USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -67:sc= 0.264 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0.981 USER MOD Set 2.2: A 10 ASN :FLIP amide:sc= 1.2 F(o=-1.8!,f=2.2) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0316 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -111:sc= 0.373 USER MOD Single : A 8 MET CE :methyl -137:sc= -0.996 (180deg=-3.21!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=-0.39) USER MOD Single : A 45 ASN : amide:sc= -1.4 K(o=-1.4,f=-6.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.0658 (180deg=-0.502) USER MOD Single : A 60 TYR OH : rot -30:sc= -0.916 USER MOD Single : A 64 SER OG : rot 116:sc= 0.988 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0224) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 68:sc= 0.542 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 87 SER OG : rot 34:sc= 0.63 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.614 -5.522 -11.325 1.00 0.00 N ATOM 2 CA GLY A 1 -14.326 -5.133 -10.781 1.00 0.00 C ATOM 3 C GLY A 1 -14.333 -3.724 -10.222 1.00 0.00 C ATOM 4 O GLY A 1 -15.056 -2.858 -10.714 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.471 -6.063 -12.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.119 -6.111 -10.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.175 -4.671 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.042 -5.831 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.568 -5.207 -11.561 1.00 0.00 H new ATOM 8 N SER A 2 -13.529 -3.494 -9.189 1.00 0.00 N ATOM 9 CA SER A 2 -13.450 -2.182 -8.559 1.00 0.00 C ATOM 10 C SER A 2 -12.956 -1.132 -9.549 1.00 0.00 C ATOM 11 O SER A 2 -12.202 -1.440 -10.472 1.00 0.00 O ATOM 12 CB SER A 2 -12.521 -2.231 -7.345 1.00 0.00 C ATOM 13 OG SER A 2 -12.303 -0.934 -6.816 1.00 0.00 O ATOM 0 H SER A 2 -12.923 -4.200 -8.771 1.00 0.00 H new ATOM 0 HA SER A 2 -14.451 -1.904 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.954 -2.872 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.568 -2.676 -7.631 1.00 0.00 H new ATOM 0 HG SER A 2 -11.707 -0.993 -6.040 1.00 0.00 H new ATOM 19 N SER A 3 -13.387 0.109 -9.351 1.00 0.00 N ATOM 20 CA SER A 3 -12.993 1.205 -10.228 1.00 0.00 C ATOM 21 C SER A 3 -11.559 1.642 -9.942 1.00 0.00 C ATOM 22 O SER A 3 -10.770 1.860 -10.859 1.00 0.00 O ATOM 23 CB SER A 3 -13.943 2.392 -10.056 1.00 0.00 C ATOM 24 OG SER A 3 -15.294 1.989 -10.201 1.00 0.00 O ATOM 0 H SER A 3 -14.010 0.381 -8.590 1.00 0.00 H new ATOM 0 HA SER A 3 -13.048 0.851 -11.257 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.797 2.839 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.708 3.160 -10.793 1.00 0.00 H new ATOM 0 HG SER A 3 -15.881 2.765 -10.085 1.00 0.00 H new ATOM 30 N GLY A 4 -11.230 1.767 -8.659 1.00 0.00 N ATOM 31 CA GLY A 4 -9.893 2.176 -8.273 1.00 0.00 C ATOM 32 C GLY A 4 -9.874 3.537 -7.605 1.00 0.00 C ATOM 33 O GLY A 4 -10.777 4.348 -7.806 1.00 0.00 O ATOM 0 H GLY A 4 -11.866 1.592 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.472 1.435 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.254 2.199 -9.156 1.00 0.00 H new ATOM 37 N SER A 5 -8.841 3.787 -6.806 1.00 0.00 N ATOM 38 CA SER A 5 -8.711 5.057 -6.101 1.00 0.00 C ATOM 39 C SER A 5 -8.330 6.177 -7.065 1.00 0.00 C ATOM 40 O SER A 5 -8.022 5.929 -8.231 1.00 0.00 O ATOM 41 CB SER A 5 -7.662 4.944 -4.993 1.00 0.00 C ATOM 42 OG SER A 5 -6.374 4.704 -5.533 1.00 0.00 O ATOM 0 H SER A 5 -8.083 3.128 -6.631 1.00 0.00 H new ATOM 0 HA SER A 5 -9.676 5.297 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.648 5.862 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.932 4.135 -4.314 1.00 0.00 H new ATOM 0 HG SER A 5 -5.721 4.638 -4.805 1.00 0.00 H new ATOM 48 N SER A 6 -8.354 7.410 -6.569 1.00 0.00 N ATOM 49 CA SER A 6 -8.016 8.569 -7.386 1.00 0.00 C ATOM 50 C SER A 6 -6.908 9.390 -6.732 1.00 0.00 C ATOM 51 O SER A 6 -7.059 9.875 -5.612 1.00 0.00 O ATOM 52 CB SER A 6 -9.252 9.443 -7.605 1.00 0.00 C ATOM 53 OG SER A 6 -9.179 10.130 -8.843 1.00 0.00 O ATOM 0 H SER A 6 -8.604 7.632 -5.605 1.00 0.00 H new ATOM 0 HA SER A 6 -7.658 8.210 -8.351 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.148 8.823 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.341 10.163 -6.791 1.00 0.00 H new ATOM 0 HG SER A 6 -9.056 11.088 -8.679 1.00 0.00 H new ATOM 59 N GLY A 7 -5.794 9.540 -7.442 1.00 0.00 N ATOM 60 CA GLY A 7 -4.676 10.302 -6.916 1.00 0.00 C ATOM 61 C GLY A 7 -3.341 9.804 -7.432 1.00 0.00 C ATOM 62 O GLY A 7 -3.046 9.919 -8.622 1.00 0.00 O ATOM 0 H GLY A 7 -5.646 9.148 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.797 11.351 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.684 10.249 -5.827 1.00 0.00 H new ATOM 66 N MET A 8 -2.531 9.250 -6.536 1.00 0.00 N ATOM 67 CA MET A 8 -1.219 8.733 -6.909 1.00 0.00 C ATOM 68 C MET A 8 -0.678 7.796 -5.834 1.00 0.00 C ATOM 69 O MET A 8 -1.023 7.920 -4.659 1.00 0.00 O ATOM 70 CB MET A 8 -0.239 9.886 -7.137 1.00 0.00 C ATOM 71 CG MET A 8 0.934 9.518 -8.030 1.00 0.00 C ATOM 72 SD MET A 8 0.522 9.594 -9.784 1.00 0.00 S ATOM 73 CE MET A 8 -0.091 7.934 -10.060 1.00 0.00 C ATOM 0 H MET A 8 -2.760 9.147 -5.547 1.00 0.00 H new ATOM 0 HA MET A 8 -1.328 8.169 -7.836 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.775 10.725 -7.582 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.141 10.225 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.766 10.192 -7.827 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.272 8.511 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.307 7.551 -10.999 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.226 7.288 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.180 7.951 -10.108 1.00 0.00 H new ATOM 83 N ALA A 9 0.169 6.858 -6.244 1.00 0.00 N ATOM 84 CA ALA A 9 0.758 5.901 -5.316 1.00 0.00 C ATOM 85 C ALA A 9 -0.306 4.983 -4.726 1.00 0.00 C ATOM 86 O ALA A 9 -0.322 4.728 -3.522 1.00 0.00 O ATOM 87 CB ALA A 9 1.502 6.631 -4.207 1.00 0.00 C ATOM 0 H ALA A 9 0.463 6.740 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 9 1.466 5.284 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.937 5.904 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.295 7.240 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.808 7.272 -3.664 1.00 0.00 H new ATOM 93 N ASN A 10 -1.195 4.488 -5.581 1.00 0.00 N ATOM 94 CA ASN A 10 -2.264 3.598 -5.144 1.00 0.00 C ATOM 95 C ASN A 10 -1.694 2.343 -4.490 1.00 0.00 C ATOM 96 O ASN A 10 -0.822 1.679 -5.052 1.00 0.00 O ATOM 97 CB ASN A 10 -3.151 3.211 -6.329 1.00 0.00 C ATOM 98 CG ASN A 10 -3.331 4.351 -7.312 1.00 0.00 C ATOM 99 OD1 ASN A 10 -2.447 4.425 -8.301 1.00 0.00 O flip ATOM 100 ND2 ASN A 10 -4.255 5.155 -7.185 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.196 4.688 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.866 4.129 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.712 2.356 -6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.127 2.895 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.911 5.060 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.364 5.916 -7.855 1.00 0.00 H new ATOM 107 N TYR A 11 -2.192 2.024 -3.300 1.00 0.00 N ATOM 108 CA TYR A 11 -1.731 0.850 -2.569 1.00 0.00 C ATOM 109 C TYR A 11 -1.548 -0.339 -3.507 1.00 0.00 C ATOM 110 O TYR A 11 -0.626 -1.138 -3.342 1.00 0.00 O ATOM 111 CB TYR A 11 -2.723 0.492 -1.461 1.00 0.00 C ATOM 112 CG TYR A 11 -2.651 1.413 -0.264 1.00 0.00 C ATOM 113 CD1 TYR A 11 -2.114 2.689 -0.375 1.00 0.00 C ATOM 114 CD2 TYR A 11 -3.123 1.007 0.979 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.046 3.534 0.716 1.00 0.00 C ATOM 116 CE2 TYR A 11 -3.061 1.846 2.075 1.00 0.00 C ATOM 117 CZ TYR A 11 -2.521 3.107 1.939 1.00 0.00 C ATOM 118 OH TYR A 11 -2.457 3.946 3.028 1.00 0.00 O ATOM 0 H TYR A 11 -2.915 2.562 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.766 1.088 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.734 0.517 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.536 -0.531 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.743 3.027 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.545 0.019 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.624 4.523 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.434 1.516 3.033 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.834 3.494 3.812 1.00 0.00 H new ATOM 128 N TYR A 12 -2.433 -0.449 -4.491 1.00 0.00 N ATOM 129 CA TYR A 12 -2.372 -1.541 -5.455 1.00 0.00 C ATOM 130 C TYR A 12 -1.035 -1.544 -6.191 1.00 0.00 C ATOM 131 O TYR A 12 -0.438 -2.598 -6.410 1.00 0.00 O ATOM 132 CB TYR A 12 -3.519 -1.426 -6.461 1.00 0.00 C ATOM 133 CG TYR A 12 -4.866 -1.808 -5.889 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.185 -3.138 -5.641 1.00 0.00 C ATOM 135 CD2 TYR A 12 -5.819 -0.840 -5.597 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.415 -3.491 -5.119 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.050 -1.184 -5.074 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.343 -2.511 -4.837 1.00 0.00 C ATOM 139 OH TYR A 12 -8.569 -2.858 -4.317 1.00 0.00 O ATOM 0 H TYR A 12 -3.201 0.205 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.468 -2.479 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.567 -0.401 -6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.304 -2.063 -7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.460 -3.908 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.593 0.200 -5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.648 -4.529 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.779 -0.419 -4.852 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.105 -2.050 -4.175 1.00 0.00 H new ATOM 149 N GLU A 13 -0.572 -0.357 -6.568 1.00 0.00 N ATOM 150 CA GLU A 13 0.695 -0.222 -7.278 1.00 0.00 C ATOM 151 C GLU A 13 1.874 -0.446 -6.336 1.00 0.00 C ATOM 152 O GLU A 13 2.871 -1.065 -6.708 1.00 0.00 O ATOM 153 CB GLU A 13 0.799 1.161 -7.923 1.00 0.00 C ATOM 154 CG GLU A 13 -0.289 1.438 -8.948 1.00 0.00 C ATOM 155 CD GLU A 13 0.063 0.918 -10.328 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.968 1.495 -10.966 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.567 -0.066 -10.769 1.00 0.00 O ATOM 0 H GLU A 13 -1.054 0.525 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 13 0.727 -0.982 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.753 1.921 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.772 1.256 