USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -140:sc= -0.271 (180deg=-1.33!) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0257 (180deg=-0.611) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.1 F(o=-1.1!,f=-0.1) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 100:sc= 0.688 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0.233 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.758 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -1.87 (180deg=-3.02!) USER MOD Single : A 43 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.52!) USER MOD Single : A 51 TYR OH : rot 165:sc= -0.307 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -111:sc= -1.94! (180deg=-2.62!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.049 K(o=-0.049,f=-1.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 72 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 11:sc= -0.0739 USER MOD Single : A 77 HIS : no HD1:sc= -0.975! C(o=-0.98!,f=-6.2!) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.0944 (180deg=-0.563) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.614) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0162) USER MOD Single : A 95 THR OG1 : rot 2:sc= -0.675 USER MOD Single : A 103 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.48) USER MOD Single : A 104 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.6!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 106 HIS : no HD1:sc= -1 K(o=-1,f=-2.9) USER MOD Single : A 107 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.68) USER MOD Single : A 108 HIS : no HE2:sc= -0.196 K(o=-0.2,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.932 15.054 -29.469 1.00 0.00 N ATOM 2 CA MET A 1 2.172 14.236 -29.356 1.00 0.00 C ATOM 3 C MET A 1 2.228 13.212 -30.492 1.00 0.00 C ATOM 4 O MET A 1 1.351 13.149 -31.330 1.00 0.00 O ATOM 5 CB MET A 1 2.184 13.511 -28.008 1.00 0.00 C ATOM 6 CG MET A 1 2.218 14.536 -26.869 1.00 0.00 C ATOM 7 SD MET A 1 3.752 15.494 -26.951 1.00 0.00 S ATOM 8 CE MET A 1 4.894 14.139 -26.576 1.00 0.00 C ATOM 0 H1 MET A 1 1.179 16.064 -29.443 1.00 0.00 H new ATOM 0 H2 MET A 1 0.454 14.837 -30.367 1.00 0.00 H new ATOM 0 H3 MET A 1 0.297 14.833 -28.676 1.00 0.00 H new ATOM 0 HA MET A 1 3.041 14.891 -29.425 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.300 12.880 -27.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.052 12.855 -27.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.358 15.202 -26.941 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.147 14.027 -25.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.681 14.499 -25.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.351 13.330 -26.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.339 13.771 -27.501 1.00 0.00 H new ATOM 20 N SER A 2 3.266 12.420 -30.520 1.00 0.00 N ATOM 21 CA SER A 2 3.424 11.391 -31.591 1.00 0.00 C ATOM 22 C SER A 2 2.269 10.391 -31.521 1.00 0.00 C ATOM 23 O SER A 2 1.790 9.910 -32.529 1.00 0.00 O ATOM 24 CB SER A 2 4.754 10.649 -31.390 1.00 0.00 C ATOM 25 OG SER A 2 5.825 11.586 -31.426 1.00 0.00 O ATOM 0 H SER A 2 4.023 12.442 -29.836 1.00 0.00 H new ATOM 0 HA SER A 2 3.419 11.879 -32.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.749 10.121 -30.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.886 9.898 -32.169 1.00 0.00 H new ATOM 0 HG SER A 2 6.675 11.116 -31.296 1.00 0.00 H new ATOM 31 N ASN A 3 1.832 10.074 -30.333 1.00 0.00 N ATOM 32 CA ASN A 3 0.713 9.100 -30.160 1.00 0.00 C ATOM 33 C ASN A 3 -0.546 9.662 -30.820 1.00 0.00 C ATOM 34 O ASN A 3 -1.308 8.940 -31.433 1.00 0.00 O ATOM 35 CB ASN A 3 0.457 8.884 -28.662 1.00 0.00 C ATOM 36 CG ASN A 3 1.534 7.964 -28.081 1.00 0.00 C ATOM 37 OD1 ASN A 3 1.967 6.956 -28.786 1.00 0.00 O flip ATOM 38 ND2 ASN A 3 1.980 8.161 -26.967 1.00 0.00 N flip ATOM 0 H ASN A 3 2.207 10.452 -29.463 1.00 0.00 H new ATOM 0 HA ASN A 3 0.974 8.149 -30.624 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.463 9.841 -28.141 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.529 8.445 -28.511 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.642 8.949 -26.414 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.692 7.538 -26.585 1.00 0.00 H new ATOM 45 N GLN A 4 -0.764 10.944 -30.681 1.00 0.00 N ATOM 46 CA GLN A 4 -1.966 11.593 -31.283 1.00 0.00 C ATOM 47 C GLN A 4 -3.222 10.916 -30.744 1.00 0.00 C ATOM 48 O GLN A 4 -4.269 10.936 -31.362 1.00 0.00 O ATOM 49 CB GLN A 4 -1.909 11.478 -32.810 1.00 0.00 C ATOM 50 CG GLN A 4 -0.696 12.258 -33.330 1.00 0.00 C ATOM 51 CD GLN A 4 -0.638 12.166 -34.856 1.00 0.00 C ATOM 52 OE1 GLN A 4 -1.633 12.361 -35.526 1.00 0.00 O ATOM 53 NE2 GLN A 4 0.494 11.880 -35.439 1.00 0.00 N ATOM 0 H GLN A 4 -0.151 11.577 -30.168 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.987 12.650 -31.017 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.837 10.431 -33.105 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.825 11.871 -33.251 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.763 13.301 -33.021 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.220 11.856 -32.897 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.330 11.716 -34.878 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.543 11.820 -36.456 1.00 0.00 H new ATOM 62 N THR A 5 -3.115 10.315 -29.588 1.00 0.00 N ATOM 63 CA THR A 5 -4.284 9.618 -28.980 1.00 0.00 C ATOM 64 C THR A 5 -5.448 10.593 -28.845 1.00 0.00 C ATOM 65 O THR A 5 -5.525 11.378 -27.922 1.00 0.00 O ATOM 66 CB THR A 5 -3.890 9.075 -27.600 1.00 0.00 C ATOM 67 OG1 THR A 5 -5.062 8.866 -26.824 1.00 0.00 O ATOM 68 CG2 THR A 5 -2.974 10.073 -26.882 1.00 0.00 C ATOM 0 H THR A 5 -2.259 10.278 -29.035 1.00 0.00 H new ATOM 0 HA THR A 5 -4.589 8.789 -29.618 1.00 0.00 H new ATOM 0 HB THR A 5 -3.358 8.132 -27.726 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.813 8.518 -25.943 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.701 9.677 -25.904 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.073 10.231 -27.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.496 11.021 -26.757 1.00 0.00 H new ATOM 76 N CYS A 6 -6.356 10.533 -29.774 1.00 0.00 N ATOM 77 CA CYS A 6 -7.541 11.436 -29.748 1.00 0.00 C ATOM 78 C CYS A 6 -8.611 10.841 -28.836 1.00 0.00 C ATOM 79 O CYS A 6 -8.889 11.356 -27.773 1.00 0.00 O ATOM 80 CB CYS A 6 -8.111 11.570 -31.169 1.00 0.00 C ATOM 81 SG CYS A 6 -8.049 9.967 -32.013 1.00 0.00 S ATOM 0 H CYS A 6 -6.329 9.887 -30.563 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.243 12.416 -29.376 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.140 11.928 -31.125 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.540 12.309 -31.731 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.222 9.408 -31.969 1.00 0.00 H new ATOM 87 N VAL A 7 -9.218 9.764 -29.257 1.00 0.00 N ATOM 88 CA VAL A 7 -10.291 9.117 -28.440 1.00 0.00 C ATOM 89 C VAL A 7 -9.747 7.833 -27.806 1.00 0.00 C ATOM 90 O VAL A 7 -9.956 7.571 -26.639 1.00 0.00 O ATOM 91 CB VAL A 7 -11.472 8.767 -29.354 1.00 0.00 C ATOM 92 CG1 VAL A 7 -12.541 8.043 -28.538 1.00 0.00 C ATOM 93 CG2 VAL A 7 -12.062 10.054 -29.942 1.00 0.00 C ATOM 0 H VAL A 7 -9.015 9.298 -30.142 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.617 9.800 -27.655 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.130 8.123 -30.164 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.383 7.792 -29.183 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.121 7.129 -28.117 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.883 8.690 -27.731 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.901 9.806 -30.592 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.407 10.699 -29.134 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.298 10.574 -30.519 1.00 0.00 H new ATOM 103 N GLU A 8 -9.053 7.035 -28.575 1.00 0.00 N ATOM 104 CA GLU A 8 -8.483 5.756 -28.049 1.00 0.00 C ATOM 105 C GLU A 8 -9.580 4.954 -27.353 1.00 0.00 C ATOM 106 O GLU A 8 -9.850 5.128 -26.182 1.00 0.00 O ATOM 107 CB GLU A 8 -7.349 6.057 -27.073 1.00 0.00 C ATOM 108 CG GLU A 8 -6.632 4.755 -26.700 1.00 0.00 C ATOM 109 CD GLU A 8 -5.833 4.242 -27.903 1.00 0.00 C ATOM 110 OE1 GLU A 8 -5.761 4.954 -28.891 1.00 0.00 O ATOM 111 OE2 GLU A 8 -5.307 3.146 -27.813 1.00 0.00 O ATOM 0 H GLU A 8 -8.854 7.217 -29.559 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.086 5.169 -28.877 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.644 6.756 -27.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.744 6.536 -26.177 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.966 4.925 -25.854 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.359 4.005 -26.387 1.00 0.00 H new ATOM 118 N ASN A 9 -10.208 4.073 -28.078 1.00 0.00 N ATOM 119 CA ASN A 9 -11.303 3.239 -27.497 1.00 0.00 C ATOM 120 C ASN A 9 -10.722 1.975 -26.863 1.00 0.00 C ATOM 121 O ASN A 9 -10.219 1.096 -27.536 1.00 0.00 O ATOM 122 CB ASN A 9 -12.290 2.862 -28.604 1.00 0.00 C ATOM 123 CG ASN A 9 -13.459 2.088 -27.997 1.00 0.00 C ATOM 124 OD1 ASN A 9 -13.780 2.259 -26.839 1.00 0.00 O ATOM 125 ND2 ASN A 9 -14.113 1.234 -28.734 1.00 0.00 N ATOM 0 H ASN A 9 -10.009 3.891 -29.062 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.821 3.809 -26.725 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.654 3.760 -29.104 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.791 2.256 -29.360 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.893 0.711 -28.337 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.844 1.089 -29.707 1.00 0.00 H new ATOM 132 N GLU A 10 -10.798 1.894 -25.562 1.00 0.00 N ATOM 133 CA GLU A 10 -10.259 0.709 -24.831 1.00 0.00 C ATOM 134 C GLU A 10 -11.039 -0.545 -25.213 1.00 0.00 C ATOM 135 O GLU A 10 -12.212 -0.498 -25.525 1.00 0.00 O ATOM 136 CB GLU A 10 -10.364 0.942 -23.318 1.00 0.00 C ATOM 137 CG GLU A 10 -9.388 2.049 -22.907 1.00 0.00 C ATOM 138 CD GLU A 10 -9.527 2.337 -21.409 1.00 0.00 C ATOM 139 OE1 GLU A 10 -10.320 1.668 -20.766 1.00 0.00 O ATOM 140 OE2 GLU A 10 -8.839 3.224 -20.932 1.00 0.00 O ATOM 0 H GLU A 10 -11.216 2.608 -24.966 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.213 0.572 -25.105 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.383 1.222 -23.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.136 0.022 -22.780 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.366 1.747 -23.135 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.589 2.954 -23.480 1.00 0.00 H new ATOM 147 N VAL A 11 -10.374 -1.671 -25.196 1.00 0.00 N ATOM 148 CA VAL A 11 -11.031 -2.963 -25.567 1.00 0.00 C ATOM 149 C VAL A 11 -11.308 -3.783 -24.306 1.00 0.00 C ATOM 150 O VAL A 11 -10.436 -4.024 -23.494 1.00 0.00 O ATOM 151 CB VAL A 11 -10.101 -3.745 -26.504 1.00 0.00 C ATOM 152 CG1 VAL A 11 -10.649 -5.158 -26.712 1.00 0.00 C ATOM 153 CG2 VAL A 11 -10.024 -3.024 -27.854 1.00 0.00 C ATOM 0 H VAL A 11 -9.391 -1.752 -24.938 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.976 -2.764 -26.072 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.107 -3.806 -26.062 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.986 -5.711 -27.378 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.708 -5.670 -25.752 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.643 -5.101 -27.