USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1022 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 87 ASN : amide:sc= -1.38 K(o=-5.2,f=-3.5) USER MOD Set 1.2: A 113 GLN : amide:sc= -3.8 X(o=-5.2,f=-5.3!) USER MOD Set 2.1: A 45 THR OG1 : rot 161:sc= 0.661 USER MOD Set 2.2: A 60 GLN : amide:sc= 1.5 K(o=2.8,f=1.3) USER MOD Set 2.3: A 78 THR OG1 : rot 180:sc= 0.627 USER MOD Set 3.1: A 76 HIS : no HD1:sc= 0.0491 K(o=0.48,f=-0.99!) USER MOD Set 3.2: A 77 THR OG1 : rot -160:sc= 0.429 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.509 USER MOD Single : A 5 SER OG : rot -55:sc= 0.11 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 137:sc= -3.12 (180deg=-5.47!) USER MOD Single : A 16 ASN : amide:sc= -2.04 K(o=-2,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0.371 (180deg=0.325) USER MOD Single : A 22 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.3!) USER MOD Single : A 24 SER OG : rot 10:sc= 0.225! USER MOD Single : A 25 TYR OH : rot -15:sc= -1.38 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -0.324 (180deg=-0.349) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-1.7) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -122:sc= -0.707 (180deg=-2.03!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 80:sc= 0.561 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.73 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0856 K(o=-0.086,f=-0.92) USER MOD Single : A 94 CYS SG : rot 59:sc= -1.39 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00492 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 109:sc= -4.13! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.478 1.697 -3.389 1.00 0.00 N ATOM 2 CA GLY A 1 -33.267 2.196 -4.014 1.00 0.00 C ATOM 3 C GLY A 1 -32.908 1.432 -5.273 1.00 0.00 C ATOM 4 O GLY A 1 -33.465 1.684 -6.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.681 2.252 -2.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.273 1.784 -4.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.349 0.698 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.395 3.251 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.442 2.130 -3.305 1.00 0.00 H new ATOM 8 N SER A 2 -31.972 0.495 -5.148 1.00 0.00 N ATOM 9 CA SER A 2 -31.535 -0.305 -6.286 1.00 0.00 C ATOM 10 C SER A 2 -30.807 -1.562 -5.819 1.00 0.00 C ATOM 11 O SER A 2 -30.011 -1.519 -4.882 1.00 0.00 O ATOM 12 CB SER A 2 -30.621 0.520 -7.195 1.00 0.00 C ATOM 13 OG SER A 2 -29.399 0.826 -6.546 1.00 0.00 O ATOM 0 H SER A 2 -31.502 0.272 -4.270 1.00 0.00 H new ATOM 0 HA SER A 2 -32.419 -0.606 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.421 -0.033 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.125 1.443 -7.482 1.00 0.00 H new ATOM 0 HG SER A 2 -28.832 1.352 -7.148 1.00 0.00 H new ATOM 19 N SER A 3 -31.088 -2.680 -6.480 1.00 0.00 N ATOM 20 CA SER A 3 -30.464 -3.951 -6.131 1.00 0.00 C ATOM 21 C SER A 3 -29.896 -4.636 -7.371 1.00 0.00 C ATOM 22 O SER A 3 -30.637 -5.024 -8.273 1.00 0.00 O ATOM 23 CB SER A 3 -31.477 -4.870 -5.446 1.00 0.00 C ATOM 24 OG SER A 3 -32.593 -5.115 -6.285 1.00 0.00 O ATOM 0 H SER A 3 -31.743 -2.732 -7.260 1.00 0.00 H new ATOM 0 HA SER A 3 -29.645 -3.748 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.999 -5.815 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.812 -4.416 -4.513 1.00 0.00 H new ATOM 0 HG SER A 3 -32.293 -5.193 -7.215 1.00 0.00 H new ATOM 30 N GLY A 4 -28.575 -4.781 -7.407 1.00 0.00 N ATOM 31 CA GLY A 4 -27.929 -5.419 -8.539 1.00 0.00 C ATOM 32 C GLY A 4 -27.491 -4.422 -9.593 1.00 0.00 C ATOM 33 O GLY A 4 -27.924 -3.269 -9.586 1.00 0.00 O ATOM 0 H GLY A 4 -27.941 -4.468 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.061 -5.979 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.614 -6.139 -8.986 1.00 0.00 H new ATOM 37 N SER A 5 -26.628 -4.865 -10.502 1.00 0.00 N ATOM 38 CA SER A 5 -26.127 -4.001 -11.565 1.00 0.00 C ATOM 39 C SER A 5 -25.554 -2.709 -10.990 1.00 0.00 C ATOM 40 O SER A 5 -25.816 -1.620 -11.501 1.00 0.00 O ATOM 41 CB SER A 5 -27.244 -3.679 -12.559 1.00 0.00 C ATOM 42 OG SER A 5 -26.718 -3.147 -13.763 1.00 0.00 O ATOM 0 H SER A 5 -26.261 -5.817 -10.524 1.00 0.00 H new ATOM 0 HA SER A 5 -25.330 -4.532 -12.