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.220 0.978 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.466 2.512 -9.003 1.00 0.00 H new ATOM 164 N VAL A 14 1.752 0.062 -5.114 1.00 0.00 N ATOM 165 CA VAL A 14 2.806 -0.082 -4.117 1.00 0.00 C ATOM 166 C VAL A 14 3.173 -1.548 -3.913 1.00 0.00 C ATOM 167 O VAL A 14 4.349 -1.894 -3.794 1.00 0.00 O ATOM 168 CB VAL A 14 2.387 0.525 -2.765 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.434 0.233 -1.701 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.157 2.022 -2.902 1.00 0.00 C ATOM 0 H VAL A 14 0.933 0.577 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 14 3.675 0.457 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 14 1.450 0.064 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.121 0.670 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.544 -0.845 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.389 0.665 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.862 2.435 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.077 2.502 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.368 2.204 -3.631 1.00 0.00 H new ATOM 180 N LEU A 15 2.159 -2.405 -3.873 1.00 0.00 N ATOM 181 CA LEU A 15 2.373 -3.835 -3.683 1.00 0.00 C ATOM 182 C LEU A 15 2.550 -4.542 -5.023 1.00 0.00 C ATOM 183 O LEU A 15 3.345 -5.473 -5.146 1.00 0.00 O ATOM 184 CB LEU A 15 1.199 -4.450 -2.920 1.00 0.00 C ATOM 185 CG LEU A 15 1.170 -4.195 -1.412 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.260 -4.200 -0.897 1.00 0.00 C ATOM 187 CD2 LEU A 15 2.007 -5.234 -0.680 1.00 0.00 C ATOM 0 H LEU A 15 1.180 -2.134 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 15 3.285 -3.966 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.273 -4.069 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.208 -5.527 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 15 1.599 -3.211 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.260 -4.017 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.830 -3.418 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.717 -5.169 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.975 -5.037 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.608 -6.229 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.039 -5.181 -1.028 1.00 0.00 H new ATOM 199 N GLY A 16 1.803 -4.091 -6.027 1.00 0.00 N ATOM 200 CA GLY A 16 1.893 -4.691 -7.346 1.00 0.00 C ATOM 201 C GLY A 16 0.774 -5.678 -7.612 1.00 0.00 C ATOM 202 O GLY A 16 0.991 -6.723 -8.225 1.00 0.00 O ATOM 0 H GLY A 16 1.138 -3.322 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.868 -3.906 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.852 -5.199 -7.446 1.00 0.00 H new ATOM 206 N VAL A 17 -0.427 -5.348 -7.148 1.00 0.00 N ATOM 207 CA VAL A 17 -1.584 -6.213 -7.338 1.00 0.00 C ATOM 208 C VAL A 17 -2.807 -5.410 -7.766 1.00 0.00 C ATOM 209 O VAL A 17 -2.789 -4.179 -7.751 1.00 0.00 O ATOM 210 CB VAL A 17 -1.920 -6.993 -6.053 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.741 -7.855 -5.628 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.321 -6.037 -4.940 1.00 0.00 C ATOM 0 H VAL A 17 -0.624 -4.487 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.323 -6.920 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.765 -7.651 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.997 -8.399 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.505 -8.565 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.125 -7.220 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.555 -6.605 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.498 -5.353 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.198 -5.467 -5.248 1.00 0.00 H new ATOM 222 N GLN A 18 -3.868 -6.114 -8.146 1.00 0.00 N ATOM 223 CA GLN A 18 -5.100 -5.465 -8.579 1.00 0.00 C ATOM 224 C GLN A 18 -6.273 -5.879 -7.695 1.00 0.00 C ATOM 225 O GLN A 18 -6.221 -6.907 -7.021 1.00 0.00 O ATOM 226 CB GLN A 18 -5.399 -5.812 -10.038 1.00 0.00 C ATOM 227 CG GLN A 18 -4.419 -5.195 -11.023 1.00 0.00 C ATOM 228 CD GLN A 18 -4.650 -5.662 -12.447 1.00 0.00 C ATOM 229 OE1 GLN A 18 -4.917 -4.858 -13.340 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.547 -6.968 -12.666 1.00 0.00 N ATOM 0 H GLN A 18 -3.900 -7.133 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.964 -4.387 -8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.385 -6.896 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.407 -5.477 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.504 -4.109 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.402 -5.446 -10.723 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.324 -7.598 -11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.691 -7.341 -13.604 1.00 0.00 H new ATOM 239 N ALA A 19 -7.328 -5.072 -7.705 1.00 0.00 N ATOM 240 CA ALA A 19 -8.514 -5.356 -6.905 1.00 0.00 C ATOM 241 C ALA A 19 -9.042 -6.759 -7.186 1.00 0.00 C ATOM 242 O ALA A 19 -9.417 -7.486 -6.266 1.00 0.00 O ATOM 243 CB ALA A 19 -9.594 -4.319 -7.177 1.00 0.00 C ATOM 0 H ALA A 19 -7.386 -4.217 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.234 -5.306 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.474 -4.543 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.220 -3.328 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.863 -4.342 -8.233 1.00 0.00 H new ATOM 249 N SER A 20 -9.068 -7.132 -8.461 1.00 0.00 N ATOM 250 CA SER A 20 -9.555 -8.447 -8.862 1.00 0.00 C ATOM 251 C SER A 20 -8.637 -9.549 -8.340 1.00 0.00 C ATOM 252 O SER A 20 -8.923 -10.735 -8.496 1.00 0.00 O ATOM 253 CB SER A 20 -9.658 -8.533 -10.386 1.00 0.00 C ATOM 254 OG SER A 20 -8.428 -8.189 -11.001 1.00 0.00 O ATOM 0 H SER A 20 -8.758 -6.543 -9.234 1.00 0.00 H new ATOM 0 HA SER A 20 -10.545 -8.588 -8.429 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.944 -9.544 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.444 -7.865 -10.739 1.00 0.00 H new ATOM 0 HG SER A 20 -8.520 -8.253 -11.975 1.00 0.00 H new ATOM 260 N ALA A 21 -7.533 -9.146 -7.720 1.00 0.00 N ATOM 261 CA ALA A 21 -6.574 -10.097 -7.173 1.00 0.00 C ATOM 262 C ALA A 21 -7.154 -10.830 -5.968 1.00 0.00 C ATOM 263 O ALA A 21 -8.038 -10.316 -5.283 1.00 0.00 O ATOM 264 CB ALA A 21 -5.285 -9.385 -6.789 1.00 0.00 C ATOM 0 H ALA A 21 -7.281 -8.167 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.353 -10.836 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.578 -10.107 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.854 -8.912 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.499 -8.624 -6.038 1.00 0.00 H new ATOM 270 N SER A 22 -6.651 -12.034 -5.716 1.00 0.00 N ATOM 271 CA SER A 22 -7.123 -12.841 -4.596 1.00 0.00 C ATOM 272 C SER A 22 -6.551 -12.327 -3.278 1.00 0.00 C ATOM 273 O SER A 22 -5.490 -11.703 -3.233 1.00 0.00 O ATOM 274 CB SER A 22 -6.735 -14.307 -4.797 1.00 0.00 C ATOM 275 OG SER A 22 -7.335 -14.837 -5.966 1.00 0.00 O ATOM 0 H SER A 22 -5.917 -12.473 -6.272 1.00 0.00 H new ATOM 0 HA SER A 22 -8.209 -12.763 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.651 -14.393 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.043 -14.890 -3.929 1.00 0.00 H new ATOM 0 HG SER A 22 -7.070 -15.774 -6.073 1.00 0.00 H new ATOM 281 N PRO A 23 -7.269 -12.596 -2.178 1.00 0.00 N ATOM 282 CA PRO A 23 -6.853 -12.171 -0.837 1.00 0.00 C ATOM 283 C PRO A 23 -5.629 -12.932 -0.342 1.00 0.00 C ATOM 284 O PRO A 23 -5.040 -12.581 0.679 1.00 0.00 O ATOM 285 CB PRO A 23 -8.072 -12.495 0.031 1.00 0.00 C ATOM 286 CG PRO A 23 -8.772 -13.592 -0.693 1.00 0.00 C ATOM 287 CD PRO A 23 -8.543 -13.335 -2.157 1.00 0.00 C ATOM 0 HA PRO A 23 -6.563 -11.121 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.774 -12.808 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.717 -11.624 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.378 -14.566 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.837 -13.596 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.478 -14.264 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.353 -12.752 -2.594 1.00 0.00 H new ATOM 295 N GLU A 24 -5.250 -13.976 -1.074 1.00 0.00 N ATOM 296 CA GLU A 24 -4.095 -14.787 -0.707 1.00 0.00 C ATOM 297 C GLU A 24 -2.845 -14.319 -1.448 1.00 0.00 C ATOM 298 O GLU A 24 -1.725 -14.498 -0.971 1.00 0.00 O ATOM 299 CB GLU A 24 -4.361 -16.262 -1.013 1.00 0.00 C ATOM 300 CG GLU A 24 -4.725 -16.526 -2.464 1.00 0.00 C ATOM 301 CD GLU A 24 -4.887 -18.004 -2.765 1.00 0.00 C ATOM 302 OE1 GLU A 24 -3.918 -18.762 -2.550 1.00 0.00 O ATOM 303 OE2 GLU A 24 -5.981 -18.401 -3.216 1.00 0.00 O ATOM 0 H GLU A 24 -5.726 -14.279 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.927 -14.671 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.475 -16.843 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.169 -16.617 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.653 -16.007 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.952 -16.110 -3.110 1.00 0.00 H new ATOM 310 N ASP A 25 -3.047 -13.721 -2.617 1.00 0.00 N ATOM 311 CA ASP A 25 -1.938 -13.227 -3.424 1.00 0.00 C ATOM 312 C ASP A 25 -1.299 -12.002 -2.779 1.00 0.00 C ATOM 313 O ASP A 25 -0.076 -11.915 -2.665 1.00 0.00 O ATOM 314 CB ASP A 25 -2.419 -12.884 -4.835 1.00 0.00 C ATOM 315 CG ASP A 25 -2.362 -14.074 -5.772 1.00 0.00 C ATOM 316 OD1 ASP A 25 -2.930 -15.131 -5.425 1.00 0.00 O ATOM 317 OD2 ASP A 25 -1.750 -13.949 -6.853 1.00 0.00 O ATOM 0 H ASP A 25 -3.968 -13.567 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.187 -14.015 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.443 -12.512 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.806 -12.078 -5.239 1.00 0.00 H new ATOM 322 N ILE A 26 -2.134 -11.057 -2.360 1.00 0.00 N ATOM 323 CA ILE A 26 -1.651 -9.836 -1.727 1.00 0.00 C ATOM 324 C ILE A 26 -0.768 -10.154 -0.525 1.00 0.00 C ATOM 325 O ILE A 26 0.257 -9.508 -0.305 1.00 0.00 O ATOM 326 CB ILE A 26 -2.816 -8.939 -1.271 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.615 -8.450 -2.481 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.293 -7.761 -0.463 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.073 -8.185 -2.175 1.00 0.00 C ATOM 0 H ILE A 26 -3.149 -11.114 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.065 -9.303 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.479 -9.525 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.160 -7.536 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.548 -9.194 