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.364 -3.575 -28.524 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.020 -2.966 -28.293 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.633 -2.017 -27.707 1.00 0.00 H new ATOM 163 N CYS A 12 -12.531 -4.208 -24.150 1.00 0.00 N ATOM 164 CA CYS A 12 -12.921 -5.011 -22.953 1.00 0.00 C ATOM 165 C CYS A 12 -12.722 -6.501 -23.229 1.00 0.00 C ATOM 166 O CYS A 12 -13.290 -7.061 -24.144 1.00 0.00 O ATOM 167 CB CYS A 12 -14.391 -4.741 -22.623 1.00 0.00 C ATOM 168 SG CYS A 12 -14.974 -5.951 -21.410 1.00 0.00 S ATOM 0 H CYS A 12 -13.289 -4.031 -24.810 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.294 -4.724 -22.109 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.506 -3.731 -22.229 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.994 -4.800 -23.529 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.222 -5.718 -21.130 1.00 0.00 H new ATOM 174 N GLU A 13 -11.928 -7.146 -22.419 1.00 0.00 N ATOM 175 CA GLU A 13 -11.682 -8.608 -22.594 1.00 0.00 C ATOM 176 C GLU A 13 -12.678 -9.382 -21.726 1.00 0.00 C ATOM 177 O GLU A 13 -12.804 -10.585 -21.833 1.00 0.00 O ATOM 178 CB GLU A 13 -10.250 -8.937 -22.157 1.00 0.00 C ATOM 179 CG GLU A 13 -9.254 -8.238 -23.090 1.00 0.00 C ATOM 180 CD GLU A 13 -9.389 -8.800 -24.508 1.00 0.00 C ATOM 181 OE1 GLU A 13 -9.924 -9.889 -24.645 1.00 0.00 O ATOM 182 OE2 GLU A 13 -8.963 -8.129 -25.433 1.00 0.00 O ATOM 0 H GLU A 13 -11.434 -6.719 -21.635 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.810 -8.888 -23.640 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.089 -8.613 -21.129 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.091 -10.015 -22.180 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.439 -7.164 -23.096 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.237 -8.384 -22.726 1.00 0.00 H new ATOM 189 N ALA A 14 -13.385 -8.685 -20.868 1.00 0.00 N ATOM 190 CA ALA A 14 -14.387 -9.342 -19.972 1.00 0.00 C ATOM 191 C ALA A 14 -13.783 -10.604 -19.355 1.00 0.00 C ATOM 192 O ALA A 14 -14.477 -11.426 -18.793 1.00 0.00 O ATOM 193 CB ALA A 14 -15.639 -9.698 -20.777 1.00 0.00 C ATOM 0 H ALA A 14 -13.308 -7.675 -20.750 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.661 -8.655 -19.171 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.368 -10.177 -20.123 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.071 -8.790 -21.199 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.371 -10.381 -21.583 1.00 0.00 H new ATOM 199 N CYS A 15 -12.494 -10.749 -19.457 1.00 0.00 N ATOM 200 CA CYS A 15 -11.811 -11.944 -18.886 1.00 0.00 C ATOM 201 C CYS A 15 -11.804 -11.848 -17.359 1.00 0.00 C ATOM 202 O CYS A 15 -11.827 -12.845 -16.665 1.00 0.00 O ATOM 203 CB CYS A 15 -10.367 -11.991 -19.403 1.00 0.00 C ATOM 204 SG CYS A 15 -9.740 -13.682 -19.264 1.00 0.00 S ATOM 0 H CYS A 15 -11.875 -10.082 -19.918 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.339 -12.848 -19.187 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.329 -11.660 -20.441 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.740 -11.310 -18.828 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.517 -13.729 -19.703 1.00 0.00 H new ATOM 210 N GLY A 16 -11.753 -10.652 -16.841 1.00 0.00 N ATOM 211 CA GLY A 16 -11.728 -10.461 -15.361 1.00 0.00 C ATOM 212 C GLY A 16 -13.149 -10.557 -14.816 1.00 0.00 C ATOM 213 O GLY A 16 -13.374 -10.504 -13.624 1.00 0.00 O ATOM 0 H GLY A 16 -11.727 -9.789 -17.385 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.096 -11.218 -14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.297 -9.491 -15.115 1.00 0.00 H new ATOM 217 N CYS A 17 -14.109 -10.693 -15.690 1.00 0.00 N ATOM 218 CA CYS A 17 -15.532 -10.788 -15.251 1.00 0.00 C ATOM 219 C CYS A 17 -15.833 -12.217 -14.803 1.00 0.00 C ATOM 220 O CYS A 17 -16.724 -12.868 -15.312 1.00 0.00 O ATOM 221 CB CYS A 17 -16.446 -10.401 -16.419 1.00 0.00 C ATOM 222 SG CYS A 17 -16.110 -8.689 -16.903 1.00 0.00 S ATOM 0 H CYS A 17 -13.967 -10.743 -16.699 1.00 0.00 H new ATOM 0 HA CYS A 17 -15.707 -10.110 -14.416 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -16.278 -11.069 -17.264 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -17.491 -10.510 -16.129 1.00 0.00 H new ATOM 0 HG CYS A 17 -16.882 -8.359 -17.895 1.00 0.00 H new ATOM 228 N ALA A 18 -15.098 -12.699 -13.838 1.00 0.00 N ATOM 229 CA ALA A 18 -15.330 -14.077 -13.324 1.00 0.00 C ATOM 230 C ALA A 18 -14.499 -14.305 -12.058 1.00 0.00 C ATOM 231 O ALA A 18 -13.316 -14.582 -12.110 1.00 0.00 O ATOM 232 CB ALA A 18 -14.947 -15.099 -14.393 1.00 0.00 C ATOM 0 H ALA A 18 -14.340 -12.192 -13.381 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.386 -14.197 -13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.119 -16.106 -14.012 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.555 -14.939 -15.283 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.894 -14.982 -14.647 1.00 0.00 H new ATOM 238 N GLY A 19 -15.131 -14.203 -10.921 1.00 0.00 N ATOM 239 CA GLY A 19 -14.432 -14.427 -9.621 1.00 0.00 C ATOM 240 C GLY A 19 -13.467 -13.286 -9.314 1.00 0.00 C ATOM 241 O GLY A 19 -13.393 -12.303 -10.024 1.00 0.00 O ATOM 0 H GLY A 19 -16.120 -13.970 -10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.166 -14.513 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.886 -15.370 -9.655 1.00 0.00 H new ATOM 245 N GLU A 20 -12.730 -13.424 -8.244 1.00 0.00 N ATOM 246 CA GLU A 20 -11.754 -12.372 -7.839 1.00 0.00 C ATOM 247 C GLU A 20 -10.585 -12.344 -8.819 1.00 0.00 C ATOM 248 O GLU A 20 -10.006 -13.356 -9.152 1.00 0.00 O ATOM 249 CB GLU A 20 -11.234 -12.669 -6.426 1.00 0.00 C ATOM 250 CG GLU A 20 -12.362 -12.460 -5.410 1.00 0.00 C ATOM 251 CD GLU A 20 -11.881 -12.845 -4.006 1.00 0.00 C ATOM 252 OE1 GLU A 20 -10.741 -13.264 -3.880 1.00 0.00 O ATOM 253 OE2 GLU A 20 -12.664 -12.715 -3.079 1.00 0.00 O ATOM 0 H GLU A 20 -12.764 -14.234 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.250 -11.402 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.866 -13.693 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.394 -12.015 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.684 -11.419 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.227 -13.063 -5.685 1.00 0.00 H new ATOM 260 N ILE A 21 -10.246 -11.177 -9.285 1.00 0.00 N ATOM 261 CA ILE A 21 -9.126 -11.032 -10.262 1.00 0.00 C ATOM 262 C ILE A 21 -7.812 -10.763 -9.526 1.00 0.00 C ATOM 263 O ILE A 21 -7.733 -9.939 -8.636 1.00 0.00 O ATOM 264 CB ILE A 21 -9.438 -9.863 -11.223 1.00 0.00 C ATOM 265 CG1 ILE A 21 -10.185 -8.736 -10.465 1.00 0.00 C ATOM 266 CG2 ILE A 21 -10.304 -10.374 -12.387 1.00 0.00 C ATOM 267 CD1 ILE A 21 -11.706 -8.965 -10.522 1.00 0.00 C ATOM 0 H ILE A 21 -10.703 -10.302 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 21 -9.023 -11.956 -10.830 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.504 -9.462 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.854 -8.707 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.940 -7.769 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.525 -9.550 -13.065 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.766 -11.154 -12.926 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.236 -10.781 -11.995 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.215 -8.165 -9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.034 -8.970 -11.561 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.947 -9.922 -10.060 1.00 0.00 H new ATOM 279 N GLY A 22 -6.783 -11.462 -9.920 1.00 0.00 N ATOM 280 CA GLY A 22 -5.439 -11.288 -9.294 1.00 0.00 C ATOM 281 C GLY A 22 -5.387 -12.070 -7.984 1.00 0.00 C ATOM 282 O GLY A 22 -4.570 -11.807 -7.125 1.00 0.00 O ATOM 0 H GLY A 22 -6.817 -12.160 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.661 -11.640 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.246 -10.231 -9.108 1.00 0.00 H new ATOM 286 N PHE A 23 -6.258 -13.031 -7.831 1.00 0.00 N ATOM 287 CA PHE A 23 -6.291 -13.846 -6.579 1.00 0.00 C ATOM 288 C PHE A 23 -5.493 -15.141 -6.788 1.00 0.00 C ATOM 289 O PHE A 23 -5.214 -15.861 -5.850 1.00 0.00 O ATOM 290 CB PHE A 23 -7.752 -14.192 -6.263 1.00 0.00 C ATOM 291 CG PHE A 23 -7.820 -15.020 -5.002 1.00 0.00 C ATOM 292 CD1 PHE A 23 -7.648 -14.406 -3.756 1.00 0.00 C ATOM 293 CD2 PHE A 23 -8.056 -16.399 -5.076 1.00 0.00 C ATOM 294 CE1 PHE A 23 -7.710 -15.169 -2.585 1.00 0.00 C ATOM 295 CE2 PHE A 23 -8.119 -17.162 -3.904 1.00 0.00 C ATOM 296 CZ PHE A 23 -7.946 -16.546 -2.659 1.00 0.00 C ATOM 0 H PHE A 23 -6.957 -13.290 -8.528 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.851 -13.284 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.334 -13.278 -6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.193 -14.742 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.467 -13.343 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.189 -16.873 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.576 -14.695 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.301 -18.225 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.995 -17.134 -1.755 1.00 0.00 H new ATOM 306 N ILE A 24 -5.121 -15.433 -8.007 1.00 0.00 N ATOM 307 CA ILE A 24 -4.338 -16.676 -8.283 1.00 0.00 C ATOM 308 C ILE A 24 -2.851 -16.415 -8.006 1.00 0.00 C ATOM 309 O ILE A 24 -2.069 -17.334 -7.866 1.00 0.00 O ATOM 310 CB ILE A 24 -4.533 -17.090 -9.753 1.00 0.00 C ATOM 311 CG1 ILE A 24 -3.735 -18.368 -10.036 1.00 0.00 C ATOM 312 CG2 ILE A 24 -4.049 -15.975 -10.686 1.00 0.00 C ATOM 313 CD1 ILE A 24 -4.163 -18.960 -11.384 1.00 0.00 C ATOM 0 H ILE A 24 -5.326 -14.862 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.687 -17.480 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.593 -17.269 -9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.668 -18.146 -10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.900 -19.095 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.192 -16.280 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.619 -15.066 -10.493 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.991 -15.784 -10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.593 -19.868 -11.580 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.226 -19.198 -11.356 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.975 -18.235 -12.176 1.00 0.00 H new ATOM 325 N ILE A 25 -2.460 -15.166 -7.923 1.00 0.00 N ATOM 326 CA ILE A 25 -1.024 -14.831 -7.653 1.00 0.00 C ATOM 327 C ILE A 25 -0.642 -15.335 -6.257 1.00 0.00 C ATOM 328 O ILE A 25 0.419 -15.890 -6.056 1.00 0.00 O ATOM 329 CB ILE A 25 -0.824 -13.309 -7.721 1.00 0.00 C ATOM 330 CG1 ILE A 25 -1.024 -12.832 -9.165 1.00 0.00 C ATOM 331 CG2 ILE A 25 0.596 -12.960 -7.263 1.00 0.00 C ATOM 332 CD1 ILE A 25 -1.113 -11.302 -9.203 1.00 0.00 C ATOM 0 H ILE A 25 -3.076 -14.360 -8.031 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.393 -15.309 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.548 -12.818 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.196 -13.172 -9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.933 -13.268 -9.578 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.739 -11.880 -7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.742 -13.300 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.319 -13.451 -7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.255 -10.971 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.956 -10.971 -8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.192 -10.874 -8.808 1.00 0.00 H new ATOM 344 N ARG A 26 -1.506 -15.133 -5.302 1.00 0.00 N ATOM 345 CA ARG A 26 -1.236 -15.582 -3.903 1.00 0.00 C ATOM 346 C ARG A 26 0.073 -14.994 -3.381 1.00 0.00 C ATOM 347 O ARG A 26 0.804 -14.332 -4.091 1.00 0.00 O ATOM 348 CB ARG A 26 -1.160 -17.107 -3.852 1.00 0.00 C ATOM 349 CG ARG A 26 -2.549 -17.697 -4.111 1.00 0.00 C ATOM 350 CD ARG A 26 -2.455 -19.226 -4.177 1.00 0.00 C ATOM 351 NE ARG A 26 -2.029 -19.760 -2.849 1.00 0.00 N ATOM 352 CZ ARG A 26 -1.789 -21.037 -2.696 1.00 0.00 C ATOM 353 NH1 ARG A 26 -1.915 -21.864 -3.703 1.00 0.00 N ATOM 354 NH2 ARG A 26 -1.423 -21.491 -1.530 1.00 0.00 N ATOM 0 H ARG A 26 -2.404 -14.668 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.052 -15.231 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.454 -17.472 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.791 -17.431 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.235 -17.399 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.952 -17.307 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.420 -19.648 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.742 -19.524 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.925 -19.126 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.203 -21.514 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.726 -22.858 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.325 -20.851 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.235 -22.486 -1.406 1.00 0.00 H new ATOM 368 N GLU A 27 0.352 -15.232 -2.125 1.00 0.00 N ATOM 369 CA GLU A 27 1.592 -14.696 -1.486 1.00 0.00 C ATOM 370 C GLU A 27 2.824 -15.396 -2.056 1.00 0.00 C ATOM 371 O GLU A 27 3.339 -16.341 -1.493 1.00 0.00 O ATOM 372 CB GLU A 27 1.514 -14.917 0.030 1.00 0.00 C ATOM 373 CG GLU A 27 2.743 -14.295 0.695 1.00 0.00 C ATOM 374 CD GLU A 27 2.627 -14.408 2.217 1.00 0.00 C ATOM 375 OE1 GLU A 27 1.764 -15.139 2.676 1.00 0.00 O ATOM 376 OE2 GLU A 27 3.404 -13.758 2.899 1.00 0.00 O ATOM 0 H GLU A 27 -0.238 -15.785 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 27 1.674 -13.629 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.604 -14.468 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.467 -15.983 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.647 -14.799 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.833 -13.248 0.405 1.00 0.00 H new ATOM 383 N GLY A 28 3.296 -14.917 -3.173 1.00 0.00 N ATOM 384 CA GLY A 28 4.499 -15.514 -3.822 1.00 0.00 C ATOM 385 C GLY A 28 5.771 -14.923 -3.217 1.00 0.00 C ATOM 386 O GLY A 28 5.733 -14.006 -2.420 1.00 0.00 O ATOM 0 H GLY A 28 2.893 -14.124 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.493 -16.596 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.475 -15.323 -4.895 1.00 0.00 H new ATOM 390 N ASP A 29 6.897 -15.453 -3.604 1.00 0.00 N ATOM 391 CA ASP