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.814 -4.583 -12.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.936 -2.964 -12.114 1.00 0.00 H new ATOM 0 HG SER A 5 -26.159 -2.368 -13.560 1.00 0.00 H new ATOM 48 N SER A 6 -24.771 -2.839 -9.924 1.00 0.00 N ATOM 49 CA SER A 6 -24.163 -1.683 -9.277 1.00 0.00 C ATOM 50 C SER A 6 -23.034 -1.113 -10.129 1.00 0.00 C ATOM 51 O SER A 6 -22.715 -1.644 -11.192 1.00 0.00 O ATOM 52 CB SER A 6 -23.631 -2.067 -7.895 1.00 0.00 C ATOM 53 OG SER A 6 -24.668 -2.064 -6.930 1.00 0.00 O ATOM 0 H SER A 6 -24.543 -3.734 -9.490 1.00 0.00 H new ATOM 0 HA SER A 6 -24.930 -0.917 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.175 -3.056 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.850 -1.368 -7.596 1.00 0.00 H new ATOM 0 HG SER A 6 -24.302 -2.314 -6.056 1.00 0.00 H new ATOM 59 N GLY A 7 -22.431 -0.027 -9.654 1.00 0.00 N ATOM 60 CA GLY A 7 -21.344 0.597 -10.385 1.00 0.00 C ATOM 61 C GLY A 7 -19.983 0.129 -9.911 1.00 0.00 C ATOM 62 O GLY A 7 -19.579 -1.003 -10.178 1.00 0.00 O ATOM 0 H GLY A 7 -22.676 0.431 -8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.451 0.377 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.411 1.679 -10.276 1.00 0.00 H new ATOM 66 N VAL A 8 -19.271 1.002 -9.205 1.00 0.00 N ATOM 67 CA VAL A 8 -17.946 0.673 -8.693 1.00 0.00 C ATOM 68 C VAL A 8 -17.986 -0.591 -7.840 1.00 0.00 C ATOM 69 O VAL A 8 -19.020 -0.934 -7.268 1.00 0.00 O ATOM 70 CB VAL A 8 -17.366 1.827 -7.854 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.014 1.866 -6.478 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.855 1.692 -7.736 1.00 0.00 C ATOM 0 H VAL A 8 -19.590 1.943 -8.975 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.304 0.505 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.586 2.767 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.591 2.688 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.089 2.013 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.827 0.925 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.462 2.516 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.611 0.746 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.409 1.718 -8.730 1.00 0.00 H new ATOM 82 N ASP A 9 -16.852 -1.279 -7.759 1.00 0.00 N ATOM 83 CA ASP A 9 -16.756 -2.504 -6.975 1.00 0.00 C ATOM 84 C ASP A 9 -15.625 -2.410 -5.956 1.00 0.00 C ATOM 85 O ASP A 9 -14.451 -2.356 -6.321 1.00 0.00 O ATOM 86 CB ASP A 9 -16.531 -3.707 -7.894 1.00 0.00 C ATOM 87 CG ASP A 9 -16.884 -5.020 -7.224 1.00 0.00 C ATOM 88 OD1 ASP A 9 -16.175 -5.410 -6.273 1.00 0.00 O ATOM 89 OD2 ASP A 9 -17.868 -5.659 -7.652 1.00 0.00 O ATOM 0 H ASP A 9 -15.987 -1.009 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.695 -2.636 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.132 -3.589 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.487 -3.731 -8.207 1.00 0.00 H new ATOM 94 N GLU A 10 -15.988 -2.389 -4.677 1.00 0.00 N ATOM 95 CA GLU A 10 -15.003 -2.298 -3.605 1.00 0.00 C ATOM 96 C GLU A 10 -14.159 -3.567 -3.534 1.00 0.00 C ATOM 97 O GLU A 10 -14.601 -4.659 -3.893 1.00 0.00 O ATOM 98 CB GLU A 10 -15.698 -2.059 -2.263 1.00 0.00 C ATOM 99 CG GLU A 10 -16.425 -0.727 -2.183 1.00 0.00 C ATOM 100 CD GLU A 10 -17.320 -0.623 -0.964 1.00 0.00 C ATOM 101 OE1 GLU A 10 -16.800 -0.323 0.131 1.00 0.00 O ATOM 102 OE2 GLU A 10 -18.541 -0.843 -1.105 1.00 0.00 O ATOM 0 H GLU A 10 -16.956 -2.434 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.345 -1.456 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.411 -2.864 