139 1.00 0.00 H new ATOM 1179 N ARG A 76 0.589 7.740 4.879 1.00 0.00 N ATOM 1180 CA ARG A 76 1.624 8.690 4.508 1.00 0.00 C ATOM 1181 C ARG A 76 3.004 8.036 4.605 1.00 0.00 C ATOM 1182 O ARG A 76 3.667 8.129 5.637 1.00 0.00 O ATOM 1183 CB ARG A 76 1.587 9.925 5.410 1.00 0.00 C ATOM 1184 CG ARG A 76 2.677 10.924 5.016 1.00 0.00 C ATOM 1185 CD ARG A 76 3.519 11.323 6.229 1.00 0.00 C ATOM 1186 NE ARG A 76 3.097 12.652 6.724 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.661 13.280 7.765 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.674 12.704 8.426 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.212 14.485 8.144 1.00 0.00 N ATOM 0 H ARG A 76 0.933 6.881 5.309 1.00 0.00 H new ATOM 0 HA ARG A 76 1.437 9.000 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.609 10.402 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.722 9.625 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.319 10.485 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.221 11.812 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.409 10.580 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.574 11.345 5.958 1.00 0.00 H new ATOM 0 HE ARG A 76 2.329 13.119 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.016 11.788 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.103 13.182 9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.441 14.924 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.641 14.963 8.936 1.00 0.00 H new ATOM 1203 N GLU A 77 3.396 7.390 3.517 1.00 0.00 N ATOM 1204 CA GLU A 77 4.685 6.722 3.467 1.00 0.00 C ATOM 1205 C GLU A 77 5.738 7.645 2.849 1.00 0.00 C ATOM 1206 O GLU A 77 5.408 8.715 2.339 1.00 0.00 O ATOM 1207 CB GLU A 77 4.590 5.405 2.694 1.00 0.00 C ATOM 1208 CG GLU A 77 3.682 4.409 3.418 1.00 0.00 C ATOM 1209 CD GLU A 77 4.500 3.450 4.286 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.945 3.900 5.364 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.662 2.290 3.851 1.00 0.00 O ATOM 0 H GLU A 77 2.843 7.315 2.663 1.00 0.00 H new ATOM 0 HA GLU A 77 4.990 6.486 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.203 5.594 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.585 4.976 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.968 4.949 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.104 3.842 2.688 1.00 0.00 H new ATOM 1218 N HIS A 78 6.983 7.197 2.916 1.00 0.00 N ATOM 1219 CA HIS A 78 8.086 7.970 2.370 1.00 0.00 C ATOM 1220 C HIS A 78 8.854 7.121 1.355 1.00 0.00 C ATOM 1221 O HIS A 78 10.083 7.089 1.370 1.00 0.00 O ATOM 1222 CB HIS A 78 8.980 8.507 3.489 1.00 0.00 C ATOM 1223 CG HIS A 78 10.288 9.085 3.007 1.00 0.00 C ATOM 1224 ND1 HIS A 78 11.479 8.920 3.692 1.00 0.00 N ATOM 1225 CD2 HIS A 78 10.581 9.827 1.900 1.00 0.00 C ATOM 1226 CE1 HIS A 78 12.438 9.540 3.020 1.00 0.00 C ATOM 1227 NE2 HIS A 78 11.879 10.102 1.910 1.00 0.00 N ATOM 0 H HIS A 78 7.252 6.309 3.340 1.00 0.00 H new ATOM 0 HA HIS A 78 7.698 8.842 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.435 9.275 4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.188 7.701 4.192 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.598 8.408 4.566 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.876 10.138 1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.479 9.591 3.302 1.00 0.00 H new ATOM 1235 N GLY A 79 8.097 6.453 0.496 1.00 0.00 N ATOM 1236 CA GLY A 79 8.690 5.606 -0.524 1.00 0.00 C ATOM 1237 C GLY A 79 9.764 6.363 -1.308 1.00 0.00 C ATOM 1238 O GLY A 79 10.050 7.524 -1.016 1.00 0.00 O ATOM 0 H GLY A 79 7.077 6.482 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.128 4.723 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.916 5.256 -1.206 1.00 0.00 H new ATOM 1242 N SER A 80 10.330 5.676 -2.290 1.00 0.00 N ATOM 1243 CA SER A 80 11.366 6.269 -3.118 1.00 0.00 C ATOM 1244 C SER A 80 10.745 6.871 -4.380 1.00 0.00 C ATOM 1245 O SER A 80 10.788 8.084 -4.579 1.00 0.00 O ATOM 1246 CB SER A 80 12.431 5.236 -3.491 1.00 0.00 C ATOM 1247 OG SER A 80 13.618 5.389 -2.717 1.00 0.00 O ATOM 0 H SER A 80 10.090 4.714 -2.531 1.00 0.00 H new ATOM 0 HA SER A 80 11.851 7.060 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.030 4.233 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.674 5.331 -4.549 1.00 0.00 H new ATOM 0 HG SER A 80 14.272 4.710 -2.984 1.00 0.00 H new ATOM 1253 N ASN A 81 10.183 5.996 -5.201 1.00 0.00 N ATOM 1254 CA ASN A 81 9.555 6.426 -6.438 1.00 0.00 C ATOM 1255 C ASN A 81 8.039 6.485 -6.241 1.00 0.00 C ATOM 1256 O ASN A 81 7.488 5.763 -5.411 1.00 0.00 O ATOM 1257 CB ASN A 81 9.846 5.443 -7.574 1.00 0.00 C ATOM 1258 CG ASN A 81 11.344 5.390 -7.882 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.952 6.358 -8.306 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.903 4.206 -7.645 1.00 0.00 N ATOM 0 H ASN A 81 10.150 4.990 -5.033 1.00 0.00 H new ATOM 0 HA ASN A 81 9.956 7.406 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.492 4.449 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.298 5.741 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.899 4.068 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.336 3.436 -7.290 1.00 0.00 H new ATOM 1267 N LYS A 82 7.406 7.351 -7.019 1.00 0.00 N ATOM 1268 CA LYS A 82 5.965 7.514 -6.941 1.00 0.00 C ATOM 1269 C LYS A 82 5.308 6.140 -6.793 1.00 0.00 C ATOM 1270 O LYS A 82 4.491 5.932 -5.897 1.00 0.00 O ATOM 1271 CB LYS A 82 5.450 8.316 -8.138 1.00 0.00 C ATOM 1272 CG LYS A 82 5.439 9.815 -7.830 1.00 0.00 C ATOM 1273 CD LYS A 82 4.231 10.498 -8.475 1.00 0.00 C ATOM 1274 CE LYS A 82 4.605 11.881 -9.010 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.207 12.013 -10.430 1.00 0.00 N ATOM 0 H LYS A 82 7.866 7.947 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 82 5.695 8.094 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.080 8.124 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.443 7.987 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.415 9.968 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.358 10.272 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.851 9.880 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.428 10.592 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.115 12.652 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.679 12.037 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.468 12.958 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.694 11.289 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.178 11.885 -10.516 1.00 0.00 H new ATOM 1289 N LYS A 83 5.690 5.238 -7.685 1.00 0.00 N ATOM 1290 CA LYS A 83 5.148 3.890 -7.665 1.00 0.00 C ATOM 1291 C LYS A 83 5.308 3.302 -6.262 1.00 0.00 C ATOM 1292 O LYS A 83 4.327 3.136 -5.539 1.00 0.00 O ATOM 1293 CB LYS A 83 5.787 3.040 -8.765 1.00 0.00 C ATOM 1294 CG LYS A 83 5.495 3.623 -10.149 1.00 0.00 C ATOM 1295 CD LYS A 83 4.010 3.495 -10.494 1.00 0.00 C ATOM 1296 CE LYS A 83 3.338 4.869 -10.540 1.00 0.00 C ATOM 1297 NZ LYS A 83 1.868 4.725 -10.633 1.00 0.00 N ATOM 0 H LYS A 83 6.368 5.414 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 83 4.081 3.905 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.864 2.987 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.406 2.020 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.789 4.672 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.093 3.105 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.898 2.999 -11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.514 2.868 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.598 5.437 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.709 5.433 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.428 5.667 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.625 4.201 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.517 4.205 -9.803 1.00 0.00 H new ATOM 1311 N LEU A 84 6.552 3.002 -5.918 1.00 0.00 N ATOM 1312 CA LEU A 84 6.853 2.436 -4.615 1.00 0.00 C ATOM 1313 C LEU A 84 5.983 3.116 -3.555 1.00 0.00 C ATOM 1314 O LEU A 84 5.050 2.510 -3.030 1.00 0.00 O ATOM 1315 CB LEU A 84 8.353 2.521 -4.326 1.00 0.00 C ATOM 1316 CG LEU A 84 9.223 1.439 -4.969 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.708 1.780 -4.840 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.899 0.060 -4.391 1.00 0.00 C ATOM 0 H LEU A 84 7.364 3.141 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 84 6.609 1.374 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.712 3.494 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.498 2.481 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 84 8.993 1.404 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.303 0.994 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.908 2.729 