A 29 8.201 -14.955 -3.079 1.00 0.00 C ATOM 392 C ASP A 29 8.468 -13.555 -3.627 1.00 0.00 C ATOM 393 O ASP A 29 9.163 -12.765 -3.023 1.00 0.00 O ATOM 394 CB ASP A 29 9.323 -15.896 -3.537 1.00 0.00 C ATOM 395 CG ASP A 29 9.229 -17.220 -2.773 1.00 0.00 C ATOM 396 OD1 ASP A 29 8.532 -17.256 -1.774 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.858 -18.173 -3.203 1.00 0.00 O ATOM 0 H ASP A 29 6.971 -16.221 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 29 8.167 -14.922 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.244 -16.077 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.294 -15.432 -3.363 1.00 0.00 H new ATOM 402 N ASP A 30 7.918 -13.247 -4.771 1.00 0.00 N ATOM 403 CA ASP A 30 8.127 -11.900 -5.384 1.00 0.00 C ATOM 404 C ASP A 30 6.928 -11.018 -5.054 1.00 0.00 C ATOM 405 O ASP A 30 6.635 -10.064 -5.745 1.00 0.00 O ATOM 406 CB ASP A 30 8.274 -12.045 -6.906 1.00 0.00 C ATOM 407 CG ASP A 30 7.059 -12.768 -7.498 1.00 0.00 C ATOM 408 OD1 ASP A 30 6.070 -12.907 -6.798 1.00 0.00 O ATOM 409 OD2 ASP A 30 7.144 -13.171 -8.647 1.00 0.00 O ATOM 0 H ASP A 30 7.327 -13.877 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 30 9.034 -11.445 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.376 -11.060 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.183 -12.600 -7.138 1.00 0.00 H new ATOM 414 N VAL A 31 6.236 -11.338 -3.988 1.00 0.00 N ATOM 415 CA VAL A 31 5.041 -10.537 -3.574 1.00 0.00 C ATOM 416 C VAL A 31 5.310 -9.888 -2.218 1.00 0.00 C ATOM 417 O VAL A 31 5.790 -10.513 -1.293 1.00 0.00 O ATOM 418 CB VAL A 31 3.820 -11.455 -3.477 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.668 -10.708 -2.798 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.396 -11.872 -4.887 1.00 0.00 C ATOM 0 H VAL A 31 6.450 -12.129 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 31 4.847 -9.760 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 31 4.071 -12.338 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.800 -11.363 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.972 -10.403 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.411 -9.825 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.526 -12.526 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.143 -10.985 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.216 -12.402 -5.372 1.00 0.00 H new ATOM 430 N ALA A 32 5.001 -8.625 -2.108 1.00 0.00 N ATOM 431 CA ALA A 32 5.232 -7.885 -0.831 1.00 0.00 C ATOM 432 C ALA A 32 3.940 -7.816 -0.023 1.00 0.00 C ATOM 433 O ALA A 32 2.847 -7.878 -0.553 1.00 0.00 O ATOM 434 CB ALA A 32 5.712 -6.465 -1.146 1.00 0.00 C ATOM 0 H ALA A 32 4.593 -8.066 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 32 5.989 -8.409 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.881 -5.923 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.642 -6.513 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.955 -5.947 -1.735 1.00 0.00 H new ATOM 440 N GLU A 33 4.076 -7.689 1.269 1.00 0.00 N ATOM 441 CA GLU A 33 2.886 -7.618 2.166 1.00 0.00 C ATOM 442 C GLU A 33 2.635 -6.170 2.565 1.00 0.00 C ATOM 443 O GLU A 33 3.494 -5.502 3.102 1.00 0.00 O ATOM 444 CB GLU A 33 3.145 -8.456 3.424 1.00 0.00 C ATOM 445 CG GLU A 33 1.869 -8.523 4.268 1.00 0.00 C ATOM 446 CD GLU A 33 0.809 -9.355 3.538 1.00 0.00 C ATOM 447 OE1 GLU A 33 1.144 -9.960 2.532 1.00 0.00 O ATOM 448 OE2 GLU A 33 -0.319 -9.376 4.000 1.00 0.00 O ATOM 0 H GLU A 33 4.974 -7.631 1.748 1.00 0.00 H new ATOM 0 HA GLU A 33 2.013 -8.007 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.462 -9.461 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.955 -8.016 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.087 -8.966 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.491 -7.518 4.454 1.00 0.00 H new ATOM 455 N VAL A 34 1.448 -5.692 2.306 1.00 0.00 N ATOM 456 CA VAL A 34 1.092 -4.284 2.660 1.00 0.00 C ATOM 457 C VAL A 34 -0.152 -4.275 3.546 1.00 0.00 C ATOM 458 O VAL A 34 -1.151 -4.905 3.257 1.00 0.00 O ATOM 459 CB VAL A 34 0.824 -3.487 1.379 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.208 -2.132 1.743 1.00 0.00 C ATOM 461 CG2 VAL A 34 2.146 -3.260 0.639 1.00 0.00 C ATOM 0 H VAL A 34 0.700 -6.222 1.859 1.00 0.00 H new ATOM 0 HA VAL A 34 1.919 -3.826 3.202 1.00 0.00 H new ATOM 0 HB VAL A 34 0.136 -4.041 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.016 -1.563 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.729 -2.290 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.898 -1.578 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.960 -2.693 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.830 -2.703 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.590 -4.222 0.384 1.00 0.00 H new ATOM 471 N SER A 35 -0.086 -3.540 4.622 1.00 0.00 N ATOM 472 CA SER A 35 -1.240 -3.440 5.562 1.00 0.00 C ATOM 473 C SER A 35 -1.433 -1.984 5.972 1.00 0.00 C ATOM 474 O SER A 35 -0.486 -1.262 6.221 1.00 0.00 O ATOM 475 CB SER A 35 -0.963 -4.288 6.801 1.00 0.00 C ATOM 476 OG SER A 35 -2.085 -4.224 7.671 1.00 0.00 O ATOM 0 H SER A 35 0.732 -2.995 4.894 1.00 0.00 H new ATOM 0 HA SER A 35 -2.143 -3.802 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.769 -5.321 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.070 -3.927 7.312 1.00 0.00 H new ATOM 0 HG SER A 35 -1.913 -4.768 8.467 1.00 0.00 H new ATOM 482 N LEU A 36 -2.664 -1.551 6.038 1.00 0.00 N ATOM 483 CA LEU A 36 -2.967 -0.140 6.422 1.00 0.00 C ATOM 484 C LEU A 36 -3.965 -0.114 7.576 1.00 0.00 C ATOM 485 O LEU A 36 -4.916 -0.869 7.617 1.00 0.00 O ATOM 486 CB LEU A 36 -3.553 0.603 5.218 1.00 0.00 C ATOM 487 CG LEU A 36 -3.763 2.083 5.576 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.405 2.757 5.851 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.469 2.795 4.417 1.00 0.00 C ATOM 0 H LEU A 36 -3.485 -2.123 5.839 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.046 0.349 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.882 0.517 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.501 0.151 4.926 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.379 2.150 6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.564 3.805 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.911 2.254 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.778 2.689 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.618 3.844 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.856 2.723 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.436 2.325 4.236 1.00 0.00 H new ATOM 501 N PHE A 37 -3.744 0.773 8.510 1.00 0.00 N ATOM 502 CA PHE A 37 -4.650 0.901 9.693 1.00 0.00 C ATOM 503 C PHE A 37 -5.392 2.234 9.631 1.00 0.00 C ATOM 504 O PHE A 37 -4.868 3.239 9.191 1.00 0.00 O ATOM 505 CB PHE A 37 -3.816 0.847 10.974 1.00 0.00 C ATOM 506 CG PHE A 37 -3.200 -0.524 11.114 1.00 0.00 C ATOM 507 CD1 PHE A 37 -3.904 -1.543 11.765 1.00 0.00 C ATOM 508 CD2 PHE A 37 -1.926 -0.778 10.591 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.334 -2.816 11.895 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.356 -2.049 10.720 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.060 -3.068 11.372 1.00 0.00 C ATOM 0 H PHE A 37 -2.961 1.426 8.504 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.372 0.084 9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.035 1.607 10.945 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.443 1.066 11.839 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.887 -1.348 12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.383 0.008 10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.877 -3.602 12.398 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.373 -2.244 10.317 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.620 -4.049 11.472 1.00 0.00 H new ATOM 521 N GLY A 38 -6.619 2.238 10.074 1.00 0.00 N ATOM 522 CA GLY A 38 -7.427 3.489 10.054 1.00 0.00 C ATOM 523 C GLY A 38 -8.733 3.287 10.822 1.00 0.00 C ATOM 524 O GLY A 38 -9.037 2.210 11.300 1.00 0.00 O ATOM 0 H GLY A 38 -7.100 1.422 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.858 4.305 10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.643 3.775 9.024 1.00 0.00 H new ATOM 528 N SER A 39 -9.500 4.334 10.942 1.00 0.00 N ATOM 529 CA SER A 39 -10.794 4.258 11.674 1.00 0.00 C ATOM 530 C SER A 39 -11.885 3.725 10.742 1.00 0.00 C ATOM 531 O SER A 39 -12.347 2.614 10.890 1.00 0.00 O ATOM 532 CB SER A 39 -11.178 5.660 12.165 1.00 0.00 C ATOM 533 OG SER A 39 -10.010 6.337 12.615 1.00 0.00 O ATOM 0 H SER A 39 -9.281 5.253 10.558 1.00 0.00 H new ATOM 0 HA SER A 39 -10.692 3.585 12.526 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.651 6.223 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.905 5.588 12.974 1.00 0.00 H new ATOM 0 HG SER A 39 -10.252 7.234 12.928 1.00 0.00 H new ATOM 539 N ASP A 40 -12.308 4.519 9.790 1.00 0.00 N ATOM 540 CA ASP A 40 -13.386 4.073 8.850 1.00 0.00 C ATOM 541 C ASP A 40 -12.784 3.579 7.535 1.00 0.00 C ATOM 542 O ASP A 40 -11.667 3.900 7.178 1.00 0.00 O ATOM 543 CB ASP A 40 -14.332 5.246 8.571 1.00 0.00 C ATOM 544 CG ASP A 40 -15.550 4.744 7.792 1.00 0.00 C ATOM 545 OD1 ASP A 40 -16.252 3.891 8.312 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.762 5.221 6.688 1.00 0.00 O ATOM 0 H ASP A 40 -11.953 5.460 9.622 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.936 3.252 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.649 5.702 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.814 6.017 8.000 1.00 0.00 H new ATOM 551 N LYS A 41 -13.538 2.791 6.819 1.00 0.00 N ATOM 552 CA LYS A 41 -13.068 2.240 5.516 1.00 0.00 C ATOM 553 C LYS A 41 -12.817 3.375 4.522 1.00 0.00 C ATOM 554 O LYS A 41 -11.847 3.365 3.790 1.00 0.00 O ATOM 555 CB LYS A 41 -14.146 1.302 4.954 1.00 0.00 C ATOM 556 CG LYS A 41 -13.680 0.717 3.617 1.00 0.00 C ATOM 557 CD LYS A 41 -14.705 -0.305 3.118 1.00 0.00 C ATOM 558 CE LYS A 41 -14.231 -0.902 1.791 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.288 0.142 0.730 1.00 0.00 N ATOM 0 H LYS A 41 -14.478 2.500 7.087 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.137 1.694 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.347 0.498 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.080 1.847 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.559 1.513 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.706 0.242 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.836 -1.095 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.676 0.173 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.213 -1.278 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.858 -1.750 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.489 0.016 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.182 0.055 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.233 1.084 1.167 1.00 0.00 H new ATOM 573 N ALA A 42 -13.693 4.340 4.482 1.00 0.00 N ATOM 574 CA ALA A 42 -13.537 5.473 3.522 1.00 0.00 C ATOM 575 C ALA A 42 -12.124 6.041 3.620 1.00 0.00 C ATOM 576 O ALA A 42 -11.494 6.335 2.623 1.00 0.00 O ATOM 577 CB ALA A 42 -14.545 6.574 3.873 1.00 0.00 C ATOM 0 H ALA A 42 -14.519 4.394 5.078 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.715 5.114 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.435 7.404 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.557 6.175 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.360 6.927 4.888 1.00 0.00 H new ATOM 583 N HIS A 43 -11.629 6.199 4.813 1.00 0.00 N ATOM 584 CA HIS A 43 -10.257 6.749 4.997 1.00 0.00 C ATOM 585 C HIS A 43 -9.230 5.747 4.468 1.00 0.00 C ATOM 586 O HIS A 43 -8.270 6.114 3.819 1.00 0.00 O ATOM 587 CB HIS A 43 -10.005 6.990 6.492 1.00 0.00 C ATOM 588 CG HIS A 43 -10.833 8.156 6.955 1.00 0.00 C ATOM 589 ND1 HIS A 43 -10.729 9.408 6.372 1.00 0.00 N ATOM 590 CD2 HIS A 43 -11.782 8.278 7.940 1.00 0.00 C ATOM 591 CE1 HIS A 43 -11.594 10.222 7.003 1.00 0.00 C ATOM 592 NE2 HIS A 43 -12.262 9.585 7.968 1.00 0.00 N ATOM 0 H HIS A 43 -12.119 5.969 5.677 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.165 7.688 4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.261 6.098 7.064 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.948 7.188 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.107 7.482 8.593 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.732 11.265 6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.971 9.972 8.591 1.00 0.00 H new ATOM 600 N LEU A 44 -9.426 4.487 4.753 1.00 0.00 N ATOM 601 CA LEU A 44 -8.470 3.439 4.285 1.00 0.00 C ATOM 602 C LEU A 44 -8.478 3.376 2.758 1.00 0.00 C ATOM 603 O LEU A 44 -7.442 3.291 2.129 1.00 0.00 O ATOM 604 CB LEU A 44 -8.897 2.077 4.850 1.00 0.00 C ATOM 605 CG LEU A 44 -8.664 2.047 6.369 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.353 