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.956 -2.107 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.694 0.081 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.025 -0.590 -3.082 1.00 0.00 H new ATOM 109 N PRO A 11 -12.913 -3.422 -3.060 1.00 0.00 N ATOM 110 CA PRO A 11 -11.979 -4.545 -2.930 1.00 0.00 C ATOM 111 C PRO A 11 -12.391 -5.517 -1.829 1.00 0.00 C ATOM 112 O PRO A 11 -11.664 -6.460 -1.518 1.00 0.00 O ATOM 113 CB PRO A 11 -10.654 -3.866 -2.576 1.00 0.00 C ATOM 114 CG PRO A 11 -11.047 -2.580 -1.935 1.00 0.00 C ATOM 115 CD PRO A 11 -12.319 -2.151 -2.613 1.00 0.00 C ATOM 0 HA PRO A 11 -11.936 -5.146 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.062 -4.482 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.046 -3.696 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.200 -2.709 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.267 -1.829 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.979 -1.618 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.122 -1.483 -3.451 1.00 0.00 H new ATOM 123 N GLU A 12 -13.560 -5.279 -1.243 1.00 0.00 N ATOM 124 CA GLU A 12 -14.067 -6.134 -0.175 1.00 0.00 C ATOM 125 C GLU A 12 -13.657 -7.587 -0.401 1.00 0.00 C ATOM 126 O GLU A 12 -12.931 -8.170 0.403 1.00 0.00 O ATOM 127 CB GLU A 12 -15.591 -6.030 -0.089 1.00 0.00 C ATOM 128 CG GLU A 12 -16.282 -6.070 -1.441 1.00 0.00 C ATOM 129 CD GLU A 12 -17.602 -5.324 -1.444 1.00 0.00 C ATOM 130 OE1 GLU A 12 -17.653 -4.208 -0.886 1.00 0.00 O ATOM 131 OE2 GLU A 12 -18.583 -5.856 -2.004 1.00 0.00 O ATOM 0 H GLU A 12 -14.174 -4.502 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.633 -5.794 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.968 -6.847 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.855 -5.101 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.623 -5.638 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.455 -7.108 -1.726 1.00 0.00 H new ATOM 138 N SER A 13 -14.129 -8.164 -1.501 1.00 0.00 N ATOM 139 CA SER A 13 -13.817 -9.550 -1.832 1.00 0.00 C ATOM 140 C SER A 13 -12.321 -9.818 -1.691 1.00 0.00 C ATOM 141 O SER A 13 -11.911 -10.891 -1.250 1.00 0.00 O ATOM 142 CB SER A 13 -14.272 -9.872 -3.256 1.00 0.00 C ATOM 143 OG SER A 13 -15.669 -9.684 -3.400 1.00 0.00 O ATOM 0 H SER A 13 -14.729 -7.694 -2.179 1.00 0.00 H new ATOM 0 HA SER A 13 -14.352 -10.194 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.741 -9.235 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.014 -10.903 -3.499 1.00 0.00 H new ATOM 0 HG SER A 13 -15.934 -9.895 -4.320 1.00 0.00 H new ATOM 149 N MET A 14 -11.512 -8.833 -2.068 1.00 0.00 N ATOM 150 CA MET A 14 -10.062 -8.961 -1.983 1.00 0.00 C ATOM 151 C MET A 14 -9.590 -8.844 -0.537 1.00 0.00 C ATOM 152 O MET A 14 -10.264 -8.243 0.300 1.00 0.00 O ATOM 153 CB MET A 14 -9.383 -7.893 -2.842 1.00 0.00 C ATOM 154 CG MET A 14 -9.532 -8.130 -4.336 1.00 0.00 C ATOM 155 SD MET A 14 -9.590 -6.594 -5.280 1.00 0.00 S ATOM 156 CE MET A 14 -8.184 -5.722 -4.594 1.00 0.00 C ATOM 0 H MET A 14 -11.836 -7.938 -2.435 1.00 0.00 H new ATOM 0 HA MET A 14 -9.786 -9.947 -2.358 1.00 0.00 H new ATOM 0 HB2 MET A 14 -9.802 -6.918 -2.593 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.323 -7.857 -2.592 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.698 -8.737 -4.689 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.442 -8.700 -4.521 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.622 -5.248 -5.399 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.533 -4.960 -3.897 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.540 -6.427 -4.068 1.00 0.00 H new ATOM 166 N VAL A 15 -8.428 -9.421 -0.249 1.00 0.00 N ATOM 167 CA VAL A 15 -7.865 -9.380 1.095 1.00 0.00 C ATOM 168 C VAL A 15 -6.776 -8.319 1.203 1.00 0.00 C ATOM 169 O VAL A 15 -5.904 -8.221 0.341 1.00 0.00 O ATOM 170 CB VAL A 15 -7.279 -10.746 1.500 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.667 -10.673 2.891 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.349 -11.825 1.435 1.00 0.00 C ATOM 0 H VAL A 15 -7.858 -9.923 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.681 -9.128 1.772 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.490 -11.007 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.258 -11.647 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.870 -9.930 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.434 -10.390 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.917 -12.783 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.162 -11.573 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.736 -11.893 0.418 1.00 0.00 H new ATOM 182 N ASN A 16 -6.832 -7.527 2.269 1.00 0.00 N ATOM 183 CA ASN A 16 -5.849 -6.472 2.490 1.00 0.00 C ATOM 184 C ASN A 16 -4.810 -6.904 3.520 1.00 0.00 C ATOM 185 O ASN A 16 -5.139 -7.166 4.678 1.00 0.00 O ATOM 186 CB ASN A 16 -6.543 -5.190 2.955 1.00 0.00 C ATOM 187 CG ASN A 16 -7.540 -4.670 1.937 1.00 0.00 C ATOM 188 OD1 ASN A 16 -8.750 -4.830 2.099 1.00 0.00 O ATOM 189 ND2 ASN A 16 -7.034 -4.044 0.881 1.00 0.00 N ATOM 0 H ASN A 16 -7.547 -7.596 2.993 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.340 -6.280 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.056 -5.379 3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.793 -4.424 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.655 -3.672 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.024 -3.935 0.789 1.00 0.00 H new ATOM 196 N LEU A 17 -3.555 -6.976 3.091 1.00 0.00 N ATOM 197 CA LEU A 17 -2.466 -7.376 3.976 1.00 0.00 C ATOM 198 C LEU A 17 -2.162 -6.281 4.994 1.00 0.00 C ATOM 199 O LEU A 17 -2.202 -5.094 4.673 1.00 0.00 O ATOM 200 CB LEU A 17 -1.211 -7.693 3.161 1.00 0.00 C ATOM 201 CG LEU A 17 -1.383 -8.710 2.032 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.161 -8.715 1.127 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.635 -10.100 2.599 1.00 0.00 C ATOM 0 H LEU A 17 -3.266 -6.763 2.136 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.778 -8.271 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.836 -6.764 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.444 -8.062 3.842 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.249 -8.420 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.302 -9.445 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.026 -7.724 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.722 -8.979 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.755 -10.810 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.789 -10.399 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.541 -10.087 3.204 1.00 0.00 H new ATOM 215 N ALA A 18 -1.856 -6.689 6.221 1.00 0.00 N ATOM 216 CA ALA A 18 -1.541 -5.744 7.284 1.00 0.00 C ATOM 217 C ALA A 18 -0.034 -5.635 7.494 1.00 0.00 C ATOM 218 O ALA A 18 0.484 -4.563 7.807 1.00 0.00 O ATOM 219 CB ALA A 18 -2.227 -6.156 8.578 1.00 0.00 C ATOM 0 H ALA A 18 -1.820 -7.669 6.503 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.912 -4.764 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.982 -5.441 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.306 -6.175 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.884 -7.148 8.872 1.00 0.00 H new ATOM 225 N PHE A 19 0.664 -6.752 7.320 1.00 0.00 N ATOM 226 CA PHE A 19 2.112 -6.783 7.492 1.00 0.00 C ATOM 227 C PHE A 19 2.759 -7.736 6.491 1.00 0.00 C ATOM 228 O PHE A 19 2.437 -8.924 6.450 1.00 0.00 O ATOM 229 CB PHE A 19 2.469 -7.205 8.919 1.00 0.00 C ATOM 230 CG PHE A 19 3.806 -7.881 9.027 1.00 0.00 C ATOM 231 CD1 PHE A 19 4.917 -7.354 8.388 1.00 0.00 C ATOM 232 CD2 PHE A 19 3.952 -9.041 9.769 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.148 -7.974 8.485 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.182 -9.666 9.871 1.00 0.00 C ATOM 235 CZ PHE A 19 6.281 -9.131 9.229 1.00 