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.129 -7.136 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.764 -8.129 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.611 -7.172 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.578 -7.841 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.544 -9.103 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.149 -7.419 -1.403 1.00 0.00 H new ATOM 341 N LYS A 27 -1.172 -11.154 0.251 1.00 0.00 N ATOM 342 CA LYS A 27 -0.417 -11.561 1.431 1.00 0.00 C ATOM 343 C LYS A 27 0.918 -12.184 1.034 1.00 0.00 C ATOM 344 O LYS A 27 1.973 -11.784 1.527 1.00 0.00 O ATOM 345 CB LYS A 27 -1.229 -12.555 2.263 1.00 0.00 C ATOM 346 CG LYS A 27 -0.433 -13.204 3.382 1.00 0.00 C ATOM 347 CD LYS A 27 -0.987 -14.573 3.740 1.00 0.00 C ATOM 348 CE LYS A 27 -2.273 -14.461 4.545 1.00 0.00 C ATOM 349 NZ LYS A 27 -3.039 -15.738 4.547 1.00 0.00 N ATOM 0 H LYS A 27 -2.019 -11.698 0.084 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.219 -10.672 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.089 -12.040 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.618 -13.333 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.610 -13.300 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.451 -12.562 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.175 -15.140 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.245 -15.128 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.036 -14.178 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.893 -13.666 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.908 -15.621 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.287 -15.995 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.457 -16.491 4.966 1.00 0.00 H new ATOM 363 N LYS A 28 0.865 -13.164 0.139 1.00 0.00 N ATOM 364 CA LYS A 28 2.069 -13.842 -0.327 1.00 0.00 C ATOM 365 C LYS A 28 3.042 -12.850 -0.957 1.00 0.00 C ATOM 366 O LYS A 28 4.251 -12.929 -0.741 1.00 0.00 O ATOM 367 CB LYS A 28 1.707 -14.931 -1.339 1.00 0.00 C ATOM 368 CG LYS A 28 0.951 -16.099 -0.730 1.00 0.00 C ATOM 369 CD LYS A 28 0.312 -16.968 -1.801 1.00 0.00 C ATOM 370 CE LYS A 28 1.302 -17.978 -2.362 1.00 0.00 C ATOM 371 NZ LYS A 28 1.460 -19.157 -1.466 1.00 0.00 N ATOM 0 H LYS A 28 0.000 -13.507 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 28 2.553 -14.302 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.102 -14.492 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.621 -15.303 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.633 -16.702 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.180 -15.724 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.546 -17.493 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.063 -16.337 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.964 -18.311 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.270 -17.497 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.142 -19.821 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.806 -18.843 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.542 -19.631 -1.351 1.00 0.00 H new ATOM 385 N ALA A 29 2.505 -11.916 -1.736 1.00 0.00 N ATOM 386 CA ALA A 29 3.326 -10.907 -2.395 1.00 0.00 C ATOM 387 C ALA A 29 4.091 -10.070 -1.375 1.00 0.00 C ATOM 388 O ALA A 29 5.309 -9.919 -1.471 1.00 0.00 O ATOM 389 CB ALA A 29 2.461 -10.014 -3.272 1.00 0.00 C ATOM 0 H ALA A 29 1.506 -11.837 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 29 4.054 -11.420 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.087 -9.265 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.965 -10.620 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.711 -9.516 -2.657 1.00 0.00 H new ATOM 395 N TYR A 30 3.369 -9.529 -0.400 1.00 0.00 N ATOM 396 CA TYR A 30 3.979 -8.704 0.636 1.00 0.00 C ATOM 397 C TYR A 30 5.240 -9.364 1.184 1.00 0.00 C ATOM 398 O TYR A 30 6.339 -8.821 1.069 1.00 0.00 O ATOM 399 CB TYR A 30 2.985 -8.456 1.771 1.00 0.00 C ATOM 400 CG TYR A 30 3.644 -8.129 3.092 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.089 -6.843 3.370 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.820 -9.107 4.064 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.692 -6.540 4.575 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.421 -8.813 5.272 1.00 0.00 C ATOM 405 CZ TYR A 30 4.856 -7.528 5.523 1.00 0.00 C ATOM 406 OH TYR A 30 5.455 -7.230 6.725 1.00 0.00 O ATOM 0 H TYR A 30 2.360 -9.647 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 30 4.255 -7.749 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.324 -7.636 1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.360 -9.340 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.961 -6.066 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.481 -10.114 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.033 -5.535 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.550 -9.585 6.016 1.00 0.00 H new ATOM 0 HH TYR A 30 5.492 -8.036 7.281 1.00 0.00 H new ATOM 416 N ARG A 31 5.073 -10.540 1.780 1.00 0.00 N ATOM 417 CA ARG A 31 6.197 -11.276 2.348 1.00 0.00 C ATOM 418 C ARG A 31 7.458 -11.070 1.514 1.00 0.00 C ATOM 419 O ARG A 31 8.472 -10.581 2.012 1.00 0.00 O ATOM 420 CB ARG A 31 5.867 -12.767 2.434 1.00 0.00 C ATOM 421 CG ARG A 31 4.704 -13.081 3.361 1.00 0.00 C ATOM 422 CD ARG A 31 4.792 -14.498 3.905 1.00 0.00 C ATOM 423 NE ARG A 31 3.485 -15.016 4.298 1.00 0.00 N ATOM 424 CZ ARG A 31 3.201 -16.311 4.377 1.00 0.00 C ATOM 425 NH1 ARG A 31 4.128 -17.215 4.093 1.00 0.00 N ATOM 426 NH2 ARG A 31 1.987 -16.705 4.742 1.00 0.00 N ATOM 0 H ARG A 31 4.170 -11.004 1.882 1.00 0.00 H new ATOM 0 HA ARG A 31 6.379 -10.893 3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.635 -13.137 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.750 -13.307 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.696 -12.372 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.764 -12.954 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.228 -15.150 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.462 -14.515 4.765 1.00 0.00 H new ATOM 0 HE ARG A 31 2.749 -14.347 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.062 -16.917 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.907 -18.209 4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.271 -16.013 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.770 -17.700 4.802 1.00 0.00 H new ATOM 440 N LYS A 32 7.388 -11.448 0.242 1.00 0.00 N ATOM 441 CA LYS A 32 8.522 -11.305 -0.663 1.00 0.00 C ATOM 442 C LYS A 32 8.901 -9.837 -0.833 1.00 0.00 C ATOM 443 O LYS A 32 10.070 -9.469 -0.708 1.00 0.00 O ATOM 444 CB LYS A 32 8.194 -11.919 -2.026 1.00 0.00 C ATOM 445 CG LYS A 32 8.175 -13.438 -2.020 1.00 0.00 C ATOM 446 CD LYS A 32 6.818 -13.977 -1.598 1.00 0.00 C ATOM 447 CE LYS A 32 6.718 -15.477 -1.830 1.00 0.00 C ATOM 448 NZ LYS A 32 7.424 -16.250 -0.771 1.00 0.00 N ATOM 0 H LYS A 32 6.557 -11.856 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 32 9.371 -11.833 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.222 -11.553 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.928 -11.576 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.422 -13.810 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.942 -13.810 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.651 -13.759 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.033 -13.468 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.669 -15.771 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.142 -15.723 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.333 -17.268 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.430 -15.988 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.003 -16.035 0.155 1.00 0.00 H new ATOM 462 N LEU A 33 7.907 -9.003 -1.117 1.00 0.00 N ATOM 463 CA LEU A 33 8.136 -7.575 -1.303 1.00 0.00 C ATOM 464 C LEU A 33 9.011 -7.014 -0.186 1.00 0.00 C ATOM 465 O LEU A 33 9.964 -6.279 -0.441 1.00 0.00 O ATOM 466 CB LEU A 33 6.803 -6.826 -1.347 1.00 0.00 C ATOM 467 CG LEU A 33 5.975 -7.004 -2.620 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.586 -6.411 -2.440 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.680 -6.365 -3.808 1.00 0.00 C ATOM 0 H LEU A 33 6.934 -9.291 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 33 8.655 -7.436 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.200 -7.147 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.002 -5.763 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 33 5.870 -8.071 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.011 -6.547 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.080 -6.914 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.670 -5.347 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.077 -6.501 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.816 -5.300 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.653 -6.836 -3.950 1.00 0.00 H new ATOM 481 N ALA A 34 8.681 -7.368 1.052 1.00 0.00 N ATOM 482 CA ALA A 34 9.438 -6.904 2.207 1.00 0.00 C ATOM 483 C ALA A 34 10.936 -7.092 1.993 1.00 0.00 C ATOM 484 O ALA A 34 11.736 -6.214 2.318 1.00 0.00 O ATOM 485 CB ALA A 34 8.987 -7.635 3.463 1.00 0.00 C ATOM 0 H ALA A 34 7.894 -7.975 1.280 1.00 0.00 H new ATOM 0 HA ALA A 34 9.246 -5.838 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.561 -7.278 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.927 -7.446 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.149 -8.706 3.339 1.00 0.00 H new ATOM 491 N LEU A 35 11.311 -8.243 1.444 1.00 0.00 N ATOM 492 CA LEU A 35 12.714 -8.547 1.187 1.00 0.00 C ATOM 493 C LEU A 35 13.218 -7.795 -0.042 1.00 0.00 C ATOM 494 O LEU A 35 14.351 -7.316 -0.067 1.00 0.00 O ATOM 495 CB LEU A 35 12.902 -10.052 0.990 1.00 0.00 C ATOM 496 CG LEU A 35 13.126 -10.872 2.261 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.769 -12.331 2.025 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.567 -10.743 2.733 1.00 0.00 C ATOM 0 H LEU A 35 10.663 -8.981 1.169 1.00 0.00 H new ATOM 0 HA LEU A 35 13.294 -8.224 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.023 -10.444 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.752 -10.208 0.326 1.00 0.00 H new ATOM 0 HG LEU A 35 12.473 -10.481 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.935 -12.899 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.721 -12.407 