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.973 1.860 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.531 -0.691 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.083 0.063 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.852 -0.176 -4.579 1.00 0.00 H new ATOM 1330 N ALA A 85 6.320 4.365 -3.272 1.00 0.00 N ATOM 1331 CA ALA A 85 5.582 5.134 -2.285 1.00 0.00 C ATOM 1332 C ALA A 85 4.091 4.808 -2.401 1.00 0.00 C ATOM 1333 O ALA A 85 3.500 4.250 -1.478 1.00 0.00 O ATOM 1334 CB ALA A 85 5.869 6.624 -2.478 1.00 0.00 C ATOM 0 H ALA A 85 7.095 4.864 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 85 5.900 4.869 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.315 7.200 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.937 6.808 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.560 6.927 -3.478 1.00 0.00 H new ATOM 1340 N ALA A 86 3.526 5.170 -3.544 1.00 0.00 N ATOM 1341 CA ALA A 86 2.116 4.923 -3.793 1.00 0.00 C ATOM 1342 C ALA A 86 1.751 3.525 -3.288 1.00 0.00 C ATOM 1343 O ALA A 86 0.964 3.384 -2.354 1.00 0.00 O ATOM 1344 CB ALA A 86 1.822 5.099 -5.284 1.00 0.00 C ATOM 0 H ALA A 86 4.019 5.632 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 86 1.499 5.641 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.764 4.914 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.071 6.116 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.421 4.393 -5.859 1.00 0.00 H new ATOM 1350 N GLN A 87 2.341 2.527 -3.929 1.00 0.00 N ATOM 1351 CA GLN A 87 2.088 1.145 -3.557 1.00 0.00 C ATOM 1352 C GLN A 87 1.993 1.014 -2.036 1.00 0.00 C ATOM 1353 O GLN A 87 0.971 0.577 -1.509 1.00 0.00 O ATOM 1354 CB GLN A 87 3.167 0.219 -4.121 1.00 0.00 C ATOM 1355 CG GLN A 87 2.633 -0.587 -5.307 1.00 0.00 C ATOM 1356 CD GLN A 87 3.590 -1.723 -5.673 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.363 -2.883 -5.370 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.671 -1.327 -6.341 1.00 0.00 N ATOM 0 H GLN A 87 2.994 2.648 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 87 1.134 0.842 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.029 0.808 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.512 -0.460 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.653 -0.997 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.497 0.070 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.800 -0.340 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.370 -2.011 -6.631 1.00 0.00 H new ATOM 1367 N SER A 88 3.073 1.400 -1.372 1.00 0.00 N ATOM 1368 CA SER A 88 3.124 1.331 0.079 1.00 0.00 C ATOM 1369 C SER A 88 1.891 2.011 0.679 1.00 0.00 C ATOM 1370 O SER A 88 1.262 1.472 1.588 1.00 0.00 O ATOM 1371 CB SER A 88 4.401 1.979 0.616 1.00 0.00 C ATOM 1372 OG SER A 88 5.505 1.079 0.598 1.00 0.00 O ATOM 0 H SER A 88 3.919 1.761 -1.812 1.00 0.00 H new ATOM 0 HA SER A 88 3.131 0.281 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.640 2.858 0.018 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.231 2.324 1.636 1.00 0.00 H new ATOM 0 HG SER A 88 6.301 1.531 0.947 1.00 0.00 H new ATOM 1378 N CYS A 89 1.583 3.184 0.146 1.00 0.00 N ATOM 1379 CA CYS A 89 0.437 3.943 0.617 1.00 0.00 C ATOM 1380 C CYS A 89 -0.791 3.031 0.579 1.00 0.00 C ATOM 1381 O CYS A 89 -1.483 2.874 1.584 1.00 0.00 O ATOM 1382 CB CYS A 89 0.227 5.218 -0.202 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.620 6.482 0.815 1.00 0.00 S ATOM 0 H CYS A 89 2.107 3.628 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 89 0.612 4.273 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.187 5.601 -0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.366 4.997 -1.090 1.00 0.00 H new ATOM 0 HG CYS A 89 0.190 6.911 1.737 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.023 2.454 -0.591 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.156 1.562 -0.773 1.00 0.00 C ATOM 1391 C ALA A 90 -2.144 0.498 0.327 1.00 0.00 C ATOM 1392 O ALA A 90 -3.005 0.499 1.205 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.105 0.952 -2.175 1.00 0.00 C ATOM 0 H ALA A 90 -0.446 2.587 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.094 2.111 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.955 0.283 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.146 1.747 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.178 0.391 -2.294 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.159 -0.384 0.242 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.023 -1.451 1.219 1.00 0.00 C ATOM 1401 C LEU A 91 -1.308 -0.896 2.616 1.00 0.00 C ATOM 1402 O LEU A 91 -1.851 -1.598 3.468 1.00 0.00 O ATOM 1403 CB LEU A 91 0.345 -2.124 1.091 1.00 0.00 C ATOM 1404 CG LEU A 91 0.669 -3.188 2.142 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.182 -4.442 1.933 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.166 -3.506 2.155 1.00 0.00 C ATOM 0 H LEU A 91 -0.447 -0.382 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.756 -2.235 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.411 -2.584 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.113 -1.352 1.135 1.00 0.00 H new ATOM 0 HG LEU A 91 0.416 -2.788 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.068 -5.182 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.238 -4.183 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.017 -4.856 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.370 -4.265 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.467 -3.878 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.728 -2.602 2.388 1.00 0.00 H new ATOM 1418 N SER A 92 -0.928 0.359 2.809 1.00 0.00 N ATOM 1419 CA SER A 92 -1.135 1.015 4.088 1.00 0.00 C ATOM 1420 C SER A 92 -2.626 1.030 4.433 1.00 0.00 C ATOM 1421 O SER A 92 -3.016 0.636 5.532 1.00 0.00 O ATOM 1422 CB SER A 92 -0.580 2.441 4.072 1.00 0.00 C ATOM 1423 OG SER A 92 -0.087 2.837 5.349 1.00 0.00 O ATOM 0 H SER A 92 -0.478 0.938 2.100 1.00 0.00 H new ATOM 0 HA SER A 92 -0.597 0.453 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.222 2.510 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.362 3.131 3.756 1.00 0.00 H new ATOM 0 HG SER A 92 0.260 3.752 5.296 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.418 1.488 3.475 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.857 1.559 3.664 1.00 0.00 C ATOM 1431 C LEU A 93 -5.440 0.145 3.642 1.00 0.00 C ATOM 1432 O LEU A 93 -6.138 -0.258 4.572 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.487 2.500 2.635 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.046 3.963 2.707 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.946 4.435 4.158 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.740 4.181 1.941 1.00 0.00 C ATOM 0 H LEU A 93 -3.091 1.814 2.566 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.093 1.986 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.260 2.121 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.570 2.461 2.752 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.808 4.573 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.631 5.478 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.919 4.340 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.217 3.824 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.449 5.229 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.956 3.559 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.882 3.911 0.895 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.133 -0.571 2.570 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.618 -1.932 2.415 1.00 0.00 C ATOM 1450 C VAL A 94 -5.372 -2.708 3.711 1.00 0.00 C ATOM 1451 O VAL A 94 -6.265 -3.392 4.208 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.965 -2.585 1.195 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.489 -4.007 0.988 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -5.175 -1.734 -0.059 1.00 0.00 C ATOM 0 H VAL A 94 -4.554 -0.234 1.800 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.693 -1.935 2.233 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.893 -2.648 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.009 -4.448 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.265 -4.609 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.568 -3.978 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.701 -2.220 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.243 -1.625 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.731 -0.750 0.091 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.157 -2.574 4.221 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.782 -3.254 5.450 1.00 0.00 C ATOM 1466 C ARG A 95 -4.774 -2.919 6.565 1.00 0.00 C ATOM 1467 O ARG A 95 -5.379 -3.814 7.154 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.373 -2.855 5.892 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.319 -3.749 5.237 1.00 0.00 C ATOM 1470 CD ARG A 95 0.083 -3.408 5.747 1.00 0.00 C ATOM 1471 NE ARG A 95 1.015 -4.516 5.444 1.00 0.00 N ATOM 1472 CZ ARG A 95 2.343 -4.372 5.333 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.902 -3.166 5.500 1.00 0.00 N ATOM 1474 NH2 ARG A 95 3.111 -5.434 5.055 1.00 0.00 N ATOM 0 H ARG A 95 -3.419 -2.005 3.806 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.799 -4.326 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.187 -1.814 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.294 -2.928 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.542 -4.795 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.356 -3.627 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.435 -2.488 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.054 -3.229 6.822 1.00 0.00 H new ATOM 0 HE ARG A 95 0.622 -5.448 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.317 -2.358 5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.913 -3.056 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.685 -6.352 4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.122 -5.324 4.971 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.911 -1.626 6.823 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.819 -1.162 7.858 1.00 0.00 C ATOM 1490 C GLN A 96 -7.232 -1.688 7.599 1.00 0.00 C ATOM 1491 O GLN A 96 -7.861 -2.254 8.492 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.811 0.366 7.950 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.769 0.849 8.961 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.577 2.364 8.869 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.701 3.091 9.840 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.268 2.797 7.650 1.00 0.00 N ATOM 0 H GLN A 96 -4.408 -0.886 6.333 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.477 -1.553 8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.597 0.792 6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.799 0.721 8.243 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.083 0.579 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.819 0.347 8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.180 2.134 6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.119 3.793 7.485 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.691 -1.482 6.373 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.018 -1.928 5.986 1.00 0.00 C ATOM 1507 C LEU A 97 -9.247 -3.347 6.510 1.00 0.00 C ATOM 1508 O LEU A 97 -10.099 -3.565 7.370 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.209 -1.792 4.474 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.155 -0.369 3.916 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.986 -0.381 2.396 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.382 0.437 4.350 1.00 0.00 C ATOM 0 H LEU A 97 -7.167 -1.012 5.635 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.780 -1.294 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.442 -2.385 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.172 -2.229 4.209 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.279 0.128 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.951 0.644 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.059 -0.893 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.828 -0.903 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.319 1.445 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.285 -0.049 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.417 0.490 5.438 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.472 -4.276 5.969 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.580 -5.668 6.371 1.00 0.00 C ATOM 1526 C TYR A 98 -8.656 -5.794 7.894 1.00 0.00 C ATOM 1527 O TYR A 98 -9.384 -6.638 8.415 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.302 -6.349 5.878 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.135 -7.788 6.370 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -8.082 -8.740 6.052 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.037 -8.135 7.130 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.925 -10.095 6.515 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.879 -9.489 7.593 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.831 -10.403 7.262 