0.818 6.975 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.151 1.988 6.670 1.00 0.00 C ATOM 0 H LEU A 44 -10.215 4.135 5.295 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.466 3.686 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.949 1.896 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.329 1.280 4.370 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.083 2.952 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.185 0.801 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.423 0.866 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.941 -0.087 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.995 1.967 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.726 1.088 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.662 2.867 6.250 1.00 0.00 H new ATOM 619 N GLU A 45 -9.638 3.412 2.165 1.00 0.00 N ATOM 620 CA GLU A 45 -9.736 3.351 0.681 1.00 0.00 C ATOM 621 C GLU A 45 -9.129 4.621 0.080 1.00 0.00 C ATOM 622 O GLU A 45 -8.450 4.579 -0.931 1.00 0.00 O ATOM 623 CB GLU A 45 -11.228 3.253 0.286 1.00 0.00 C ATOM 624 CG GLU A 45 -11.618 1.786 0.098 1.00 0.00 C ATOM 625 CD GLU A 45 -11.240 0.980 1.342 1.00 0.00 C ATOM 626 OE1 GLU A 45 -11.204 1.559 2.412 1.00 0.00 O ATOM 627 OE2 GLU A 45 -10.989 -0.206 1.198 1.00 0.00 O ATOM 0 H GLU A 45 -10.532 3.482 2.651 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.195 2.482 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.849 3.708 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.407 3.808 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.690 1.707 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.114 1.377 -0.778 1.00 0.00 H new ATOM 634 N GLY A 46 -9.384 5.746 0.690 1.00 0.00 N ATOM 635 CA GLY A 46 -8.849 7.036 0.165 1.00 0.00 C ATOM 636 C GLY A 46 -7.323 6.993 0.152 1.00 0.00 C ATOM 637 O GLY A 46 -6.689 7.386 -0.807 1.00 0.00 O ATOM 0 H GLY A 46 -9.945 5.828 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.226 7.214 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.194 7.863 0.785 1.00 0.00 H new ATOM 641 N LYS A 47 -6.737 6.513 1.212 1.00 0.00 N ATOM 642 CA LYS A 47 -5.252 6.427 1.292 1.00 0.00 C ATOM 643 C LYS A 47 -4.764 5.331 0.350 1.00 0.00 C ATOM 644 O LYS A 47 -3.638 5.344 -0.106 1.00 0.00 O ATOM 645 CB LYS A 47 -4.843 6.092 2.731 1.00 0.00 C ATOM 646 CG LYS A 47 -5.084 7.312 3.628 1.00 0.00 C ATOM 647 CD LYS A 47 -4.806 6.946 5.093 1.00 0.00 C ATOM 648 CE LYS A 47 -3.295 6.909 5.348 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.040 6.811 6.810 1.00 0.00 N ATOM 0 H LYS A 47 -7.230 6.172 2.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.808 7.379 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.418 5.240 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.792 5.805 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.438 8.134 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.112 7.657 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.277 7.674 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.246 5.976 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.849 6.058 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.826 7.807 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.312 7.502 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.919 7.010 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.711 5.852 7.041 1.00 0.00 H new ATOM 663 N LEU A 48 -5.602 4.373 0.071 1.00 0.00 N ATOM 664 CA LEU A 48 -5.193 3.261 -0.822 1.00 0.00 C ATOM 665 C LEU A 48 -4.845 3.821 -2.202 1.00 0.00 C ATOM 666 O LEU A 48 -3.854 3.462 -2.796 1.00 0.00 O ATOM 667 CB LEU A 48 -6.371 2.265 -0.961 1.00 0.00 C ATOM 668 CG LEU A 48 -5.833 0.853 -1.241 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.950 0.872 -2.497 1.00 0.00 C ATOM 670 CD2 LEU A 48 -5.003 0.367 -0.028 1.00 0.00 C ATOM 0 H LEU A 48 -6.556 4.314 0.426 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.324 2.753 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.966 2.262 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.031 2.579 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.670 0.174 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.571 -0.132 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.538 1.209 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.112 1.552 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.621 -0.635 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.168 1.048 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.635 0.345 0.860 1.00 0.00 H new ATOM 682 N ALA A 49 -5.657 4.696 -2.708 1.00 0.00 N ATOM 683 CA ALA A 49 -5.392 5.277 -4.058 1.00 0.00 C ATOM 684 C ALA A 49 -3.979 5.860 -4.094 1.00 0.00 C ATOM 685 O ALA A 49 -3.294 5.796 -5.098 1.00 0.00 O ATOM 686 CB ALA A 49 -6.408 6.396 -4.327 1.00 0.00 C ATOM 0 H ALA A 49 -6.499 5.040 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.483 4.500 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.223 6.827 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.418 5.986 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.306 7.170 -3.567 1.00 0.00 H new ATOM 692 N GLU A 50 -3.543 6.424 -3.003 1.00 0.00 N ATOM 693 CA GLU A 50 -2.177 7.019 -2.949 1.00 0.00 C ATOM 694 C GLU A 50 -1.136 5.899 -3.007 1.00 0.00 C ATOM 695 O GLU A 50 -0.088 6.040 -3.607 1.00 0.00 O ATOM 696 CB GLU A 50 -2.018 7.790 -1.631 1.00 0.00 C ATOM 697 CG GLU A 50 -3.020 8.951 -1.582 1.00 0.00 C ATOM 698 CD GLU A 50 -2.708 9.957 -2.693 1.00 0.00 C ATOM 699 OE1 GLU A 50 -1.569 10.384 -2.779 1.00 0.00 O ATOM 700 OE2 GLU A 50 -3.617 10.284 -3.439 1.00 0.00 O ATOM 0 H GLU A 50 -4.079 6.499 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.035 7.695 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.181 7.121 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.001 8.172 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.035 8.572 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.973 9.443 -0.610 1.00 0.00 H new ATOM 707 N TYR A 51 -1.420 4.793 -2.374 1.00 0.00 N ATOM 708 CA TYR A 51 -0.463 3.643 -2.360 1.00 0.00 C ATOM 709 C TYR A 51 -0.274 3.120 -3.782 1.00 0.00 C ATOM 710 O TYR A 51 0.813 2.751 -4.178 1.00 0.00 O ATOM 711 CB TYR A 51 -1.032 2.518 -1.468 1.00 0.00 C ATOM 712 CG TYR A 51 -0.683 2.777 -0.018 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.906 4.040 0.546 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.129 1.754 0.760 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.577 4.278 1.882 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.199 1.993 2.099 1.00 0.00 C ATOM 717 CZ TYR A 51 -0.024 3.256 2.659 1.00 0.00 C ATOM 718 OH TYR A 51 0.304 3.494 3.977 1.00 0.00 O ATOM 0 H TYR A 51 -2.285 4.633 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 51 0.498 3.972 -1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.114 2.463 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.628 1.555 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.333 4.831 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.045 0.780 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.750 5.252 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.624 1.203 2.700 1.00 0.00 H new ATOM 0 HH TYR A 51 0.449 2.641 4.437 1.00 0.00 H new ATOM 728 N ILE A 52 -1.332 3.073 -4.544 1.00 0.00 N ATOM 729 CA ILE A 52 -1.236 2.563 -5.942 1.00 0.00 C ATOM 730 C ILE A 52 -0.340 3.483 -6.762 1.00 0.00 C ATOM 731 O ILE A 52 0.496 3.029 -7.518 1.00 0.00 O ATOM 732 CB ILE A 52 -2.635 2.533 -6.576 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.605 1.754 -5.674 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.554 1.857 -7.944 1.00 0.00 C ATOM 735 CD1 ILE A 52 -3.020 0.383 -5.329 1.00 0.00 C ATOM 0 H ILE A 52 -2.265 3.368 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.816 1.557 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.000 3.554 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.795 2.317 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.564 1.632 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.545 1.834 -8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.874 2.416 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.185 0.838 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.716 -0.159 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.853 -0.183 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.073 0.513 -4.806 1.00 0.00 H new ATOM 747 N SER A 53 -0.516 4.768 -6.623 1.00 0.00 N ATOM 748 CA SER A 53 0.319 5.733 -7.398 1.00 0.00 C ATOM 749 C SER A 53 1.792 5.539 -7.039 1.00 0.00 C ATOM 750 O SER A 53 2.658 5.572 -7.892 1.00 0.00 O ATOM 751 CB SER A 53 -0.106 7.166 -7.050 1.00 0.00 C ATOM 752 OG SER A 53 -1.451 7.371 -7.461 1.00 0.00 O ATOM 0 H SER A 53 -1.205 5.195 -6.004 1.00 0.00 H new ATOM 0 HA SER A 53 0.180 5.558 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.012 7.335 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.550 7.882 -7.544 1.00 0.00 H new ATOM 0 HG SER A 53 -1.725 8.285 -7.238 1.00 0.00 H new ATOM 758 N LEU A 54 2.077 5.346 -5.782 1.00 0.00 N ATOM 759 CA LEU A 54 3.488 5.149 -5.340 1.00 0.00 C ATOM 760 C LEU A 54 4.035 3.863 -5.955 1.00 0.00 C ATOM 761 O LEU A 54 5.176 3.795 -6.367 1.00 0.00 O ATOM 762 CB LEU A 54 3.528 5.030 -3.807 1.00 0.00 C ATOM 763 CG LEU A 54 3.135 6.371 -3.166 1.00 0.00 C ATOM 764 CD1 LEU A 54 2.965 6.187 -1.652 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.223 7.429 -3.438 1.00 0.00 C ATOM 0 H LEU A 54 1.386 5.316 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 54 4.093 5.997 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.847 4.246 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.528 4.741 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 54 2.194 6.709 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.686 7.138 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.184 5.451 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.904 5.840 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.934 8.375 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.170 7.095 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.336 7.567 -4.513 1.00 0.00 H new ATOM 777 N ALA A 55 3.226 2.841 -5.994 1.00 0.00 N ATOM 778 CA ALA A 55 3.670 1.532 -6.554 1.00 0.00 C ATOM 779 C ALA A 55 4.134 1.708 -7.999 1.00 0.00 C ATOM 780 O ALA A 55 5.171 1.211 -8.391 1.00 0.00 O ATOM 781 CB ALA A 55 2.491 0.551 -6.523 1.00 0.00 C ATOM 0 H ALA A 55 2.263 2.857 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 55 4.497 1.148 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.806 -0.410 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.157 0.416 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.671 0.948 -7.122 1.00 0.00 H new ATOM 787 N LYS A 56 3.369 2.407 -8.790 1.00 0.00 N ATOM 788 CA LYS A 56 3.747 2.621 -10.216 1.00 0.00 C ATOM 789 C LYS A 56 5.033 3.442 -10.297 1.00 0.00 C ATOM 790 O LYS A 56 5.901 3.170 -11.102 1.00 0.00 O ATOM 791 CB LYS A 56 2.616 3.366 -10.932 1.00 0.00 C ATOM 792 CG LYS A 56 1.419 2.428 -11.099 1.00 0.00 C ATOM 793 CD LYS A 56 0.287 3.161 -11.822 1.00 0.00 C ATOM 794 CE LYS A 56 -0.860 2.186 -12.104 1.00 0.00 C ATOM 795 NZ LYS A 56 -1.401 1.668 -10.817 1.00 0.00 N ATOM 0 H LYS A 56 2.491 2.843 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 56 3.912 1.656 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.325 4.247 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.956 3.717 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.713 1.544 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.077 2.082 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.070 3.991 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.654 3.586 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.648 2.688 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.506 1.360 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.164 0.660 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.983 2.198 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.434 1.784 -10.803 1.00 0.00 H new ATOM 809 N GLN A 57 5.156 4.448 -9.476 1.00 0.00 N ATOM 810 CA GLN A 57 6.382 5.296 -9.504 1.00 0.00 C ATOM 811 C GLN A 57 7.588 4.453 -9.094 1.00 0.00 C ATOM 812 O GLN A 57 8.642 4.524 -9.692 1.00 0.00 O ATOM 813 CB GLN A 57 6.222 6.460 -8.516 1.00 0.00 C ATOM 814 CG GLN A 57 5.150 7.427 -9.028 1.00 0.00 C ATOM 815 CD GLN A 57 4.934 8.546 -8.008 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.621 8.615 -7.007 1.00 0.00 O ATOM 817 NE2 GLN A 57 4.003 9.435 -8.220 1.00 0.00 N ATOM 0 H GLN A 57 4.458 4.721 -8.784 1.00 0.00 H new ATOM 0 HA GLN A 57 6.530 5.688 -10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.943 6.080 -7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.171 6.983 