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.395 -12.735 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.707 -11.333 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.239 -11.106 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.789 -9.697 2.944 1.00 0.00 H new ATOM 510 N ARG A 36 12.367 -7.694 -1.057 1.00 0.00 N ATOM 511 CA ARG A 36 12.725 -7.000 -2.288 1.00 0.00 C ATOM 512 C ARG A 36 13.063 -5.538 -2.009 1.00 0.00 C ATOM 513 O ARG A 36 14.140 -5.061 -2.366 1.00 0.00 O ATOM 514 CB ARG A 36 11.580 -7.086 -3.299 1.00 0.00 C ATOM 515 CG ARG A 36 11.791 -6.223 -4.532 1.00 0.00 C ATOM 516 CD ARG A 36 11.118 -6.826 -5.756 1.00 0.00 C ATOM 517 NE ARG A 36 11.230 -5.958 -6.925 1.00 0.00 N ATOM 518 CZ ARG A 36 11.200 -6.404 -8.176 1.00 0.00 C ATOM 519 NH1 ARG A 36 11.063 -7.700 -8.419 1.00 0.00 N ATOM 520 NH2 ARG A 36 11.307 -5.551 -9.188 1.00 0.00 N ATOM 0 H ARG A 36 11.425 -8.084 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 36 13.607 -7.486 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.457 -8.124 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.652 -6.787 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.393 -5.225 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.859 -6.111 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.569 -7.793 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.065 -7.007 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 36 11.337 -4.955 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.980 -8.358 -7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.040 -8.039 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.412 -4.553 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.284 -5.894 -10.148 1.00 0.00 H new ATOM 534 N TRP A 37 12.136 -4.834 -1.371 1.00 0.00 N ATOM 535 CA TRP A 37 12.335 -3.426 -1.045 1.00 0.00 C ATOM 536 C TRP A 37 13.149 -3.274 0.236 1.00 0.00 C ATOM 537 O TRP A 37 13.225 -2.187 0.809 1.00 0.00 O ATOM 538 CB TRP A 37 10.987 -2.721 -0.893 1.00 0.00 C ATOM 539 CG TRP A 37 10.400 -2.275 -2.199 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.339 -2.832 -2.853 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.843 -1.180 -3.008 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.096 -2.150 -4.021 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.004 -1.132 -4.139 1.00 0.00 C ATOM 544 CE3 TRP A 37 11.865 -0.235 -2.887 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.158 -0.176 -5.139 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.018 0.712 -3.882 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.168 0.737 -4.995 1.00 0.00 C ATOM 0 H TRP A 37 11.239 -5.214 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 37 12.888 -2.964 -1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.286 -3.394 -0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.109 -1.855 -0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.774 -3.683 -2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.359 -2.367 -4.691 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.524 -0.244 -2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.504 -0.155 -5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.807 1.445 -3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.312 1.491 -5.754 1.00 0.00 H new ATOM 558 N HIS A 38 13.757 -4.370 0.679 1.00 0.00 N ATOM 559 CA HIS A 38 14.566 -4.358 1.893 1.00 0.00 C ATOM 560 C HIS A 38 15.787 -3.458 1.722 1.00 0.00 C ATOM 561 O HIS A 38 16.426 -3.431 0.670 1.00 0.00 O ATOM 562 CB HIS A 38 15.010 -5.776 2.250 1.00 0.00 C ATOM 563 CG HIS A 38 15.281 -5.969 3.711 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.489 -5.656 4.299 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.493 -6.444 4.703 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.431 -5.932 5.590 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.231 -6.411 5.860 1.00 0.00 N ATOM 0 H HIS A 38 13.705 -5.277 0.216 1.00 0.00 H new ATOM 0 HA HIS A 38 13.954 -3.963 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.239 -6.479 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.911 -6.018 1.687 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.473 -6.786 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.230 -5.790 6.303 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.905 -6.708 6.780 1.00 0.00 H new ATOM 575 N PRO A 39 16.120 -2.704 2.780 1.00 0.00 N ATOM 576 CA PRO A 39 17.265 -1.790 2.772 1.00 0.00 C ATOM 577 C PRO A 39 18.598 -2.530 2.757 1.00 0.00 C ATOM 578 O PRO A 39 19.538 -2.123 2.074 1.00 0.00 O ATOM 579 CB PRO A 39 17.103 -1.006 4.077 1.00 0.00 C ATOM 580 CG PRO A 39 16.324 -1.910 4.968 1.00 0.00 C ATOM 581 CD PRO A 39 15.403 -2.686 4.067 1.00 0.00 C ATOM 0 HA PRO A 39 17.279 -1.163 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.071 -0.758 4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.578 -0.065 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.985 -2.579 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.759 -1.340 5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.228 -3.694 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.429 -2.205 3.978 1.00 0.00 H new ATOM 589 N ASP A 40 18.672 -3.620 3.514 1.00 0.00 N ATOM 590 CA ASP A 40 19.890 -4.419 3.586 1.00 0.00 C ATOM 591 C ASP A 40 20.186 -5.082 2.245 1.00 0.00 C ATOM 592 O ASP A 40 21.343 -5.220 1.849 1.00 0.00 O ATOM 593 CB ASP A 40 19.763 -5.482 4.678 1.00 0.00 C ATOM 594 CG ASP A 40 20.913 -6.470 4.661 1.00 0.00 C ATOM 595 OD1 ASP A 40 22.039 -6.076 5.029 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.688 -7.637 4.277 1.00 0.00 O ATOM 0 H ASP A 40 17.903 -3.970 4.086 1.00 0.00 H new ATOM 0 HA ASP A 40 20.718 -3.754 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.721 -4.995 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.824 -6.020 4.550 1.00 0.00 H new ATOM 601 N LYS A 41 19.131 -5.493 1.549 1.00 0.00 N ATOM 602 CA LYS A 41 19.276 -6.143 0.251 1.00 0.00 C ATOM 603 C LYS A 41 19.688 -5.136 -0.818 1.00 0.00 C ATOM 604 O LYS A 41 20.215 -5.510 -1.865 1.00 0.00 O ATOM 605 CB LYS A 41 17.965 -6.821 -0.151 1.00 0.00 C ATOM 606 CG LYS A 41 17.612 -8.022 0.710 1.00 0.00 C ATOM 607 CD LYS A 41 18.502 -9.213 0.398 1.00 0.00 C ATOM 608 CE LYS A 41 17.990 -9.993 -0.803 1.00 0.00 C ATOM 609 NZ LYS A 41 19.068 -10.795 -1.444 1.00 0.00 N ATOM 0 H LYS A 41 18.166 -5.388 1.862 1.00 0.00 H new ATOM 0 HA LYS A 41 20.058 -6.898 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.156 -6.093 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.034 -7.138 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.712 -7.758 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.569 -8.294 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.518 -8.868 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.550 -9.870 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.183 -10.655 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.569 -9.301 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.679 -11.312 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.827 -10.161 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.452 -11.473 -0.755 1.00 0.00 H new ATOM 623 N ASN A 42 19.447 -3.858 -0.545 1.00 0.00 N ATOM 624 CA ASN A 42 19.795 -2.797 -1.484 1.00 0.00 C ATOM 625 C ASN A 42 20.967 -1.971 -0.962 1.00 0.00 C ATOM 626 O ASN A 42 20.816 -1.114 -0.092 1.00 0.00 O ATOM 627 CB ASN A 42 18.588 -1.890 -1.732 1.00 0.00 C ATOM 628 CG ASN A 42 17.496 -2.584 -2.523 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.660 -2.872 -3.708 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.373 -2.856 -1.868 1.00 0.00 N ATOM 0 H ASN A 42 19.012 -3.532 0.318 1.00 0.00 H new ATOM 0 HA ASN A 42 20.091 -3.262 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.185 -1.557 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.911 -0.998 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.603 -3.322 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.281 -2.599 -0.885 1.00 0.00 H new ATOM 637 N PRO A 43 22.165 -2.234 -1.506 1.00 0.00 N ATOM 638 CA PRO A 43 23.386 -1.526 -1.112 1.00 0.00 C ATOM 639 C PRO A 43 23.386 -0.072 -1.571 1.00 0.00 C ATOM 640 O PRO A 43 23.630 0.840 -0.780 1.00 0.00 O ATOM 641 CB PRO A 43 24.495 -2.310 -1.817 1.00 0.00 C ATOM 642 CG PRO A 43 23.825 -2.943 -2.988 1.00 0.00 C ATOM 643 CD PRO A 43 22.419 -3.243 -2.548 1.00 0.00 C ATOM 0 HA PRO A 43 23.500 -1.482 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.306 -1.653 -2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 43 24.931 -3.060 -1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 43 23.830 -2.275 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.343 -3.854 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.712 -3.155 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.328 -4.256 -2.157 1.00 0.00 H new ATOM 651 N ASP A 44 23.112 0.138 -2.854 1.00 0.00 N ATOM 652 CA ASP A 44 23.079 1.482 -3.419 1.00 0.00 C ATOM 653 C ASP A 44 22.212 2.408 -2.571 1.00 0.00 C ATOM 654 O ASP A 44 22.683 3.427 -2.068 1.00 0.00 O ATOM 655 CB ASP A 44 22.552 1.443 -4.854 1.00 0.00 C ATOM 656 CG ASP A 44 23.627 1.070 -5.856 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.799 1.436 -5.631 1.00 0.00 O ATOM 658 OD2 ASP A 44 23.296 0.412 -6.865 1.00 0.00 O ATOM 0 H ASP A 44 22.910 -0.605 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 44 24.097 1.871 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.735 0.725 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.140 2.418 -5.113 1.00 0.00 H new ATOM 663 N ASN A 45 20.943 2.044 -2.417 1.00 0.00 N ATOM 664 CA ASN A 45 20.010 2.843 -1.630 1.00 0.00 C ATOM 665 C ASN A 45 19.448 2.033 -0.465 1.00 0.00 C ATOM 666 O ASN A 45 18.615 1.147 -0.655 1.00 0.00 O ATOM 667 CB ASN A 45 18.866 3.345 -2.514 1.00 0.00 C ATOM 668 CG ASN A 45 18.030 2.213 -3.078 1.00 0.00 C ATOM 669 OD1 ASN A 45 18.550 1.147 -3.408 1.00 0.00 O ATOM 670 ND2 ASN A 45 16.726 2.439 -3.190 1.00 0.00 N ATOM 0 H ASN A 45 20.537 1.202 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 45 20.553 3.698 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.227 4.010 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.276 3.933 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.113 1.714 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.338 3.338 -2.904 1.00 0.00 H new ATOM 677 N LYS A 46 19.911 2.345 0.741 1.00 