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.683 -11.682 7.699 1.00 0.00 O ATOM 0 H TYR A 98 -7.767 -4.092 5.256 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.481 -6.119 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.298 -6.346 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.442 -5.763 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.941 -8.469 5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.295 -7.390 7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.659 -10.849 6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.024 -9.773 8.189 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.192 -12.202 7.029 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.894 -4.943 8.565 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.866 -4.949 10.018 1.00 0.00 C ATOM 1547 C HIS A 99 -9.248 -4.579 10.560 1.00 0.00 C ATOM 1548 O HIS A 99 -9.846 -5.341 11.319 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.759 -4.033 10.544 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.263 -2.869 11.363 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.068 -3.029 12.478 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -7.066 -1.527 11.220 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.339 -1.831 12.974 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.718 -0.901 12.193 1.00 0.00 N ATOM 0 H HIS A 99 -7.291 -4.245 8.130 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.630 -5.951 10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.073 -4.622 11.152 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.187 -3.649 9.699 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.397 -3.918 12.854 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.479 -1.054 10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.945 -1.627 13.844 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.717 -3.410 10.148 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.018 -2.930 10.583 1.00 0.00 C ATOM 1564 C LEU A 100 -12.075 -3.996 10.286 1.00 0.00 C ATOM 1565 O LEU A 100 -12.857 -4.360 11.162 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.324 -1.569 9.955 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.474 -0.397 10.448 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.206 0.600 9.319 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.117 0.274 11.664 1.00 0.00 C ATOM 0 H LEU A 100 -9.219 -2.781 9.518 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.023 -2.766 11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.200 -1.653 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.372 -1.334 10.138 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.508 -0.788 10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.600 1.423 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.674 0.099 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.153 0.989 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.492 1.104 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.104 0.648 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.213 -0.452 12.472 1.00 0.00 H new ATOM 1581 N GLY A 101 -12.063 -4.467 9.047 1.00 0.00 N ATOM 1582 CA GLY A 101 -13.011 -5.483 8.624 1.00 0.00 C ATOM 1583 C GLY A 101 -13.823 -5.008 7.418 1.00 0.00 C ATOM 1584 O GLY A 101 -15.033 -5.219 7.357 1.00 0.00 O ATOM 0 H GLY A 101 -11.412 -4.163 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.478 -6.399 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.683 -5.723 9.448 1.00 0.00 H new ATOM 1588 N VAL A 102 -13.125 -4.373 6.487 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.766 -3.866 5.286 1.00 0.00 C ATOM 1590 C VAL A 102 -13.614 -4.891 4.160 1.00 0.00 C ATOM 1591 O VAL A 102 -14.595 -5.260 3.516 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.193 -2.494 4.927 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -12.315 -1.953 6.058 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -12.416 -2.552 3.610 1.00 0.00 C ATOM 0 H VAL A 102 -12.122 -4.198 6.541 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.834 -3.724 5.454 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.028 -1.807 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.920 -0.977 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.910 -1.856 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.488 -2.640 