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.455 7.849 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.216 6.892 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.426 9.379 -9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.852 10.186 -7.547 1.00 0.00 H new ATOM 826 N VAL A 58 7.431 3.657 -8.070 1.00 0.00 N ATOM 827 CA VAL A 58 8.551 2.796 -7.592 1.00 0.00 C ATOM 828 C VAL A 58 8.884 1.757 -8.660 1.00 0.00 C ATOM 829 O VAL A 58 10.035 1.505 -8.955 1.00 0.00 O ATOM 830 CB VAL A 58 8.126 2.086 -6.301 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.192 1.063 -5.899 1.00 0.00 C ATOM 832 CG2 VAL A 58 7.964 3.118 -5.182 1.00 0.00 C ATOM 0 H VAL A 58 6.565 3.566 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 58 9.430 3.411 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 58 7.178 1.574 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.886 0.561 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.308 0.327 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.142 1.572 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.662 2.615 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.912 3.631 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.202 3.845 -5.465 1.00 0.00 H new ATOM 842 N TYR A 59 7.879 1.144 -9.231 1.00 0.00 N ATOM 843 CA TYR A 59 8.117 0.104 -10.280 1.00 0.00 C ATOM 844 C TYR A 59 7.132 0.279 -11.433 1.00 0.00 C ATOM 845 O TYR A 59 6.033 0.772 -11.270 1.00 0.00 O ATOM 846 CB TYR A 59 7.943 -1.284 -9.665 1.00 0.00 C ATOM 847 CG TYR A 59 8.154 -2.331 -10.735 1.00 0.00 C ATOM 848 CD1 TYR A 59 9.430 -2.530 -11.274 1.00 0.00 C ATOM 849 CD2 TYR A 59 7.076 -3.103 -11.189 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.629 -3.500 -12.264 1.00 0.00 C ATOM 851 CE2 TYR A 59 7.275 -4.071 -12.178 1.00 0.00 C ATOM 852 CZ TYR A 59 8.550 -4.270 -12.716 1.00 0.00 C ATOM 853 OH TYR A 59 8.746 -5.225 -13.691 1.00 0.00 O ATOM 0 H TYR A 59 6.898 1.319 -9.015 1.00 0.00 H new ATOM 0 HA TYR A 59 9.131 0.213 -10.665 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.656 -1.427 -8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.946 -1.382 -9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.262 -1.935 -10.926 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.091 -2.950 -10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.614 -3.654 -12.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.443 -4.665 -12.527 1.00 0.00 H new ATOM 0 HH TYR A 59 7.895 -5.670 -13.889 1.00 0.00 H new ATOM 863 N ALA A 60 7.543 -0.122 -12.605 1.00 0.00 N ATOM 864 CA ALA A 60 6.682 0.008 -13.815 1.00 0.00 C ATOM 865 C ALA A 60 5.377 -0.770 -13.636 1.00 0.00 C ATOM 866 O ALA A 60 4.806 -0.811 -12.566 1.00 0.00 O ATOM 867 CB ALA A 60 7.438 -0.539 -15.031 1.00 0.00 C ATOM 0 H ALA A 60 8.456 -0.542 -12.778 1.00 0.00 H new ATOM 0 HA ALA A 60 6.441 1.061 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.813 -0.447 -15.919 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.358 0.029 -15.173 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.681 -1.589 -14.866 1.00 0.00 H new ATOM 873 N ASN A 61 4.898 -1.370 -14.697 1.00 0.00 N ATOM 874 CA ASN A 61 3.615 -2.135 -14.635 1.00 0.00 C ATOM 875 C ASN A 61 3.579 -2.983 -13.373 1.00 0.00 C ATOM 876 O ASN A 61 4.034 -4.108 -13.344 1.00 0.00 O ATOM 877 CB ASN A 61 3.490 -3.025 -15.875 1.00 0.00 C ATOM 878 CG ASN A 61 3.213 -2.151 -17.100 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.758 -1.031 -16.973 1.00 0.00 O ATOM 880 ND2 ASN A 61 3.473 -2.617 -18.292 1.00 0.00 N ATOM 0 H ASN A 61 5.346 -1.362 -15.613 1.00 0.00 H new ATOM 0 HA ASN A 61 2.778 -1.438 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.407 -3.595 -16.021 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.684 -3.746 -15.739 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.294 -2.041 -19.115 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.855 -3.557 -18.400 1.00 0.00 H new ATOM 887 N VAL A 62 3.037 -2.430 -12.326 1.00 0.00 N ATOM 888 CA VAL A 62 2.954 -3.155 -11.028 1.00 0.00 C ATOM 889 C VAL A 62 1.564 -3.751 -10.844 1.00 0.00 C ATOM 890 O VAL A 62 0.556 -3.102 -11.041 1.00 0.00 O ATOM 891 CB VAL A 62 3.259 -2.183 -9.885 1.00 0.00 C ATOM 892 CG1 VAL A 62 2.208 -1.069 -9.842 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.256 -2.947 -8.559 1.00 0.00 C ATOM 0 H VAL A 62 2.641 -1.490 -12.314 1.00 0.00 H new ATOM 0 HA VAL A 62 3.683 -3.965 -11.023 1.00 0.00 H new ATOM 0 HB VAL A 62 4.239 -1.734 -10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.436 -0.385 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.217 -0.523 -10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.222 -1.505 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.473 -2.259 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.277 -3.400 -8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.016 -3.728 -8.587 1.00 0.00 H new ATOM 903 N GLU A 63 1.519 -4.997 -10.462 1.00 0.00 N ATOM 904 CA GLU A 63 0.218 -5.696 -10.252 1.00 0.00 C ATOM 905 C GLU A 63 -0.042 -5.846 -8.757 1.00 0.00 C ATOM 906 O GLU A 63 0.836 -6.180 -7.986 1.00 0.00 O ATOM 907 CB GLU A 63 0.283 -7.084 -10.899 1.00 0.00 C ATOM 908 CG GLU A 63 0.428 -6.936 -12.422 1.00 0.00 C ATOM 909 CD GLU A 63 1.895 -6.687 -12.787 1.00 0.00 C ATOM 910 OE1 GLU A 63 2.699 -6.545 -11.879 1.00 0.00 O ATOM 911 OE2 GLU A 63 2.190 -6.650 -13.968 1.00 0.00 O ATOM 0 H GLU A 63 2.343 -5.571 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.587 -5.117 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.126 -7.645 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.618 -7.649 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.069 -7.837 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.189 -6.110 -12.776 1.00 0.00 H new ATOM 918 N TYR A 64 -1.254 -5.586 -8.351 1.00 0.00 N ATOM 919 CA TYR A 64 -1.613 -5.691 -6.908 1.00 0.00 C ATOM 920 C TYR A 64 -3.079 -6.085 -6.756 1.00 0.00 C ATOM 921 O TYR A 64 -3.876 -5.949 -7.664 1.00 0.00 O ATOM 922 CB TYR A 64 -1.382 -4.340 -6.227 1.00 0.00 C ATOM 923 CG TYR A 64 -2.251 -3.276 -6.866 1.00 0.00 C ATOM 924 CD1 TYR A 64 -1.793 -2.573 -7.988 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.513 -2.988 -6.329 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.598 -1.586 -8.574 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.316 -2.001 -6.915 1.00 0.00 C ATOM 928 CZ TYR A 64 -3.858 -1.300 -8.037 1.00 0.00 C ATOM 929 OH TYR A 64 -4.651 -0.326 -8.614 1.00 0.00 O ATOM 0 H TYR A 64 -2.019 -5.302 -8.963 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.988 -6.454 -6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.611 -4.417 -5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.332 -4.059 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.820 -2.791 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.867 -3.527 -5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.245 -1.046 -9.440 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.289 -1.781 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.494 -0.255 -8.119 1.00 0.00 H new ATOM 939 N GLU A 65 -3.436 -6.565 -5.595 1.00 0.00 N ATOM 940 CA GLU A 65 -4.849 -6.970 -5.333 1.00 0.00 C ATOM 941 C GLU A 65 -5.214 -6.620 -3.896 1.00 0.00 C ATOM 942 O GLU A 65 -4.406 -6.704 -2.993 1.00 0.00 O ATOM 943 CB GLU A 65 -5.014 -8.476 -5.547 1.00 0.00 C ATOM 944 CG GLU A 65 -6.498 -8.845 -5.440 1.00 0.00 C ATOM 945 CD GLU A 65 -7.259 -8.275 -6.641 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.611 -7.780 -7.550 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.476 -8.347 -6.632 1.00 0.00 O ATOM 0 H GLU A 65 -2.801 -6.696 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.506 -6.440 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.627 -8.760 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.437 -9.026 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.612 -9.929 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.915 -8.451 -4.513 1.00 0.00 H new ATOM 954 N VAL A 66 -6.443 -6.230 -3.691 1.00 0.00 N ATOM 955 CA VAL A 66 -6.922 -5.856 -2.327 1.00 0.00 C ATOM 956 C VAL A 66 -8.100 -6.742 -1.929 1.00 0.00 C ATOM 957 O VAL A 66 -9.054 -6.910 -2.664 1.00 0.00 O ATOM 958 CB VAL A 66 -7.352 -4.387 -2.329 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.551 -4.180 -3.265 1.00 0.00 C ATOM 960 CG2 VAL A 66 -7.733 -3.971 -0.908 1.00 0.00 C ATOM 0 H VAL A 66 -7.148 -6.153 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.116 -5.998 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.523 -3.775 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.844 -3.130 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.275 -4.470 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.386 -4.793 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.040 -2.925 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.557 -4.592 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.874 -4.099 -0.249 1.00 0.00 H new ATOM 970 N ALA A 67 -8.026 -7.312 -0.759 1.00 0.00 N ATOM 971 CA ALA A 67 -9.116 -8.203 -0.271 1.00 0.00 C ATOM 972 C ALA A 67 -10.291 -7.349 0.218 1.00 0.00 C ATOM 973 O ALA A 67 -10.135 -6.183 0.522 1.00 0.00 O ATOM 974 CB ALA A 67 -8.580 -9.074 0.889 1.00 0.00 C ATOM 0 H ALA A 67 -7.246 -7.197 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.456 -8.849 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.374 -9.728 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.745 -9.678 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.243 -8.430 1.701 1.00 0.00 H new ATOM 980 N PRO A 68 -11.459 -7.934 0.296 1.00 0.00 N ATOM 981 CA PRO A 68 -12.683 -7.224 0.768 1.00 0.00 C ATOM 982 C PRO A 68 -12.537 -6.686 2.190 1.00 0.00 C ATOM 983 O PRO A 68 -11.973 -7.326 3.055 1.00 0.00 O ATOM 984 CB PRO A 68 -13.797 -8.289 0.683 1.00 0.00 C ATOM 985 CG PRO A 68 -13.085 -9.608 0.622 1.00 0.00 C ATOM 986 CD PRO A 68 -11.738 -9.339 -0.043 1.00 0.00 C ATOM 0 HA PRO A 68 -12.894 -6.343 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.456 -8.238 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.419 -8.137 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.949 -10.023 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.662 -10.335 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.963 -10.005 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.786 -9.489 -1.122 1.00 0.00 H new ATOM 994 N VAL A 69 -13.047 -5.506 2.425 1.00 0.00 N ATOM 995 CA VAL A 69 -12.954 -4.884 3.781 1.00 0.00 C ATOM 996 C VAL A 69 -14.312 -4.308 4.189 1.00 0.00 C ATOM 997 O VAL A 69 -14.995 -3.667 3.415 1.00 0.00 O ATOM 998 CB VAL A 69 -11.907 -3.772 3.753 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.764 -3.174 5.151 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.564 -4.353 3.305 1.00 0.00 C ATOM 0 H VAL A 69 -13.530 -4.939 1.728 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.663 -5.643 4.507 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.218 -2.994 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.017 -2.380 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.722 -2.764 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.451 -3.951 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.814 -3.562 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.252 -5.130 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.667 -4.782 2.308 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.693 -4.541 5.415 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.998 -4.032 5.929 1.00 0.00 C ATOM 1012 C ALA A 70 -15.906 -2.537 6.237 1.00 0.00 C ATOM 1013 O ALA A 70 -14.839 -1.962 6.311 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.376 -4.793 7.204 1.00 0.00 C ATOM 0 H ALA A 70 -14.147 -5.071 6.094 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.760 -4.187 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.329 -4.422 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.463 -5.856 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.605 -4.643 7.959 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.039 -1.918 6.410 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.088 -0.460 6.707 1.00 0.00 C ATOM 1022 C ASP A 71 -16.405 -0.178 8.042 1.00 0.00 C ATOM 1023 O ASP A 71 -15.644 0.762 8.175 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.557 -0.022 6.795 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.641 1.472 7.121 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.606 2.062 7.384 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.742 1.999 7.106 1.00 0.00 O ATOM 0 H ASP A 71 -17.952 -2.370 6.357 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.575 0.089 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.063 -0.225 