0.00 N ATOM 678 CA LYS A 46 19.455 1.649 1.938 1.00 0.00 C ATOM 679 C LYS A 46 18.283 2.384 2.582 1.00 0.00 C ATOM 680 O LYS A 46 17.274 1.773 2.932 1.00 0.00 O ATOM 681 CB LYS A 46 20.601 1.516 2.944 1.00 0.00 C ATOM 682 CG LYS A 46 21.442 0.267 2.746 1.00 0.00 C ATOM 683 CD LYS A 46 22.860 0.463 3.255 1.00 0.00 C ATOM 684 CE LYS A 46 23.561 -0.868 3.478 1.00 0.00 C ATOM 685 NZ LYS A 46 25.032 -0.701 3.635 1.00 0.00 N ATOM 0 H LYS A 46 20.602 3.075 0.915 1.00 0.00 H new ATOM 0 HA LYS A 46 19.120 0.654 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.244 2.393 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.189 1.510 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.980 -0.571 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.467 0.008 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.426 1.058 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.838 1.025 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.153 -1.349 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.359 -1.530 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.473 -1.631 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.426 -0.266 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.227 -0.090 4.453 1.00 0.00 H new ATOM 699 N GLU A 47 18.424 3.697 2.732 1.00 0.00 N ATOM 700 CA GLU A 47 17.376 4.514 3.333 1.00 0.00 C ATOM 701 C GLU A 47 16.095 4.449 2.506 1.00 0.00 C ATOM 702 O GLU A 47 15.062 3.978 2.979 1.00 0.00 O ATOM 703 CB GLU A 47 17.841 5.966 3.462 1.00 0.00 C ATOM 704 CG GLU A 47 16.840 6.865 4.168 1.00 0.00 C ATOM 705 CD GLU A 47 17.503 8.026 4.884 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.167 8.838 4.206 1.00 0.00 O ATOM 707 OE2 GLU A 47 17.358 8.122 6.120 1.00 0.00 O ATOM 0 H GLU A 47 19.253 4.218 2.446 1.00 0.00 H new ATOM 0 HA GLU A 47 17.167 4.118 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.785 5.989 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.037 6.366 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.127 7.251 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.272 6.275 4.888 1.00 0.00 H new ATOM 714 N GLU A 48 16.173 4.928 1.268 1.00 0.00 N ATOM 715 CA GLU A 48 15.019 4.926 0.376 1.00 0.00 C ATOM 716 C GLU A 48 14.224 3.632 0.517 1.00 0.00 C ATOM 717 O GLU A 48 13.038 3.652 0.845 1.00 0.00 O ATOM 718 CB GLU A 48 15.469 5.105 -1.076 1.00 0.00 C ATOM 719 CG GLU A 48 14.340 4.974 -2.084 1.00 0.00 C ATOM 720 CD GLU A 48 13.657 6.298 -2.370 1.00 0.00 C ATOM 721 OE1 GLU A 48 14.368 7.316 -2.503 1.00 0.00 O ATOM 722 OE2 GLU A 48 12.412 6.315 -2.462 1.00 0.00 O ATOM 0 H GLU A 48 17.021 5.322 0.861 1.00 0.00 H new ATOM 0 HA GLU A 48 14.375 5.760 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.931 6.086 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.236 4.365 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.734 4.564 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.604 4.263 -1.709 1.00 0.00 H new ATOM 729 N ALA A 49 14.886 2.507 0.266 1.00 0.00 N ATOM 730 CA ALA A 49 14.243 1.203 0.367 1.00 0.00 C ATOM 731 C ALA A 49 13.502 1.057 1.692 1.00 0.00 C ATOM 732 O ALA A 49 12.365 0.588 1.728 1.00 0.00 O ATOM 733 CB ALA A 49 15.272 0.093 0.210 1.00 0.00 C ATOM 0 H ALA A 49 15.868 2.473 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 49 13.513 1.123 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.777 -0.875 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.753 0.178 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.024 0.180 0.994 1.00 0.00 H new ATOM 739 N GLU A 50 14.154 1.462 2.777 1.00 0.00 N ATOM 740 CA GLU A 50 13.556 1.374 4.104 1.00 0.00 C ATOM 741 C GLU A 50 12.150 1.968 4.107 1.00 0.00 C ATOM 742 O GLU A 50 11.220 1.389 4.671 1.00 0.00 O ATOM 743 CB GLU A 50 14.430 2.097 5.130 1.00 0.00 C ATOM 744 CG GLU A 50 14.275 1.564 6.545 1.00 0.00 C ATOM 745 CD GLU A 50 12.873 1.752 7.090 1.00 0.00 C ATOM 746 OE1 GLU A 50 12.205 2.726 6.684 1.00 0.00 O ATOM 747 OE2 GLU A 50 12.443 0.926 7.921 1.00 0.00 O ATOM 0 H GLU A 50 15.096 1.854 2.763 1.00 0.00 H new ATOM 0 HA GLU A 50 13.487 0.320 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.474 2.010 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.183 3.159 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.527 0.504 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.986 2.069 7.199 1.00 0.00 H new ATOM 754 N LYS A 51 12.002 3.127 3.475 1.00 0.00 N ATOM 755 CA LYS A 51 10.711 3.801 3.403 1.00 0.00 C ATOM 756 C LYS A 51 9.675 2.919 2.715 1.00 0.00 C ATOM 757 O LYS A 51 8.614 2.639 3.273 1.00 0.00 O ATOM 758 CB LYS A 51 10.847 5.128 2.653 1.00 0.00 C ATOM 759 CG LYS A 51 9.526 5.852 2.456 1.00 0.00 C ATOM 760 CD LYS A 51 8.862 5.454 1.149 1.00 0.00 C ATOM 761 CE LYS A 51 9.602 6.027 -0.050 1.00 0.00 C ATOM 762 NZ LYS A 51 9.079 7.368 -0.436 1.00 0.00 N ATOM 0 H LYS A 51 12.761 3.620 3.005 1.00 0.00 H new ATOM 0 HA LYS A 51 10.375 3.999 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.530 5.777 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.298 4.941 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.859 5.626 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.695 6.929 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.830 4.367 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.830 5.805 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.664 6.104 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.509 5.344 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.609 7.724 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.071 7.290 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.191 8.027 0.361 1.00 0.00 H new ATOM 776 N LYS A 52 9.989 2.483 1.500 1.00 0.00 N ATOM 777 CA LYS A 52 9.086 1.631 0.735 1.00 0.00 C ATOM 778 C LYS A 52 8.620 0.443 1.572 1.00 0.00 C ATOM 779 O LYS A 52 7.489 -0.022 1.431 1.00 0.00 O ATOM 780 CB LYS A 52 9.777 1.132 -0.536 1.00 0.00 C ATOM 781 CG LYS A 52 10.033 2.226 -1.558 1.00 0.00 C ATOM 782 CD LYS A 52 8.784 2.538 -2.365 1.00 0.00 C ATOM 783 CE LYS A 52 9.001 3.726 -3.290 1.00 0.00 C ATOM 784 NZ LYS A 52 7.714 4.270 -3.805 1.00 0.00 N ATOM 0 H LYS A 52 10.863 2.706 1.023 1.00 0.00 H new ATOM 0 HA LYS A 52 8.214 2.224 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.726 0.669 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.163 0.356 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.373 3.128 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.834 1.917 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.502 1.665 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.956 2.749 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.538 4.509 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.629 3.424 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.905 5.078 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.213 3.530 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.125 4.582 -3.007 1.00 0.00 H new ATOM 798 N PHE A 53 9.497 -0.041 2.445 1.00 0.00 N ATOM 799 CA PHE A 53 9.175 -1.173 3.305 1.00 0.00 C ATOM 800 C PHE A 53 7.929 -0.886 4.138 1.00 0.00 C ATOM 801 O PHE A 53 7.079 -1.757 4.325 1.00 0.00 O ATOM 802 CB PHE A 53 10.355 -1.494 4.225 1.00 0.00 C ATOM 803 CG PHE A 53 10.163 -2.746 5.032 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.266 -2.775 6.088 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.879 -3.894 4.734 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.087 -3.926 6.832 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.703 -5.048 5.474 1.00 0.00 C ATOM 808 CZ PHE A 53 9.807 -5.064 6.525 1.00 0.00 C ATOM 0 H PHE A 53 10.437 0.333 2.575 1.00 0.00 H new ATOM 0 HA PHE A 53 8.975 -2.035 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.258 -1.594 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.515 -0.656 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.700 -1.888 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.582 -3.887 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.385 -3.936 7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.266 -5.937 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.670 -5.964 7.105 1.00 0.00 H new ATOM 818 N LYS A 54 7.828 0.341 4.636 1.00 0.00 N ATOM 819 CA LYS A 54 6.687 0.746 5.449 1.00 0.00 C ATOM 820 C LYS A 54 5.403 0.743 4.624 1.00 0.00 C ATOM 821 O LYS A 54 4.370 0.241 5.067 1.00 0.00 O ATOM 822 CB LYS A 54 6.923 2.137 6.040 1.00 0.00 C ATOM 823 CG LYS A 54 5.938 2.508 7.135 1.00 0.00 C ATOM 824 CD LYS A 54 6.256 1.791 8.436 1.00 0.00 C ATOM 825 CE LYS A 54 5.759 2.575 9.641 1.00 0.00 C ATOM 826 NZ LYS A 54 6.483 3.866 9.799 1.00 0.00 N ATOM 0 H LYS A 54 8.523 1.073 4.491 1.00 0.00 H new ATOM 0 HA LYS A 54 6.578 0.027 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.935 2.185 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.862 2.877 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.961 3.586 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.927 2.255 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.797 0.802 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.333 1.642 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.692 2.768 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.885 1.975 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.463 4.155 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.470 3.750 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.023 4.595 9.218 1.00 0.00 H new ATOM 840 N LEU A 55 5.476 1.305 3.423 1.00 0.00 N ATOM 841 CA LEU A 55 4.320 1.366 2.535 1.00 0.00 C ATOM 842 C LEU A 55 3.795 -0.033 2.228 1.00 0.00 C ATOM 843 O LEU A 55 2.594 -0.289 2.313 1.00 0.00 O ATOM 844 CB LEU A 55 4.689 2.081 1.234 1.00 0.00 C ATOM 845 CG LEU A 55 4.812 3.603 1.317 1.00 0.00 C ATOM 846 CD1 LEU A 55 5.525 4.148 0.089 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.439 4.242 1.466 1.00 0.00 C ATOM 0 H LEU A 55 6.323 1.725 3.041 1.00 0.00 H new ATOM 0 HA LEU A 55 3.534 1.927 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.637 1.679 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.937 1.838 0.483 1.00 0.00 H new ATOM 0 HG LEU A 55 5.404 3.853 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.604 5.232 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.524 3.715 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.960 3.887 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.546 5.325 