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.019 -1.564 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.593 -3.261 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.082 -2.873 2.809 1.00 0.00 H new ATOM 1604 N ILE A 103 -12.377 -5.321 3.958 1.00 0.00 N ATOM 1605 CA ILE A 103 -12.085 -6.295 2.921 1.00 0.00 C ATOM 1606 C ILE A 103 -11.957 -7.683 3.553 1.00 0.00 C ATOM 1607 O ILE A 103 -12.285 -7.869 4.724 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.854 -5.870 2.117 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.641 -5.682 3.031 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -11.147 -4.618 1.288 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -8.917 -4.371 2.718 1.00 0.00 C ATOM 0 H ILE A 103 -11.566 -5.013 4.495 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.904 -6.344 2.204 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.609 -6.669 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.962 -5.685 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.954 -6.519 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.256 -4.337 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.963 -4.823 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.431 -3.801 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.059 -4.262 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.576 -4.382 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.599 -3.534 2.867 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.479 -8.622 2.750 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.303 -9.987 3.216 1.00 0.00 C ATOM 1625 C GLU A 104 -9.995 -10.569 2.675 1.00 0.00 C ATOM 1626 O GLU A 104 -9.661 -10.374 1.508 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.496 -10.859 2.819 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.719 -10.828 1.306 1.00 0.00 C ATOM 1629 CD GLU A 104 -14.163 -10.449 0.972 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.573 -9.347 1.396 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.825 -11.270 0.300 1.00 0.00 O ATOM 0 H GLU A 104 -11.208 -8.464 1.779 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.249 -9.974 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.325 -11.885 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.393 -10.508 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.036 -10.112 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.488 -11.805 0.881 1.00 0.00 H new ATOM 1638 N ALA A 105 -9.291 -11.271 3.551 1.00 0.00 N ATOM 1639 CA ALA A 105 -8.027 -11.882 3.176 1.00 0.00 C ATOM 1640 C ALA A 105 -8.139 -12.448 1.759 1.00 0.00 C ATOM 1641 O ALA A 105 -8.965 -13.321 1.499 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.652 -12.952 4.204 1.00 0.00 C ATOM 0 H ALA A 105 -9.572 -11.430 4.519 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.229 -11.140 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.704 -13.410 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.555 -12.493 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.429 -13.716 4.234 1.00 0.00 H new ATOM 1648 N TYR A 106 -7.296 -11.927 0.880 1.00 0.00 N ATOM 1649 CA TYR A 106 -7.290 -12.369 -0.504 1.00 0.00 C ATOM 1650 C TYR A 106 -7.022 -13.873 -0.598 1.00 0.00 C ATOM 1651 O TYR A 106 -7.223 -14.604 0.370 1.00 0.00 O ATOM 1652 CB TYR A 106 -6.145 -11.616 -1.183 1.00 0.00 C ATOM 1653 CG TYR A 106 -6.434 -11.217 -2.632 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -7.439 -11.851 -3.334 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -5.691 -10.224 -3.236 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -7.712 -11.476 -4.697 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -5.964 -9.848 -4.599 1.00 0.00 C ATOM 1658 CZ TYR A 106 -6.961 -10.493 -5.262 1.00 0.00 C ATOM 1659 OH TYR A 106 -7.218 -10.139 -6.550 1.00 0.00 O ATOM 0 H TYR A 106 -6.612 -11.203 1.099 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.254 -12.174 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.923 -10.718 -0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.251 -12.239 -1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.021 -12.628 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.904 -9.728 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.495 -11.964 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.390 -9.072 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.605 -9.424 -6.821 1.00 0.00 H new ATOM 1669 N SER A 107 -6.572 -14.289 -1.773 1.00 0.00 N ATOM 1670 CA SER A 107 -6.275 -15.692 -2.006 1.00 0.00 C ATOM 1671 C SER A 107 -5.658 -15.873 -3.394 1.00 0.00 C ATOM 1672 O SER A 107 -5.856 -16.903 -4.036 1.00 0.00 O ATOM 1673 CB SER A 107 -7.532 -16.552 -1.867 1.00 0.00 C ATOM 1674 OG SER A 107 -7.453 -17.438 -0.754 1.00 0.00 O ATOM 0 H SER A 107 -6.406 -13.679 -2.574 1.00 0.00 H new ATOM 0 HA SER A 107 -5.559 -16.019 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.403 -15.906 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.679 -17.129 -2.780 1.00 0.00 H new ATOM 0 HG SER A 107 -7.394 -16.918 0.075 1.00 0.00 H new ATOM 1680 N SER A 108 -4.923 -14.855 -3.817 1.00 0.00 N ATOM 1681 CA SER A 108 -4.276 -14.888 -5.118 1.00 0.00 C ATOM 1682 C SER A 108 -3.521 -16.207 -5.293 1.00 0.00 C ATOM 1683 O SER A 108 -3.235 -16.897 -4.316 1.00 0.00 O ATOM 1684 CB SER A 108 -3.323 -13.704 -5.290 1.00 0.00 C ATOM 1685 OG SER A 108 -2.208 -14.032 -6.114 1.00 0.00 O ATOM 0 H SER A 108 -4.761 -14.002 -3.282 1.00 0.00 H new ATOM 0 HA SER A 108 -5.047 -14.813 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.863 -12.865 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.968 -13.379 -4.312 1.00 0.00 H new ATOM 0 HG SER A 108 -1.624 -13.250 -6.201 1.00 0.00 H new ATOM 1691 N GLY A 109 -3.219 -16.518 -6.545 1.00 0.00 N ATOM 1692 CA GLY A 109 -2.502 -17.742 -6.861 1.00 0.00 C ATOM 1693 C GLY A 109 -1.083 -17.437 -7.346 1.00 0.00 C ATOM 1694 O GLY A 109 -0.893 -16.613 -8.239 1.00 0.00 O ATOM 0 H GLY A 109 -3.458 -15.943 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.459 -18.381 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.042 -18.296 -7.629 1.00 0.00 H new ATOM 1698 N PRO A 110 -0.099 -18.136 -6.720 1.00 0.00 N ATOM 1699 CA PRO A 110 1.296 -17.948 -7.078 1.00 0.00 C ATOM 1700 C PRO A 110 1.615 -18.626 -8.412 1.00 0.00 C ATOM 1701 O PRO A 110 2.521 -19.455 -8.490 1.00 0.00 O ATOM 1702 CB PRO A 110 2.083 -18.528 -5.914 1.00 0.00 C ATOM 1703 CG PRO A 110 1.116 -19.432 -5.167 1.00 0.00 C ATOM 1704 CD PRO A 110 -0.288 -19.120 -5.658 1.00 0.00 C ATOM 0 HA PRO A 110 1.553 -16.900 -7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.948 -19.089 -6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 110 2.460 -17.738 -5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.358 -20.480 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.190 -19.265 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.785 -20.015 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.909 -18.722 -4.855 1.00 0.00 H new ATOM 1712 N SER A 111 0.854 -18.249 -9.428 1.00 0.00 N ATOM 1713 CA SER A 111 1.044 -18.810 -10.755 1.00 0.00 C ATOM 1714 C SER A 111 0.636 -20.285 -10.763 1.00 0.00 C ATOM 1715 O SER A 111 -0.350 -20.656 -11.398 1.00 0.00 O ATOM 1716 CB SER A 111 2.496 -18.659 -11.214 1.00 0.00 C ATOM 1717 OG SER A 111 2.619 -18.743 -12.631 1.00 0.00 O ATOM 0 H SER A 111 0.104 -17.561 -9.359 1.00 0.00 H new ATOM 0 HA SER A 111 0.412 -18.261 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.886 -17.700 -10.872 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.105 -19.435 -10.751 1.00 0.00 H new ATOM 0 HG SER A 111 3.560 -18.640 -12.884 1.00 0.00 H new ATOM 1723 N SER A 112 1.415 -21.085 -10.051 1.00 0.00 N ATOM 1724 CA SER A 112 1.147 -22.511 -9.968 1.00 0.00 C ATOM 1725 C SER A 112 1.941 -23.127 -8.814 1.00 0.00 C ATOM 1726 O SER A 112 3.133 -23.397 -8.951 1.00 0.00 O ATOM 1727 CB SER A 112 1.490 -23.213 -11.283 1.00 0.00 C ATOM 1728 OG SER A 112 0.417 -23.150 -12.218 1.00 0.00 O ATOM 0 H SER A 112 2.232 -20.773 -9.526 1.00 0.00 H new ATOM 0 HA SER A 112 0.082 -22.648 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.377 -22.754 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.736 -24.256 -11.084 1.00 0.00 H new ATOM 0 HG SER A 112 -0.071 -22.309 -12.099 1.00 0.00 H new ATOM 1734 N GLY A 113 1.248 -23.330 -7.703 1.00 0.00 N ATOM 1735 CA GLY A 113 1.874 -23.908 -6.526 1.00 0.00 C ATOM 1736 C GLY A 113 0.837 -24.198 -5.440 1.00 0.00 C ATOM 1737 O GLY A 113 -0.317 -24.498 -5.742 1.00 0.00 O ATOM 0 H GLY A 113 0.259 -23.105 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.388 -24.830 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.630 -23.224 -6.139 1.00 0.00 H new TER 1741 GLY A 113