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.072 -0.599 7.563 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.687 -0.980 9.031 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.084 -0.776 10.383 1.00 0.00 C ATOM 1034 C ASN A 72 -14.906 -1.734 10.562 1.00 0.00 C ATOM 1035 O ASN A 72 -14.543 -2.088 11.666 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.151 -1.052 11.448 1.00 0.00 C ATOM 1037 CG ASN A 72 -18.203 0.060 11.413 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -17.959 1.128 10.886 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -19.373 -0.146 11.952 1.00 0.00 N ATOM 0 H ASN A 72 -17.317 -1.779 8.961 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.726 0.249 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.621 -2.018 11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.691 -1.102 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.081 0.588 11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.580 -1.041 12.395 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.311 -2.154 9.479 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.150 -3.088 9.561 1.00 0.00 C ATOM 1048 C ALA A 73 -11.988 -2.386 10.262 1.00 0.00 C ATOM 1049 O ALA A 73 -11.127 -3.022 10.836 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.724 -3.490 8.142 1.00 0.00 C ATOM 0 H ALA A 73 -14.581 -1.888 8.532 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.431 -3.978 10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.876 -4.173 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.555 -3.984 7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.438 -2.600 7.582 1.00 0.00 H new ATOM 1056 N THR A 74 -11.953 -1.078 10.187 1.00 0.00 N ATOM 1057 CA THR A 74 -10.851 -0.300 10.826 1.00 0.00 C ATOM 1058 C THR A 74 -9.504 -0.835 10.351 1.00 0.00 C ATOM 1059 O THR A 74 -8.460 -0.394 10.790 1.00 0.00 O ATOM 1060 CB THR A 74 -10.953 -0.416 12.349 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.782 -1.770 12.738 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.325 0.080 12.809 1.00 0.00 C ATOM 0 H THR A 74 -12.650 -0.512 9.704 1.00 0.00 H new ATOM 0 HA THR A 74 -10.938 0.749 10.543 1.00 0.00 H new ATOM 0 HB THR A 74 -10.174 0.192 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.461 -2.292 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.397 -0.003 13.893 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.452 1.122 12.515 1.00 0.00 H new ATOM 0 HG23 THR A 74 -13.105 -0.525 12.346 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.521 -1.778 9.447 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.249 -2.355 8.925 1.00 0.00 C ATOM 1072 C GLU A 75 -8.396 -2.698 7.447 1.00 0.00 C ATOM 1073 O GLU A 75 -9.481 -2.900 6.938 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.896 -3.621 9.707 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.489 -3.236 11.132 1.00 0.00 C ATOM 1076 CD GLU A 75 -7.115 -4.491 11.923 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -7.179 -5.568 11.355 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -6.769 -4.350 13.085 1.00 0.00 O ATOM 0 H GLU A 75 -10.370 -2.176 9.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.454 -1.619 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.750 -4.298 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.081 -4.152 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.645 -2.547 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.309 -2.715 11.626 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.291 -2.760 6.758 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.308 -3.084 5.307 1.00 0.00 C ATOM 1087 C LEU A 76 -6.128 -3.985 4.964 1.00 0.00 C ATOM 1088 O LEU A 76 -5.032 -3.819 5.465 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.223 -1.792 4.495 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.064 -2.128 2.990 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -7.945 -1.198 2.154 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -5.597 -1.950 2.570 1.00 0.00 C ATOM 0 H LEU A 76 -6.362 -2.597 7.147 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.235 -3.604 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.121 -1.194 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.378 -1.193 4.835 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.368 -3.162 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.829 -1.439 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.988 -1.328 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.647 -0.164 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.490 -2.187 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.292 -0.918 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.967 -2.618 3.157 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.357 -4.937 4.100 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.279 -5.884 3.685 1.00 0.00 C ATOM 1106 C HIS A 77 -5.060 -5.788 2.179 1.00 0.00 C ATOM 1107 O HIS A 77 -5.981 -5.879 1.387 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.691 -7.309 4.058 1.00 0.00 C ATOM 1109 CG HIS A 77 -4.548 -8.244 3.779 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.307 -8.757 2.515 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.569 -8.763 4.589 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -3.221 -9.547 2.599 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -2.732 -9.586 3.841 1.00 0.00 N ATOM 0 H HIS A 77 -7.261 -5.102 3.656 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.351 -5.627 4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.966 -7.357 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.569 -7.608 3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.464 -8.563 5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.797 -10.084 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.920 -10.107 4.171 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.832 -5.604 1.785 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.503 -5.497 0.336 1.00 0.00 C ATOM 1123 C ALA A 78 -2.090 -6.016 0.090 1.00 0.00 C ATOM 1124 O ALA A 78 -1.249 -6.021 0.969 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.594 -4.037 -0.107 1.00 0.00 C ATOM 0 H ALA A 78 -3.032 -5.522 2.413 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.213 -6.094 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.353 -3.963 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.606 -3.668 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.889 -3.438 0.468 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.832 -6.454 -1.111 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.482 -6.990 -1.463 1.00 0.00 C ATOM 1133 C ARG A 79 -0.035 -6.425 -2.807 1.00 0.00 C ATOM 1134 O ARG A 79 -0.835 -6.060 -3.647 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.537 -8.519 -1.531 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.548 -8.977 -2.589 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.577 -10.511 -2.628 1.00 0.00 C ATOM 1138 NE ARG A 79 -2.550 -10.969 -3.665 1.00 0.00 N ATOM 1139 CZ ARG A 79 -3.815 -11.131 -3.367 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -4.247 -10.896 -2.155 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -4.647 -11.537 -4.285 1.00 0.00 N ATOM 0 H ARG A 79 -2.507 -6.464 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 79 0.234 -6.691 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.451 -8.913 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.814 -8.922 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.539 -8.588 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.274 -8.581 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.583 -10.898 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.859 -10.904 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.226 -11.157 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.597 -10.584 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.234 -11.025 -1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.312 -11.727 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.633 -11.665 -4.059 1.00 0.00 H new ATOM 1155 N PHE A 80 1.255 -6.340 -2.999 1.00 0.00 N ATOM 1156 CA PHE A 80 1.814 -5.787 -4.271 1.00 0.00 C ATOM 1157 C PHE A 80 2.920 -6.695 -4.798 1.00 0.00 C ATOM 1158 O PHE A 80 3.577 -7.397 -4.056 1.00 0.00 O ATOM 1159 CB PHE A 80 2.390 -4.395 -4.002 1.00 0.00 C ATOM 1160 CG PHE A 80 1.267 -3.441 -3.675 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.640 -3.501 -2.425 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.853 -2.494 -4.621 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.400 -2.615 -2.119 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.185 -1.609 -4.316 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.814 -1.669 -3.065 1.00 0.00 C ATOM 0 H PHE A 80 1.956 -6.634 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 80 1.019 -5.726 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.099 -4.437 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.939 -4.042 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.959 -4.231 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.336 -2.448 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.883 -2.661 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.503 -0.878 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.617 -0.986 -2.831 1.00 0.00 H new ATOM 1175 N LYS A 81 3.123 -6.671 -6.086 1.00 0.00 N ATOM 1176 CA LYS A 81 4.181 -7.518 -6.719 1.00 0.00 C ATOM 1177 C LYS A 81 5.342 -6.633 -7.157 1.00 0.00 C ATOM 1178 O LYS A 81 5.172 -5.672 -7.879 1.00 0.00 O ATOM 1179 CB LYS A 81 3.598 -8.239 -7.936 1.00 0.00 C ATOM 1180 CG LYS A 81 4.660 -9.168 -8.531 1.00 0.00 C ATOM 1181 CD LYS A 81 4.059 -9.957 -9.697 1.00 0.00 C ATOM 1182 CE LYS A 81 5.111 -10.908 -10.277 1.00 0.00 C ATOM 1183 NZ LYS A 81 6.277 -10.122 -10.773 1.00 0.00 N ATOM 0 H LYS A 81 2.594 -6.093 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 81 4.537 -8.255 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.718 -8.813 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.274 -7.513 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.515 -8.586 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.028 -9.853 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.192 -10.523 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.709 -9.272 -10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.435 -11.616 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.680 -11.491 -11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.819 -10.695 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.939 -9.258 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.888 -9.864 -9.972 1.00 0.00 H new ATOM 1197 N PHE A 82 6.525 -6.965 -6.712 1.00 0.00 N ATOM 1198 CA PHE A 82 7.740 -6.171 -7.072 1.00 0.00 C ATOM 1199 C PHE A 82 8.777 -7.077 -7.735 1.00 0.00 C ATOM 1200 O PHE A 82 8.897 -8.246 -7.420 1.00 0.00 O ATOM 1201 CB PHE A 82 8.328 -5.547 -5.808 1.00 0.00 C ATOM 1202 CG PHE A 82 7.405 -4.451 -5.318 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.270 -3.272 -6.060 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.685 -4.615 -4.128 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.415 -2.256 -5.612 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.832 -3.600 -3.680 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.697 -2.421 -4.422 1.00 0.00 C ATOM 0 H PHE A 82 6.705 -7.765 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 82 7.463 -5.382 -7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.451 -6.307 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.318 -5.140 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.825 -3.145 -6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.788 -5.525 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.310 -1.346 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.278 -3.726 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.038 -1.638 -4.076 1.00 0.00 H new ATOM 1217 N GLU A 83 9.519 -6.534 -8.661 1.00 0.00 N ATOM 1218 CA GLU A 83 10.556 -7.328 -9.380 1.00 0.00 C ATOM 1219 C GLU A 83 11.689 -7.667 -8.414 1.00 0.00 C ATOM 1220 O GLU A 83 12.246 -8.746 -8.458 1.00 0.00 O ATOM 1221 CB GLU A 83 11.115 -6.507 -10.549 1.00 0.00 C ATOM 1222 CG GLU A 83 12.102 -7.367 -11.344 1.00 0.00 C ATOM 1223 CD GLU A 83 12.623 -6.583 -12.550 1.00 0.00 C ATOM 1224 OE1 GLU A 83 12.032 -5.566 -12.874 1.00 0.00 O ATOM 1225 OE2 GLU A 83 13.605 -7.015 -13.131 1.00 0.00 O ATOM 0 H GLU A 83 9.450 -5.559 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 83 10.110 -8.246 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.303 -6.173 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.613 -5.613 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.934 -7.665 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.613 -8.282 -11.678 1.00 0.00 H new ATOM 1232 N VAL A 84 12.033 -6.751 -7.544 1.00 0.00 N ATOM 1233 CA VAL A 84 13.136 -7.007 -6.564 1.00 0.00 C ATOM 1234 C VAL A 84 12.722 -6.525 -5.174 1.00 0.00 C ATOM 1235 O VAL A 84 11.835 -5.709 -5.015 1.00 0.00 O ATOM 1236 CB VAL A 84 14.403 -6.270 -7.003 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.855 -6.799 -8.364 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.127 -4.766 -7.109 1.00 0.00 C ATOM 0 H VAL A 84 11.596 -5.832 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 84 13.335 -8.078 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 84 15.186 -6.439 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.758 -6.274 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.064 -7.866 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.067 -6.634 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.035 -4.251 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.340 -4.591 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.810 -4.385 -6.138 1.00 0.00 H new ATOM 1248 N SER A 85 13.369 -7.043 -4.169 1.00 0.00 N ATOM 1249 CA SER A 85 13.057 -6.660 -2.763 1.00 0.00 C ATOM 1250 C SER A 85 13.358 -5.180 -2.544 1.00 0.00 C ATOM 1251 O SER A 85 12.608 -4.474 -1.900 1.00 0.00 O ATOM 1252 CB SER A 85 13.921 -7.496 -1.813 1.00 0.00 C ATOM 1253 OG SER A 85 13.892 -6.913 -0.516 1.00 0.00 O ATOM 0 H SER A 85 14.117 -7.730 -4.264 1.00 0.00 H new ATOM 0 HA SER A 85 12.000 -6.842 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.550 -8.520 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.946 -7.542 -2.181 1.00 0.00 H new ATOM 0 HG SER A 85 14.443 -7.446 0.095 1.00 0.00 H new ATOM 1259 N ALA A 86 14.465 -4.717 -3.062 1.00 0.00 N ATOM 1260 CA ALA A 86 14.859 -3.287 -2.883 1.00 0.00 C ATOM 1261 C ALA A 86 13.636 -2.383 -3.035 1.00 0.00 C ATOM 1262 O ALA A 86 13.461 -1.430 -2.302 1.00 0.00 O ATOM 1263 CB ALA A 86 15.898 -2.912 -3.946 1.00 0.00 C ATOM 0 H ALA A 86 15.121 -5.275 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 86 15.281 -3.155 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.188 -1.869 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.776 -3.549 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.470 -3.051 -4.939 1.00 0.00 H new ATOM 1269 N GLU A 87 12.794 -2.680 -3.984 1.00 0.00 N ATOM 1270 CA GLU A 87 11.576 -1.850 -4.206 1.00 0.00 C ATOM 1271 C GLU A 87 10.623 -2.008 -3.020 1.00 0.00 C ATOM 1272 O GLU A 87 9.917 -1.089 -2.655 1.00 0.00 O ATOM 1273 CB GLU A 87 10.876 -2.314 -5.490 1.00 0.00 C ATOM 1274 CG GLU A 87 11.748 -1.967 -6.699 1.00 0.00 C ATOM 1275 CD GLU A 87 11.101 -2.502 -7.978 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.016 -3.053 -7.885 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.702 -2.354 -9.029 1.00 0.00 O ATOM 0 H GLU A 87 12.898 -3.469 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 87 11.861 -0.802 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.699 -3.389 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.902 -1.833 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.874 -0.887 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.742 -2.397 -6.577 1.00 0.00 H new ATOM 1284 N LYS A 88 10.597 -3.170 -2.425 1.00 0.00 N ATOM 1285 CA LYS A 88 9.689 -3.410 -1.265 1.00 0.00 C ATOM 1286 C LYS A 88 10.067 -2.479 -0.115 1.00 0.00 C ATOM 1287 O LYS A 88 9.219 -1.875 0.511 1.00 0.00 O ATOM 1288 CB LYS A 88 9.835 -4.865 -0.796 1.00 0.00 C ATOM 1289 CG LYS A 88 8.824 -5.147 0.321 1.00 0.00 C ATOM 1290 CD LYS A 88 8.927 -6.612 0.754 1.00 0.00 C ATOM 1291 CE LYS A 88 7.899 -6.898 1.853 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.178 -6.031 3.033 1.00 0.00 N ATOM 0 H LYS A 88 11.170 -3.970 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 88 8.660 -3.218 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.669 -5.546 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.849 -5.042 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.015 -4.492 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.814 -4.931 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.753 -7.267 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.932 -6.824 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.892 -6.711 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.942 -7.948 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.713 -6.429 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.204 -5.984 3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.812 -5.074 2.855 1.00 0.00 H new ATOM 1306 N LEU A 89 11.334 -2.372 0.175 1.00 0.00 N ATOM 1307 CA LEU A 89 11.782 -1.492 1.293 1.00 0.00 C ATOM 1308 C LEU A 89 11.450 -0.038 0.971 1.00 0.00 C ATOM 1309 O LEU A 89 11.018 0.712 1.824 1.00 0.00 O ATOM 1310 CB LEU A 89 13.304 -1.641 1.484 1.00 0.00 C ATOM 1311 CG LEU A 89 13.612 -2.917 2.284 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.161 -2.749 3.749 1.00 0.00 C ATOM 1313 CD2 LEU A 89 12.882 -4.113 1.655 1.00 0.00 C ATOM 0 H LEU A 89 12.083 -2.859 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 89 11.268 -1.784 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.798 -1.683 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.700 -0.770 2.006 1.00 0.00 H new ATOM 0 HG LEU A 89 14.687 -3.095 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.385 -3.659 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.691 -1.910 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.088 -2.559 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.103 -5.015 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.807 -3.931 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.217 -4.243 0.626 1.00 0.00 H new ATOM 1325 N ILE A 90 11.672 0.363 -0.249 1.00 0.00 N ATOM 1326 CA ILE A 90 11.390 1.772 -0.652 1.00 0.00 C ATOM 1327 C ILE A 90 9.885 2.043 -0.584 1.00 0.00 C ATOM 1328 O ILE A 90 9.450 3.075 -0.115 1.00 0.00 O ATOM 1329 CB ILE A 90 11.890 1.997 -2.087 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.421 1.927 -2.113 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.433 3.374 -2.578 1.00 0.00 C ATOM 1332 CD1 ILE A 90 13.915 1.894 -3.564 1.00 0.00 C ATOM 0 H ILE A 90 12.040 -0.230 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 90 11.904 2.452 0.027 1.00 0.00 H new ATOM 0 HB ILE A 90 11.481 1.225 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.842 2.789 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 90 13.763 1.038 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 90 11.788 3.533 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.344 3.423 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.841 4.147 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.004 1.844 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.506 1.018 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 90 13.587 2.796 -4.081 1.00 0.00 H new ATOM 1344 N PHE A 91 9.096 1.128 -1.077 1.00 0.00 N ATOM 1345 CA PHE A 91 7.614 1.310 -1.073 1.00 0.00 C ATOM 1346 C PHE A 91 7.105 1.418 0.363 1.00 0.00 C ATOM 1347 O PHE A 91 6.293 2.261 0.684 1.00 0.00 O ATOM 1348 CB PHE A 91 6.960 0.102 -1.757 1.00 0.00 C ATOM 1349 CG PHE A 91 5.465 0.305 -1.835 1.00 0.00 C ATOM 1350 CD1 PHE A 91 4.908 1.010 -2.909 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.634 -0.212 -0.833 1.00 0.00 C ATOM 1352 CE1 PHE A 91 3.522 1.198 -2.981 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.249 -0.024 -0.904 1.00 0.00 C ATOM 1354 CZ PHE A 91 2.693 0.681 -1.978 1.00 0.00 C ATOM 0 H PHE A 91 9.418 0.251 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 91 7.360 2.224 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.371 -0.027 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.184 -0.808 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.548 1.409 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.063 -0.756 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.093 1.741 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.609 -0.423 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.624 0.826 -2.033 1.00 0.00 H new ATOM 1364 N GLU A 92 7.566 0.553 1.222 1.00 0.00 N ATOM 1365 CA GLU A 92 7.109 0.567 2.641 1.00 0.00 C ATOM 1366 C GLU A 92 7.548 1.861 3.323 1.00 0.00 C ATOM 1367 O GLU A 92 6.835 2.410 4.140 1.00 0.00 O ATOM 1368 CB GLU A 92 7.725 -0.647 3.379 1.00 0.00 C ATOM 1369 CG GLU A 92 6.712 -1.798 3.443 1.00 0.00 C ATOM 1370 CD GLU A 92 6.409 -2.316 2.034 1.00 0.00 C ATOM 1371 OE1 GLU A 92 6.905 -1.734 1.085 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.685 -3.290 1.929 1.00 0.00 O ATOM 0 H GLU A 92 8.248 -0.172 0.999 1.00 0.00 H new ATOM 0 HA GLU A 92 6.021 0.508 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.628 -0.975 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.021 -0.357 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.108 -2.606 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.792 -1.457 3.918 1.00 0.00 H new ATOM 1379 N LEU A 93 8.719 2.334 3.018 1.00 0.00 N ATOM 1380 CA LEU A 93 9.211 3.575 3.668 1.00 0.00 C ATOM 1381 C LEU A 93 8.292 4.745 3.321 1.00 0.00 C ATOM 1382 O LEU A 93 7.931 5.535 4.170 1.00 0.00 O ATOM 1383 CB LEU A 93 10.626 3.881 3.164 1.00 0.00 C ATOM 1384 CG LEU A 93 11.115 5.226 3.765 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.579 5.101 4.198 1.00 0.00 C ATOM 1386 CD2 LEU A 93 10.991 6.346 2.717 1.00 0.00 C ATOM 0 H LEU A 93 9.359 1.914 2.344 1.00 0.00 H new ATOM 0 HA LEU A 93 9.222 3.434 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.305 3.077 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.631 3.935 2.075 1.00 0.00 H new ATOM 0 HG LEU A 93 10.498 5.469 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.916 6.048 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.670 4.317 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.194 4.849 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.336 7.286 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.600 6.099 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.949 6.447 2.414 1.00 0.00 H new ATOM 1398 N LYS A 94 7.929 4.862 2.074 1.00 0.00 N ATOM 1399 CA LYS A 94 7.041 5.982 1.643 1.00 0.00 C ATOM 1400 C LYS A 94 5.658 5.827 2.275 1.00 0.00 C ATOM 1401 O LYS A 94 5.066 6.785 2.733 1.00 0.00 O ATOM 1402 CB LYS A 94 6.903 5.963 0.114 1.00 0.00 C ATOM 1403 CG LYS A 94 8.242 6.335 -0.532 1.00 0.00 C ATOM 1404 CD LYS A 94 8.103 6.319 -2.060 1.00 0.00 C ATOM 1405 CE LYS A 94 9.439 6.703 -2.708 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.311 6.645 -4.194 1.00 0.00 N ATOM 0 H LYS A 94 8.211 4.226 1.328 1.00 0.00 H new ATOM 0 HA LYS A 94 7.478 6.927 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.590 4.974 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.130 6.665 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.556 7.323 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.015 5.632 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.797 5.328 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.324 7.016 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.730 7.706 -2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.225 6.025 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.250 6.755 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.906 5.728 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.687 7.411 -4.519 1.00 0.00 H new ATOM 1420 N THR A 95 5.134 4.629 2.287 1.00 0.00 N ATOM 1421 CA THR A 95 3.779 4.400 2.871 1.00 0.00 C ATOM 1422 C THR A 95 3.828 4.617 4.379 1.00 0.00 C ATOM 1423 O THR A 95 2.908 5.149 4.970 1.00 0.00 O ATOM 1424 CB THR A 95 3.335 2.960 2.588 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.376 2.063 2.938 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.000 2.804 1.105 1.00 0.00 C ATOM 0 H THR A 95 5.589 3.795 1.915 1.00 0.00 H new ATOM 0 HA THR A 95 3.073 5.099 2.422 1.00 0.00 H new ATOM 0 HB THR A 95 2.449 2.735 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.130 2.566 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.685 1.779 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.194 3.488 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.882 3.033 0.507 1.00 0.00 H new ATOM 1434 N ARG A 96 4.893 4.206 5.004 1.00 0.00 N ATOM 1435 CA ARG A 96 5.014 4.380 6.476 1.00 0.00 C ATOM 1436 C ARG A 96 5.052 5.862 6.814 1.00 0.00 C ATOM 1437 O ARG A 96 4.454 6.302 7.775 1.00 0.00 O ATOM 1438 CB ARG A 96 6.306 3.708 6.962 1.00 0.00 C ATOM 1439 CG ARG A 96 6.146 2.179 6.919 1.00 0.00 C ATOM 1440 CD ARG A 96 5.456 1.699 8.203 1.00 0.00 C ATOM 1441 NE ARG A 96 5.395 0.210 8.209 1.00 0.00 N ATOM 1442 CZ ARG A 96 4.364 -0.418 7.706 