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.822 3.984 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.964 3.876 2.376 1.00 0.00 H new ATOM 859 N VAL A 56 4.703 -0.936 1.873 1.00 0.00 N ATOM 860 CA VAL A 56 4.332 -2.310 1.557 1.00 0.00 C ATOM 861 C VAL A 56 3.563 -2.950 2.707 1.00 0.00 C ATOM 862 O VAL A 56 2.530 -3.586 2.498 1.00 0.00 O ATOM 863 CB VAL A 56 5.572 -3.168 1.243 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.182 -4.628 1.070 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.280 -2.647 0.002 1.00 0.00 C ATOM 0 H VAL A 56 5.701 -0.741 1.797 1.00 0.00 H new ATOM 0 HA VAL A 56 3.694 -2.270 0.674 1.00 0.00 H new ATOM 0 HB VAL A 56 6.262 -3.098 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.071 -5.218 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.723 -4.993 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.472 -4.720 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.154 -3.265 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.599 -2.685 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.595 -1.617 0.169 1.00 0.00 H new ATOM 875 N SER A 57 4.073 -2.776 3.922 1.00 0.00 N ATOM 876 CA SER A 57 3.435 -3.340 5.106 1.00 0.00 C ATOM 877 C SER A 57 2.087 -2.675 5.366 1.00 0.00 C ATOM 878 O SER A 57 1.080 -3.350 5.573 1.00 0.00 O ATOM 879 CB SER A 57 4.342 -3.174 6.327 1.00 0.00 C ATOM 880 OG SER A 57 3.838 -3.895 7.438 1.00 0.00 O ATOM 0 H SER A 57 4.926 -2.249 4.112 1.00 0.00 H new ATOM 0 HA SER A 57 3.268 -4.402 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.346 -3.523 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.424 -2.117 6.582 1.00 0.00 H new ATOM 0 HG SER A 57 2.995 -3.493 7.734 1.00 0.00 H new ATOM 886 N GLU A 58 2.078 -1.345 5.352 1.00 0.00 N ATOM 887 CA GLU A 58 0.854 -0.588 5.587 1.00 0.00 C ATOM 888 C GLU A 58 -0.219 -0.958 4.567 1.00 0.00 C ATOM 889 O GLU A 58 -1.298 -1.427 4.927 1.00 0.00 O ATOM 890 CB GLU A 58 1.137 0.914 5.524 1.00 0.00 C ATOM 891 CG GLU A 58 0.037 1.767 6.134 1.00 0.00 C ATOM 892 CD GLU A 58 0.220 1.976 7.624 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.382 2.074 8.072 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.799 2.043 8.343 1.00 0.00 O ATOM 0 H GLU A 58 2.903 -0.771 5.181 1.00 0.00 H new ATOM 0 HA GLU A 58 0.487 -0.840 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.074 1.121 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.276 1.206 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.015 2.736 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.928 1.293 5.953 1.00 0.00 H new ATOM 901 N ALA A 59 0.087 -0.744 3.291 1.00 0.00 N ATOM 902 CA ALA A 59 -0.849 -1.056 2.218 1.00 0.00 C ATOM 903 C ALA A 59 -1.277 -2.519 2.271 1.00 0.00 C ATOM 904 O ALA A 59 -2.446 -2.842 2.060 1.00 0.00 O ATOM 905 CB ALA A 59 -0.229 -0.734 0.867 1.00 0.00 C ATOM 0 H ALA A 59 0.976 -0.356 2.976 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.738 -0.440 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.939 -0.972 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.020 0.326 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.677 -1.325 0.732 1.00 0.00 H new ATOM 911 N TYR A 60 -0.324 -3.399 2.553 1.00 0.00 N ATOM 912 CA TYR A 60 -0.602 -4.828 2.631 1.00 0.00 C ATOM 913 C TYR A 60 -1.663 -5.121 3.687 1.00 0.00 C ATOM 914 O TYR A 60 -2.559 -5.936 3.472 1.00 0.00 O ATOM 915 CB TYR A 60 0.679 -5.602 2.951 1.00 0.00 C ATOM 916 CG TYR A 60 0.429 -6.943 3.603 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.541 -7.807 3.110 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.162 -7.345 4.712 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.773 -9.033 3.703 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.938 -8.570 5.311 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.031 -9.410 4.803 1.00 0.00 C ATOM 922 OH TYR A 60 -0.258 -10.630 5.397 1.00 0.00 O ATOM 0 H TYR A 60 0.648 -3.148 2.732 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.982 -5.151 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.241 -5.755 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.304 -4.998 3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.123 -7.515 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.920 -6.689 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.531 -9.693 3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.518 -8.868 6.172 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.198 -10.881 5.280 1.00 0.00 H new ATOM 932 N GLU A 61 -1.554 -4.448 4.828 1.00 0.00 N ATOM 933 CA GLU A 61 -2.504 -4.635 5.918 1.00 0.00 C ATOM 934 C GLU A 61 -3.846 -3.989 5.587 1.00 0.00 C ATOM 935 O GLU A 61 -4.895 -4.627 5.679 1.00 0.00 O ATOM 936 CB GLU A 61 -1.948 -4.046 7.216 1.00 0.00 C ATOM 937 CG GLU A 61 -0.666 -4.712 7.687 1.00 0.00 C ATOM 938 CD GLU A 61 0.024 -3.935 8.791 1.00 0.00 C ATOM 939 OE1 GLU A 61 -0.452 -3.995 9.944 1.00 0.00 O ATOM 940 OE2 GLU A 61 1.039 -3.268 8.503 1.00 0.00 O ATOM 0 H GLU A 61 -0.818 -3.769 5.021 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.659 -5.706 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.763 -2.982 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.702 -4.135 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.893 -5.717 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.015 -4.819 6.843 1.00 0.00 H new ATOM 947 N VAL A 62 -3.805 -2.717 5.203 1.00 0.00 N ATOM 948 CA VAL A 62 -5.017 -1.983 4.858 1.00 0.00 C ATOM 949 C VAL A 62 -5.870 -2.766 3.866 1.00 0.00 C ATOM 950 O VAL A 62 -7.090 -2.851 4.012 1.00 0.00 O ATOM 951 CB VAL A 62 -4.685 -0.604 4.257 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.914 -0.001 3.594 1.00 0.00 C ATOM 953 CG2 VAL A 62 -4.137 0.326 5.328 1.00 0.00 C ATOM 0 H VAL A 62 -2.946 -2.173 5.123 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.577 -1.843 5.783 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.917 -0.735 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.661 0.973 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.258 -0.660 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.706 0.117 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.908 1.295 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.881 0.453 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.229 -0.103 5.752 1.00 0.00 H new ATOM 963 N LEU A 63 -5.220 -3.337 2.858 1.00 0.00 N ATOM 964 CA LEU A 63 -5.919 -4.115 1.841 1.00 0.00 C ATOM 965 C LEU A 63 -6.307 -5.489 2.377 1.00 0.00 C ATOM 966 O LEU A 63 -7.444 -5.933 2.212 1.00 0.00 O ATOM 967 CB LEU A 63 -5.042 -4.270 0.597 1.00 0.00 C ATOM 968 CG LEU A 63 -4.567 -2.971 -0.055 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.516 -3.259 -1.116 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.742 -2.215 -0.657 1.00 0.00 C ATOM 0 H LEU A 63 -4.211 -3.276 2.723 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.830 -3.580 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.166 -4.860 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.597 -4.844 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.115 -2.346 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.190 -2.323 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.662 -3.756 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.942 -3.905 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.385 -1.293 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.224 -2.834 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.460 -1.975 0.127 1.00 0.00 H new ATOM 982 N SER A 64 -5.357 -6.157 3.022 1.00 0.00 N ATOM 983 CA SER A 64 -5.598 -7.482 3.582 1.00 0.00 C ATOM 984 C SER A 64 -6.923 -7.519 4.337 1.00 0.00 C ATOM 985 O SER A 64 -7.645 -8.516 4.298 1.00 0.00 O ATOM 986 CB SER A 64 -4.454 -7.880 4.517 1.00 0.00 C ATOM 987 OG SER A 64 -3.434 -8.565 3.811 1.00 0.00 O ATOM 0 H SER A 64 -4.412 -5.802 3.170 1.00 0.00 H new ATOM 0 HA SER A 64 -5.649 -8.194 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.039 -6.989 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.837 -8.515 5.316 1.00 0.00 H new ATOM 0 HG SER A 64 -2.609 -8.037 3.834 1.00 0.00 H new ATOM 993 N ASP A 65 -7.236 -6.425 5.024 1.00 0.00 N ATOM 994 CA ASP A 65 -8.475 -6.331 5.788 1.00 0.00 C ATOM 995 C ASP A 65 -9.665 -6.082 4.866 1.00 0.00 C ATOM 996 O ASP A 65 -9.499 -5.640 3.728 1.00 0.00 O ATOM 997 CB ASP A 65 -8.375 -5.212 6.825 1.00 0.00 C ATOM 998 CG ASP A 65 -7.840 -5.702 8.156 1.00 0.00 C ATOM 999 OD1 ASP A 65 -6.701 -6.214 8.186 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.560 -5.574 9.168 1.00 0.00 O ATOM 0 H ASP A 65 -6.649 -5.592 5.067 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.629 -7.280 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.725 -4.424 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.360 -4.769 6.973 1.00 0.00 H new ATOM 1005 N SER A 66 -10.863 -6.368 5.364 1.00 0.00 N ATOM 1006 CA SER A 66 -12.080 -6.180 4.583 1.00 0.00 C ATOM 1007 C SER A 66 -12.701 -4.815 4.864 1.00 0.00 C ATOM 1008 O SER A 66 -13.057 -4.079 3.944 1.00 0.00 O ATOM 1009 CB SER A 66 -13.090 -7.286 4.898 1.00 0.00 C ATOM 1010 OG SER A 66 -14.173 -7.263 3.984 1.00 0.00 O ATOM 0 H SER A 66 -11.017 -6.731 6.305 1.00 0.00 H new ATOM 0 HA SER A 66 -11.815 -6.229 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.596 -8.257 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.465 -7.162 5.914 1.00 0.00 H new ATOM 0 HG SER A 66 -14.803 -7.980 4.206 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.826 -4.482 6.145 1.00 0.00 N ATOM 1017 CA LYS A 67 -13.402 -3.205 6.551 1.00 0.00 C ATOM 1018 C LYS A 67 -12.461 -2.053 6.215 1.00 0.00 C ATOM 1019 O LYS A 67 -12.890 -1.012 5.718 1.00 0.00 O ATOM 1020 CB LYS A 67 -13.702 -3.212 8.051 1.00 0.00 C ATOM 1021 CG LYS A 67 -12.484 -3.492 8.914 1.00 0.00 C ATOM 1022 CD LYS A 67 -12.771 -3.237 10.384 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.494 -2.950 11.160 1.00 0.00 C ATOM 1024 NZ LYS A 67 -10.885 -4.194 11.705 1.00 0.00 N ATOM 0 H LYS A 67 -12.536 -5.079 6.920 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.333 -3.063 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.123 -2.247 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.463 -3.964 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.171 -4.527 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.655 -2.863 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.454 -2.393 10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.272 -4.104 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.777 -2.450 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.713 -2.264 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.017 -3.956 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.559 -4.658 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.653 -4.838 10.922 1.00 0.00 H new ATOM 1038 N LYS A 68 -11.175 -2.246 6.489 1.00 0.00 N ATOM 1039 CA LYS A 68 -10.172 -1.224 6.213 1.00 0.00 C ATOM 1040 C LYS A 68 -10.060 -0.961 4.715 1.00 0.00 C ATOM 1041 O LYS A 68 -10.028 0.189 4.278 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.812 -1.653 6.769 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.629 -1.332 8.243 1.00 0.00 C ATOM 1044 CD LYS A 68 -7.188 -1.530 8.681 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.306 -0.374 8.235 1.00 0.00 C ATOM 1046 NZ LYS A 68 -6.513 0.838 9.075 1.00 0.00 N ATOM 0 H LYS A 68 -10.803 -3.101 6.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.485 -0.302 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.691 -2.726 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.024 -1.162 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.930 -0.301 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.282 -1.969 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.146 -1.623 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.805 -2.462 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.260 -0.676 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.520 -0.135 7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.792 1.550 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.459 1.230 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.433 0.582 10.080 1.00 0.00 H new ATOM 1060 N ARG A 69 -10.003 -2.034 3.933 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.895 -1.918 2.484 1.00 0.00 C ATOM 1062 C ARG A 69 -11.082 -1.149 1.910 1.00 0.00 C ATOM 1063 O ARG A 69 -10.915 -0.277 1.058 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.817 -3.306 1.844 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.439 -3.278 0.372 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.190 -4.678 -0.166 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.191 -4.686 -1.231 1.00 0.00 N ATOM 1068 CZ ARG A 69 -7.777 -5.790 -1.842 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -8.273 -6.969 -1.496 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -6.864 -5.716 -2.802 1.00 0.00 N ATOM 0 H ARG A 69 -10.030 -2.993 4.279 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.982 -1.368 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.087 -3.906 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.782 -3.802 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.236 -2.804 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.544 -2.671 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.859 -5.325 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.125 -5.093 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.789 -3.795 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.975 -7.030 -0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.953 -7.815 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.479 -4.810 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.547 -6.565 -3.271 1.00 0.00 H new ATOM 1084 N SER A 70 -12.279 -1.479 2.383 1.00 0.00 N ATOM 1085 CA SER A 70 -13.494 -0.823 1.915 1.00 0.00 C ATOM 1086 C SER A 70 -13.484 0.660 2.275 1.00 0.00 C ATOM 1087 O SER A 70 -14.018 1.493 1.541 1.00 0.00 O ATOM 1088 CB SER A 70 -14.728 -1.497 2.517 1.00 0.00 C ATOM 1089 OG SER A 70 -15.920 -0.981 1.949 1.00 0.00 O ATOM 0 H SER A 70 -12.434 -2.197 3.091 1.00 0.00 H new ATOM 0 HA SER A 70 -13.532 -0.916 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.677 -2.573 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.740 -1.344 3.596 1.00 0.00 H new ATOM 0 HG SER A 70 -16.694 -1.429 2.350 1.00 0.00 H new ATOM 1095 N LEU A 71 -12.872 0.983 3.409 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.791 2.365 3.868 1.00 0.00 C ATOM 1097 C LEU A 71 -11.783 3.155 3.041 1.00 0.00 C ATOM 1098 O LEU A 71 -12.086 4.241 2.546 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.401 2.410 5.347 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.521 2.118 6.346 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.946 1.835 7.725 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.501 3.281 6.403 1.00 0.00 C ATOM 0 H LEU A 71 -12.425 0.306 4.028 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.773 2.821 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.598 1.692 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.995 3.398 5.565 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.059 1.231 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.758 1.629 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.285 0.970 7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.383 2.702 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.291 3.056 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.976 4.184 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.938 3.437 5.417 1.00 0.00 H new ATOM 1114 N TYR A 72 -10.585 2.603 2.892 1.00 0.00 N ATOM 1115 CA TYR A 72 -9.531 3.256 2.124 1.00 0.00 C ATOM 1116 C TYR A 72 -10.022 3.617 0.725 1.00 0.00 C ATOM 1117 O TYR A 72 -9.678 4.670 0.187 1.00 0.00 O ATOM 1118 CB TYR A 72 -8.304 2.349 2.028 1.00 0.00 C ATOM 1119 CG TYR A 72 -7.322 2.769 0.957 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -6.498 3.873 1.137 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.219 2.062 -0.235 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -5.600 4.261 0.162 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.324 2.442 -1.215 1.00 0.00 C ATOM 1124 CZ TYR A 72 -5.517 3.543 -1.013 1.00 0.00 C ATOM 1125 OH TYR A 72 -4.623 3.925 -1.987 1.00 0.00 O ATOM 0 H TYR A 72 -10.319 1.704 3.293 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.255 4.175 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.795 2.338 2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.632 1.329 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.561 4.438 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.850 1.201 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.966 5.122 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.256 1.880 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.708 3.782 -1.666 1.00 0.00 H new ATOM 1135 N ASP A 73 -10.827 2.736 0.142 1.00 0.00 N ATOM 1136 CA ASP A 73 -11.367 2.961 -1.194 1.00 0.00 C ATOM 1137 C ASP A 73 -12.335 4.140 -1.197 1.00 0.00 C ATOM 1138 O ASP A 73 -12.137 5.116 -1.921 1.00 0.00 O ATOM 1139 CB ASP A 73 -12.074 1.703 -1.700 1.00 0.00 C ATOM 1140 CG ASP A 73 -12.807 1.936 -3.006 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -12.154 2.349 -3.988 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -14.034 1.706 -3.047 1.00 0.00 O ATOM 0 H ASP A 73 -11.120 1.859 0.573 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.537 3.194 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.341 0.908 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.782 1.359 -0.946 1.00 0.00 H new ATOM 1147 N ARG A 74 -13.383 4.041 -0.385 1.00 0.00 N ATOM 1148 CA ARG A 74 -14.383 5.098 -0.296 1.00 0.00 C ATOM 1149 C ARG A 74 -13.746 6.413 0.144 1.00 0.00 C ATOM 1150 O ARG A 74 -14.211 7.492 -0.222 1.00 0.00 O ATOM 1151 CB ARG A 74 -15.489 4.701 0.683 1.00 0.00 C ATOM 1152 CG ARG A 74 -14.976 4.338 2.067 1.00 0.00 C ATOM 1153 CD ARG A 74 -16.046 3.643 2.893 1.00 0.00 C ATOM 1154 NE ARG A 74 -17.253 4.455 3.020 1.00 0.00 N ATOM 1155 CZ ARG A 74 -18.377 4.020 3.578 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -18.448 2.786 4.058 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -19.433 4.819 3.657 1.00 0.00 N ATOM 0 H ARG A 74 -13.561 3.240 0.220 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.817 5.238 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.197 5.525 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.037 3.852 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.106 3.687 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.646 5.240 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.298 2.689 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.652 3.422 3.885 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.232 5.409 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.638 2.169 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.312 2.454 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.382 5.769 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.295 4.483 4.086 1.00 0.00 H new ATOM 1171 N ALA A 75 -12.681 6.314 0.932 1.00 0.00 N ATOM 1172 CA ALA A 75 -11.980 7.495 1.421 1.00 0.00 C ATOM 1173 C ALA A 75 -10.939 7.972 0.413 1.00 0.00 C ATOM 1174 O ALA A 75 -10.048 8.751 0.748 1.00 0.00 O ATOM 1175 CB ALA A 75 -11.324 7.202 2.762 1.00 0.00 C ATOM 0 H ALA A 75 -12.284 5.428 1.246 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.711 8.292 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.804 8.093 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.087 6.916 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.610 6.387 2.647 1.00 0.00 H new ATOM 1181 N GLY A 76 -11.058 7.498 -0.823 1.00 0.00 N ATOM 1182 CA GLY A 76 -10.120 7.886 -1.860 1.00 0.00 C ATOM 1183 C GLY A 76 -10.390 9.279 -2.394 1.00 0.00 C ATOM 1184 O GLY A 76 -11.189 9.455 -3.315 1.00 0.00 O ATOM 0 H GLY A 76 -11.787 6.852 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.106 7.843 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.172 7.169 -2.680 1.00 0.00 H new ATOM 1188 N CYS A 77 -9.725 10.272 -1.814 1.00 0.00 N ATOM 1189 CA CYS A 77 -9.899 11.658 -2.236 1.00 0.00 C ATOM 1190 C CYS A 77 -9.146 11.930 -3.534 1.00 0.00 C ATOM 1191 O CYS A 77 -8.268 11.162 -3.927 1.00 0.00 O ATOM 1192 CB CYS A 77 -9.414 12.610 -1.142 1.00 0.00 C ATOM 1193 SG CYS A 77 -10.252 14.212 -1.133 1.00 0.00 S ATOM 0 H CYS A 77 -9.061 10.144 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.961 11.828 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.554 12.133 -0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.343 12.773 -1.265 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.775 14.946 -0.172 