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.371 0.247 7.170 1.00 0.00 N ATOM 1444 NH2 ARG A 96 4.327 -1.720 7.742 1.00 0.00 N ATOM 0 H ARG A 96 5.690 3.754 4.556 1.00 0.00 H new ATOM 0 HA ARG A 96 4.157 3.921 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.144 4.013 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.535 4.030 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.559 1.889 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.122 1.704 6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.002 2.054 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.450 2.115 8.265 1.00 0.00 H new ATOM 0 HE ARG A 96 6.165 -0.325 8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.396 1.266 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.572 -0.254 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.098 -2.241 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.527 -2.218 7.352 1.00 0.00 H new ATOM 1458 N ALA A 97 5.755 6.630 6.032 1.00 0.00 N ATOM 1459 CA ALA A 97 5.844 8.092 6.296 1.00 0.00 C ATOM 1460 C ALA A 97 4.454 8.707 6.159 1.00 0.00 C ATOM 1461 O ALA A 97 4.011 9.460 7.002 1.00 0.00 O ATOM 1462 CB ALA A 97 6.781 8.738 5.269 1.00 0.00 C ATOM 0 H ALA A 97 6.275 6.306 5.216 1.00 0.00 H new ATOM 0 HA ALA A 97 6.230 8.261 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.848 9.809 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.772 8.292 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.390 8.573 4.265 1.00 0.00 H new ATOM 1468 N LEU A 98 3.770 8.384 5.097 1.00 0.00 N ATOM 1469 CA LEU A 98 2.404 8.934 4.881 1.00 0.00 C ATOM 1470 C LEU A 98 1.480 8.400 5.970 1.00 0.00 C ATOM 1471 O LEU A 98 0.662 9.115 6.513 1.00 0.00 O ATOM 1472 CB LEU A 98 1.888 8.477 3.508 1.00 0.00 C ATOM 1473 CG LEU A 98 2.708 9.145 2.392 1.00 0.00 C ATOM 1474 CD1 LEU A 98 2.375 8.487 1.049 1.00 0.00 C ATOM 1475 CD2 LEU A 98 2.381 10.649 2.321 1.00 0.00 C ATOM 0 H LEU A 98 4.102 7.757 4.364 1.00 0.00 H new ATOM 0 HA LEU A 98 2.430 10.023 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.960 7.393 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.834 8.735 3.401 1.00 0.00 H new ATOM 0 HG LEU A 98 3.769 9.021 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.956 8.961 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.619 7.426 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.312 8.606 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.967 11.112 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.319 10.781 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.625 11.120 3.274 1.00 0.00 H new ATOM 1487 N ALA A 99 1.609 7.140 6.282 1.00 0.00 N ATOM 1488 CA ALA A 99 0.749 6.522 7.328 1.00 0.00 C ATOM 1489 C ALA A 99 1.055 7.159 8.682 1.00 0.00 C ATOM 1490 O ALA A 99 0.172 7.385 9.484 1.00 0.00 O ATOM 1491 CB ALA A 99 1.040 5.017 7.396 1.00 0.00 C ATOM 0 H ALA A 99 2.282 6.506 5.851 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.300 6.683 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.413 4.559 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.825 4.561 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.089 4.860 7.646 1.00 0.00 H new ATOM 1497 N ARG A 100 2.302 7.447 8.941 1.00 0.00 N ATOM 1498 CA ARG A 100 2.685 8.072 10.242 1.00 0.00 C ATOM 1499 C ARG A 100 2.579 9.587 10.115 1.00 0.00 C ATOM 1500 O ARG A 100 2.727 10.309 11.078 1.00 0.00 O ATOM 1501 CB ARG A 100 4.127 7.674 10.588 1.00 0.00 C ATOM 1502 CG ARG A 100 4.232 6.145 10.709 1.00 0.00 C ATOM 1503 CD ARG A 100 3.704 5.696 12.077 1.00 0.00 C ATOM 1504 NE ARG A 100 3.923 4.230 12.238 1.00 0.00 N ATOM 1505 CZ ARG A 100 3.008 3.373 11.860 1.00 0.00 C ATOM 1506 NH1 ARG A 100 1.892 3.785 11.315 1.00 0.00 N ATOM 1507 NH2 ARG A 100 3.215 2.097 12.028 1.00 0.00 N ATOM 0 H ARG A 100 3.079 7.275 8.302 1.00 0.00 H new ATOM 0 HA ARG A 100 2.019 7.729 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.808 8.034 9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.429 8.143 11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.660 5.668 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.269 5.832 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.214 6.240 12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.642 5.927 12.163 1.00 0.00 H new ATOM 0 HE ARG A 100 4.794 3.891 12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.728 4.783 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.186 3.108 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.085 1.773 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.507 1.423 11.736 1.00 0.00 H new ATOM 1521 N LEU A 101 2.317 10.056 8.927 1.00 0.00 N ATOM 1522 CA LEU A 101 2.181 11.521 8.684 1.00 0.00 C ATOM 1523 C LEU A 101 3.456 12.250 9.086 1.00 0.00 C ATOM 1524 O LEU A 101 3.948 12.122 10.189 1.00 0.00 O ATOM 1525 CB LEU A 101 0.987 12.070 9.472 1.00 0.00 C ATOM 1526 CG LEU A 101 -0.308 11.405 8.979 1.00 0.00 C ATOM 1527 CD1 LEU A 101 -1.450 11.744 9.942 1.00 0.00 C ATOM 1528 CD2 LEU A 101 -0.660 11.911 7.567 1.00 0.00 C ATOM 0 H LEU A 101 2.189 9.475 8.098 1.00 0.00 H new ATOM 0 HA LEU A 101 2.012 11.685 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.123 11.879 10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.923 13.151 9.347 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.164 10.325 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.370 11.274 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.207 11.375 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.586 12.825 9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.579 11.433 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.801 12.992 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.151 11.667 6.880 1.00 0.00 H new ATOM 1540 N GLU A 102 3.995 13.011 8.176 1.00 0.00 N ATOM 1541 CA GLU A 102 5.251 13.758 8.450 1.00 0.00 C ATOM 1542 C GLU A 102 5.002 14.818 9.515 1.00 0.00 C ATOM 1543 O GLU A 102 4.025 15.538 9.485 1.00 0.00 O ATOM 1544 CB GLU A 102 5.738 14.429 7.160 1.00 0.00 C ATOM 1545 CG GLU A 102 7.127 15.034 7.388 1.00 0.00 C ATOM 1546 CD GLU A 102 8.158 13.914 7.558 1.00 0.00 C ATOM 1547 OE1 GLU A 102 7.802 12.765 7.350 1.00 0.00 O ATOM 1548 OE2 GLU A 102 9.288 14.225 7.895 1.00 0.00 O ATOM 0 H GLU A 102 3.612 13.148 7.241 1.00 0.00 H new ATOM 0 HA GLU A 102 6.011 13.064 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.776 13.700 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.037 15.206 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.401 15.668 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.116 15.669 8.274 1.00 0.00 H new ATOM 1555 N HIS A 103 5.902 14.917 10.454 1.00 0.00 N ATOM 1556 CA HIS A 103 5.763 15.925 11.543 1.00 0.00 C ATOM 1557 C HIS A 103 7.142 16.447 11.949 1.00 0.00 C ATOM 1558 O HIS A 103 8.076 15.694 12.155 1.00 0.00 O ATOM 1559 CB HIS A 103 5.081 15.277 12.749 1.00 0.00 C ATOM 1560 CG HIS A 103 4.682 16.344 13.729 1.00 0.00 C ATOM 1561 ND1 HIS A 103 5.563 16.849 14.674 1.00 0.00 N ATOM 1562 CD2 HIS A 103 3.500 17.013 13.924 1.00 0.00 C ATOM 1563 CE1 HIS A 103 4.903 17.780 15.386 1.00 0.00 C ATOM 1564 NE2 HIS A 103 3.642 17.920 14.970 1.00 0.00 N ATOM 0 H HIS A 103 6.738 14.335 10.514 1.00 0.00 H new ATOM 0 HA HIS A 103 5.159 16.760 11.187 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.203 14.717 12.427 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.756 14.566 13.224 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.597 16.859 13.353 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.340 18.346 16.196 1.00 0.00 H new ATOM 0 HE2 HIS A 103 2.935 18.555 15.339 1.00 0.00 H new ATOM 1572 N HIS A 104 7.264 17.740 12.070 1.00 0.00 N ATOM 1573 CA HIS A 104 8.560 18.356 12.473 1.00 0.00 C ATOM 1574 C HIS A 104 8.360 19.863 12.692 1.00 0.00 C ATOM 1575 O HIS A 104 8.646 20.673 11.832 1.00 0.00 O ATOM 1576 CB HIS A 104 9.607 18.113 11.383 1.00 0.00 C ATOM 1577 CG HIS A 104 9.097 18.613 10.060 1.00 0.00 C ATOM 1578 ND1 HIS A 104 7.798 19.062 9.889 1.00 0.00 N ATOM 1579 CD2 HIS A 104 9.702 18.735 8.833 1.00 0.00 C ATOM 1580 CE1 HIS A 104 7.663 19.430 8.601 1.00 0.00 C ATOM 1581 NE2 HIS A 104 8.794 19.251 7.913 1.00 0.00 N ATOM 0 H HIS A 104 6.509 18.406 11.904 1.00 0.00 H new ATOM 0 HA HIS A 104 8.909 17.904 13.401 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.536 18.622 11.640 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.834 17.049 11.316 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.726 18.471 8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.751 19.822 8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.957 19.450 6.926 1.00 0.00 H new ATOM 1589 N HIS A 105 7.871 20.226 13.853 1.00 0.00 N ATOM 1590 CA HIS A 105 7.630 21.666 14.195 1.00 0.00 C ATOM 1591 C HIS A 105 7.115 22.429 12.979 1.00 0.00 C ATOM 1592 O HIS A 105 7.869 22.976 12.202 1.00 0.00 O ATOM 1593 CB HIS A 105 8.924 22.296 14.709 1.00 0.00 C ATOM 1594 CG HIS A 105 9.323 21.620 15.993 1.00 0.00 C ATOM 1595 ND1 HIS A 105 8.660 21.853 17.189 1.00 0.00 N ATOM 1596 CD2 HIS A 105 10.310 20.711 16.283 1.00 0.00 C ATOM 1597 CE1 HIS A 105 9.252 21.099 18.134 1.00 0.00 C ATOM 1598 NE2 HIS A 105 10.263 20.383 17.635 1.00 0.00 N ATOM 0 H HIS A 105 7.623 19.571 14.595 1.00 0.00 H new ATOM 0 HA HIS A 105 6.871 21.720 14.976 1.00 0.00 H new ATOM 0 HB2 HIS A 105 9.715 22.190 13.966 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.783 23.364 14.874 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.016 20.311 15.570 1.00 0.00 H new ATOM 0 HE1 HIS A 105 8.947 21.076 19.170 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.870 19.735 18.137 1.00 0.00 H new ATOM 1606 N HIS A 106 5.820 22.467 12.825 1.00 0.00 N ATOM 1607 CA HIS A 106 5.212 23.186 11.676 1.00 0.00 C ATOM 1608 C HIS A 106 5.517 24.677 11.802 1.00 0.00 C ATOM 1609 O HIS A 106 5.861 25.333 10.839 1.00 0.00 O ATOM 1610 CB HIS A 106 3.692 22.974 11.695 1.00 0.00 C ATOM 1611 CG HIS A 106 3.100 23.593 12.936 1.00 0.00 C ATOM 1612 ND1 HIS A 106 3.226 23.013 14.190 1.00 0.00 N ATOM 1613 CD2 HIS A 106 2.365 24.739 13.129 1.00 0.00 C ATOM 1614 CE1 HIS A 106 2.583 23.801 15.071 1.00 0.00 C ATOM 1615 NE2 HIS A 106 2.040 24.867 14.478 1.00 0.00 N ATOM 0 H HIS A 106 5.151 22.024 13.455 1.00 0.00 H new ATOM 0 HA HIS A 106 5.623 22.805 10.741 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.243 23.419 10.807 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.465 21.908 11.666 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.082 25.435 12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.514 23.596 16.129 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.503 25.614 14.918 1.00 0.00 H new ATOM 1623 N HIS A 107 5.387 25.214 12.985 1.00 0.00 N ATOM 1624 CA HIS A 107 5.656 26.668 13.191 1.00 0.00 C ATOM 1625 C HIS A 107 7.161 26.916 13.283 1.00 0.00 C ATOM 1626 O HIS A 107 7.876 26.265 14.019 1.00 0.00 O ATOM 1627 CB HIS A 107 4.968 27.140 14.481 1.00 0.00 C ATOM 1628 CG HIS A 107 5.377 28.558 14.785 1.00 0.00 C ATOM 1629 ND1 HIS A 107 6.466 28.860 15.590 1.00 0.00 N ATOM 1630 CD2 HIS A 107 4.856 29.767 14.394 1.00 0.00 C ATOM 1631 CE1 HIS A 107 6.563 30.200 15.656 1.00 0.00 C ATOM 1632 NE2 HIS A 107 5.606 30.802 14.945 1.00 0.00 N ATOM 0 H HIS A 107 5.104 24.706 13.823 1.00 0.00 H new ATOM 0 HA HIS A 107 5.259 27.228 12.344 1.00 0.00 H new ATOM 0 HB2 HIS A 107 3.885 27.079 14.370 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.241 26.487 15.310 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.994 29.895 13.755 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.323 30.725 16.216 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.457 31.805 14.830 1.00 0.00 H new ATOM 1640 N HIS A 108 7.629 27.873 12.532 1.00 0.00 N ATOM 1641 CA HIS A 108 9.077 28.219 12.532 1.00 0.00 C ATOM 1642 C HIS A 108 9.907 26.973 12.224 1.00 0.00 C ATOM 1643 O HIS A 108 9.966 26.601 11.063 1.00 0.00 O ATOM 1644 CB HIS A 108 9.466 28.790 13.898 1.00 0.00 C ATOM 1645 CG HIS A 108 10.858 29.350 13.822 1.00 0.00 C ATOM 1646 ND1 HIS A 108 11.983 28.553 13.960 1.00 0.00 N ATOM 1647 CD2 HIS A 108 11.325 30.625 13.614 1.00 0.00 C ATOM 1648 CE1 HIS A 108 13.061 29.348 13.834 1.00 0.00 C ATOM 1649 NE2 HIS A 108 12.716 30.621 13.622 1.00 0.00 N ATOM 1650 OXT HIS A 108 10.470 26.411 13.150 1.00 0.00 O ATOM 0 H HIS A 108 7.057 28.441 11.906 1.00 0.00 H new ATOM 0 HA HIS A 108 9.272 28.968 11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.763 29.569 14.193 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.416 28.011 14.659 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.992 27.547 14.127 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.706 31.498 13.467 1.00 0.00 H new ATOM 0 HE1 HIS A 108 14.081 28.999 13.897 1.00 0.00 H new TER 1658 HIS A 108