1.00 0.00 H new ATOM 1199 N ASP A 78 -9.497 13.026 -4.197 1.00 0.00 N ATOM 1200 CA ASP A 78 -8.855 13.400 -5.452 1.00 0.00 C ATOM 1201 C ASP A 78 -7.596 14.221 -5.195 1.00 0.00 C ATOM 1202 O ASP A 78 -7.446 14.832 -4.136 1.00 0.00 O ATOM 1203 CB ASP A 78 -9.826 14.192 -6.329 1.00 0.00 C ATOM 1204 CG ASP A 78 -9.497 14.077 -7.805 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -8.844 13.085 -8.192 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -9.894 14.978 -8.573 1.00 0.00 O ATOM 0 H ASP A 78 -10.223 13.672 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.570 12.486 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.841 13.834 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.804 15.241 -6.035 1.00 0.00 H new ATOM 1211 N SER A 79 -6.692 14.231 -6.169 1.00 0.00 N ATOM 1212 CA SER A 79 -5.443 14.973 -6.047 1.00 0.00 C ATOM 1213 C SER A 79 -5.613 16.407 -6.539 1.00 0.00 C ATOM 1214 O SER A 79 -6.284 16.656 -7.540 1.00 0.00 O ATOM 1215 CB SER A 79 -4.333 14.279 -6.838 1.00 0.00 C ATOM 1216 OG SER A 79 -3.700 13.279 -6.058 1.00 0.00 O ATOM 0 H SER A 79 -6.801 13.733 -7.052 1.00 0.00 H new ATOM 0 HA SER A 79 -5.166 14.999 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.750 13.831 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.596 15.015 -7.159 1.00 0.00 H new ATOM 0 HG SER A 79 -2.996 12.849 -6.586 1.00 0.00 H new ATOM 1222 N TRP A 80 -5.000 17.346 -5.827 1.00 0.00 N ATOM 1223 CA TRP A 80 -5.083 18.757 -6.191 1.00 0.00 C ATOM 1224 C TRP A 80 -3.715 19.297 -6.592 1.00 0.00 C ATOM 1225 O TRP A 80 -2.855 19.529 -5.741 1.00 0.00 O ATOM 1226 CB TRP A 80 -5.646 19.572 -5.026 1.00 0.00 C ATOM 1227 CG TRP A 80 -7.143 19.634 -5.013 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -7.993 18.781 -4.369 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -7.967 20.600 -5.675 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -9.296 19.158 -4.591 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -9.307 20.271 -5.389 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -7.704 21.711 -6.481 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -10.376 21.014 -5.881 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -8.766 22.447 -6.969 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -10.089 22.097 -6.667 1.00 0.00 C ATOM 0 H TRP A 80 -4.441 17.157 -4.995 1.00 0.00 H new ATOM 0 HA TRP A 80 -5.753 18.848 -7.046 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -5.299 19.139 -4.088 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -5.248 20.586 -5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -7.686 17.934 -3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.121 18.685 -4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.688 21.989 -6.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -11.396 20.745 -5.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.574 23.307 -7.594 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.898 22.694 -7.062 1.00 0.00 H new ATOM 1246 N ARG A 81 -3.519 19.495 -7.891 1.00 0.00 N ATOM 1247 CA ARG A 81 -2.254 20.007 -8.404 1.00 0.00 C ATOM 1248 C ARG A 81 -2.473 21.275 -9.224 1.00 0.00 C ATOM 1249 O ARG A 81 -3.205 21.268 -10.213 1.00 0.00 O ATOM 1250 CB ARG A 81 -1.560 18.947 -9.261 1.00 0.00 C ATOM 1251 CG ARG A 81 -0.801 17.910 -8.449 1.00 0.00 C ATOM 1252 CD ARG A 81 0.318 17.277 -9.262 1.00 0.00 C ATOM 1253 NE ARG A 81 0.710 15.973 -8.732 1.00 0.00 N ATOM 1254 CZ ARG A 81 0.093 14.838 -9.042 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -0.938 14.847 -9.876 1.00 0.00 N ATOM 1256 NH2 ARG A 81 0.508 13.692 -8.519 1.00 0.00 N ATOM 0 H ARG A 81 -4.220 19.309 -8.608 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.618 20.250 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.306 18.441 -9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.868 19.440 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.385 18.378 -7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.490 17.136 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.005 17.165 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.182 17.941 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 81 1.501 15.932 -8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.259 15.727 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.410 13.974 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.301 13.682 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.034 12.821 -8.758 1.00 0.00 H new ATOM 1270 N ALA A 82 -1.834 22.362 -8.804 1.00 0.00 N ATOM 1271 CA ALA A 82 -1.958 23.637 -9.500 1.00 0.00 C ATOM 1272 C ALA A 82 -0.842 24.595 -9.094 1.00 0.00 C ATOM 1273 O ALA A 82 -0.195 24.408 -8.065 1.00 0.00 O ATOM 1274 CB ALA A 82 -3.318 24.260 -9.222 1.00 0.00 C ATOM 0 H ALA A 82 -1.226 22.385 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.869 23.449 -10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.397 25.211 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.104 23.588 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.429 24.427 -8.151 1.00 0.00 H new ATOM 1280 N GLY A 83 -0.623 25.621 -9.911 1.00 0.00 N ATOM 1281 CA GLY A 83 0.416 26.591 -9.620 1.00 0.00 C ATOM 1282 C GLY A 83 1.632 25.962 -8.970 1.00 0.00 C ATOM 1283 O GLY A 83 2.102 24.911 -9.403 1.00 0.00 O ATOM 0 H GLY A 83 -1.146 25.797 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.717 27.085 -10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.015 27.362 -8.962 1.00 0.00 H new ATOM 1287 N GLY A 84 2.145 26.608 -7.927 1.00 0.00 N ATOM 1288 CA GLY A 84 3.310 26.091 -7.234 1.00 0.00 C ATOM 1289 C GLY A 84 3.056 24.738 -6.601 1.00 0.00 C ATOM 1290 O GLY A 84 1.915 24.282 -6.532 1.00 0.00 O ATOM 0 H GLY A 84 1.774 27.480 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.140 26.010 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.613 26.798 -6.462 1.00 0.00 H new ATOM 1294 N GLY A 85 4.122 24.093 -6.137 1.00 0.00 N ATOM 1295 CA GLY A 85 3.987 22.789 -5.514 1.00 0.00 C ATOM 1296 C GLY A 85 4.699 21.699 -6.290 1.00 0.00 C ATOM 1297 O GLY A 85 5.798 21.909 -6.802 1.00 0.00 O ATOM 0 H GLY A 85 5.076 24.450 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.388 22.830 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.930 22.538 -5.429 1.00 0.00 H new ATOM 1301 N ALA A 86 4.072 20.531 -6.377 1.00 0.00 N ATOM 1302 CA ALA A 86 4.652 19.404 -7.097 1.00 0.00 C ATOM 1303 C ALA A 86 5.928 18.917 -6.418 1.00 0.00 C ATOM 1304 O ALA A 86 6.897 18.554 -7.085 1.00 0.00 O ATOM 1305 CB ALA A 86 4.934 19.789 -8.542 1.00 0.00 C ATOM 0 H ALA A 86 3.162 20.340 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 86 3.931 18.587 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.367 18.938 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.004 20.081 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.634 20.624 -8.566 1.00 0.00 H new ATOM 1311 N SER A 87 5.922 18.914 -5.089 1.00 0.00 N ATOM 1312 CA SER A 87 7.081 18.477 -4.321 1.00 0.00 C ATOM 1313 C SER A 87 6.683 17.431 -3.284 1.00 0.00 C ATOM 1314 O SER A 87 5.912 17.712 -2.367 1.00 0.00 O ATOM 1315 CB SER A 87 7.741 19.671 -3.629 1.00 0.00 C ATOM 1316 OG SER A 87 6.862 20.267 -2.690 1.00 0.00 O ATOM 0 H SER A 87 5.127 19.209 -4.522 1.00 0.00 H new ATOM 0 HA SER A 87 7.794 18.026 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.651 19.345 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.037 20.409 -4.374 1.00 0.00 H new ATOM 0 HG SER A 87 6.302 19.575 -2.281 1.00 0.00 H new ATOM 1322 N GLY A 88 7.215 16.222 -3.437 1.00 0.00 N ATOM 1323 CA GLY A 88 6.903 15.152 -2.508 1.00 0.00 C ATOM 1324 C GLY A 88 8.051 14.850 -1.565 1.00 0.00 C ATOM 1325 O GLY A 88 8.921 15.687 -1.324 1.00 0.00 O ATOM 0 H GLY A 88 7.856 15.965 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.022 15.425 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.650 14.251 -3.067 1.00 0.00 H new ATOM 1329 N PRO A 89 8.063 13.628 -1.012 1.00 0.00 N ATOM 1330 CA PRO A 89 9.106 13.190 -0.080 1.00 0.00 C ATOM 1331 C PRO A 89 10.454 12.999 -0.768 1.00 0.00 C ATOM 1332 O PRO A 89 11.486 12.879 -0.109 1.00 0.00 O ATOM 1333 CB PRO A 89 8.577 11.852 0.442 1.00 0.00 C ATOM 1334 CG PRO A 89 7.674 11.356 -0.634 1.00 0.00 C ATOM 1335 CD PRO A 89 7.058 12.579 -1.254 1.00 0.00 C ATOM 0 HA PRO A 89 9.288 13.926 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.390 11.151 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.040 11.978 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.229 10.780 -1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.907 10.697 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.872 12.439 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.102 12.825 -0.793 1.00 0.00 H new ATOM 1343 N SER A 90 10.436 12.971 -2.097 1.00 0.00 N ATOM 1344 CA SER A 90 11.657 12.791 -2.874 1.00 0.00 C ATOM 1345 C SER A 90 12.439 14.098 -2.968 1.00 0.00 C ATOM 1346 O SER A 90 11.963 15.079 -3.538 1.00 0.00 O ATOM 1347 CB SER A 90 11.323 12.281 -4.277 1.00 0.00 C ATOM 1348 OG SER A 90 12.502 11.994 -5.009 1.00 0.00 O ATOM 0 H SER A 90 9.590 13.071 -2.658 1.00 0.00 H new ATOM 0 HA SER A 90 12.277 12.053 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.709 11.384 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.734 13.028 -4.808 1.00 0.00 H new ATOM 0 HG SER A 90 12.262 11.668 -5.901 1.00 0.00 H new ATOM 1354 N SER A 91 13.643 14.101 -2.405 1.00 0.00 N ATOM 1355 CA SER A 91 14.491 15.288 -2.422 1.00 0.00 C ATOM 1356 C SER A 91 15.129 15.481 -3.794 1.00 0.00 C ATOM 1357 O SER A 91 15.100 16.575 -4.356 1.00 0.00 O ATOM 1358 CB SER A 91 15.579 15.177 -1.352 1.00 0.00 C ATOM 1359 OG SER A 91 15.055 15.440 -0.062 1.00 0.00 O ATOM 0 H SER A 91 14.053 13.296 -1.932 1.00 0.00 H new ATOM 0 HA SER A 91 13.866 16.155 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.015 14.178 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.382 15.880 -1.572 1.00 0.00 H new ATOM 0 HG SER A 91 15.770 15.361 0.604 1.00 0.00 H new ATOM 1365 N GLY A 92 15.705 14.408 -4.329 1.00 0.00 N ATOM 1366 CA GLY A 92 16.342 14.479 -5.631 1.00 0.00 C ATOM 1367 C GLY A 92 17.407 15.555 -5.697 1.00 0.00 C ATOM 1368 O GLY A 92 18.601 15.261 -5.646 1.00 0.00 O ATOM 0 H GLY A 92 15.742 13.491 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.790 13.514 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.586 14.673 -6.392 1.00 0.00 H new TER 1372 GLY A 92