0.00 C ATOM 0 H PHE A 19 0.251 -7.648 7.060 1.00 0.00 H new ATOM 0 HA PHE A 19 2.495 -5.779 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.463 -6.325 9.562 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.699 -7.879 9.294 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.820 -6.448 7.808 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.096 -9.463 10.274 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.006 -7.555 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.282 -10.571 10.452 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.243 -9.616 9.308 1.00 0.00 H new ATOM 245 N VAL A 20 3.672 -7.206 5.683 1.00 0.00 N ATOM 246 CA VAL A 20 4.365 -8.009 4.682 1.00 0.00 C ATOM 247 C VAL A 20 5.874 -7.973 4.897 1.00 0.00 C ATOM 248 O VAL A 20 6.477 -6.902 4.969 1.00 0.00 O ATOM 249 CB VAL A 20 4.049 -7.521 3.256 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.987 -8.171 2.249 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.597 -7.805 2.905 1.00 0.00 C ATOM 0 H VAL A 20 3.949 -6.224 5.702 1.00 0.00 H new ATOM 0 HA VAL A 20 4.009 -9.033 4.795 1.00 0.00 H new ATOM 0 HB VAL A 20 4.204 -6.443 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.749 -7.814 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.017 -7.911 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.867 -9.254 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.392 -7.453 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.412 -8.878 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.945 -7.288 3.608 1.00 0.00 H new ATOM 261 N LYS A 21 6.479 -9.152 5.000 1.00 0.00 N ATOM 262 CA LYS A 21 7.919 -9.258 5.205 1.00 0.00 C ATOM 263 C LYS A 21 8.682 -8.643 4.036 1.00 0.00 C ATOM 264 O LYS A 21 8.744 -9.220 2.952 1.00 0.00 O ATOM 265 CB LYS A 21 8.323 -10.723 5.378 1.00 0.00 C ATOM 266 CG LYS A 21 9.587 -10.913 6.199 1.00 0.00 C ATOM 267 CD LYS A 21 10.673 -9.935 5.785 1.00 0.00 C ATOM 268 CE LYS A 21 11.847 -9.964 6.751 1.00 0.00 C ATOM 269 NZ LYS A 21 12.422 -11.331 6.885 1.00 0.00 N ATOM 0 H LYS A 21 5.994 -10.048 4.945 1.00 0.00 H new ATOM 0 HA LYS A 21 8.174 -8.708 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.505 -11.263 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.468 -11.170 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.359 -10.778 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.950 -11.934 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.020 -10.179 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.260 -8.927 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.619 -9.278 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.521 -9.610 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.290 -11.288 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.731 -11.954 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.647 -11.707 5.942 1.00 0.00 H new ATOM 283 N ASN A 22 9.262 -7.469 4.266 1.00 0.00 N ATOM 284 CA ASN A 22 10.022 -6.777 3.231 1.00 0.00 C ATOM 285 C ASN A 22 11.100 -5.892 3.849 1.00 0.00 C ATOM 286 O ASN A 22 11.141 -5.703 5.064 1.00 0.00 O ATOM 287 CB ASN A 22 9.088 -5.932 2.362 1.00 0.00 C ATOM 288 CG ASN A 22 8.724 -4.614 3.018 1.00 0.00 C ATOM 289 OD1 ASN A 22 8.992 -3.542 2.473 1.00 0.00 O ATOM 290 ND2 ASN A 22 8.111 -4.687 4.193 1.00 0.00 N ATOM 0 H ASN A 22 9.220 -6.978 5.159 1.00 0.00 H new ATOM 0 HA ASN A 22 10.507 -7.528 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.566 -5.737 1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.178 -6.496 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.842 -3.833 4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.909 -5.597 4.607 1.00 0.00 H new ATOM 297 N ASP A 23 11.970 -5.352 3.003 1.00 0.00 N ATOM 298 CA ASP A 23 13.048 -4.485 3.465 1.00 0.00 C ATOM 299 C ASP A 23 13.336 -3.386 2.446 1.00 0.00 C ATOM 300 O ASP A 23 13.617 -3.664 1.281 1.00 0.00 O ATOM 301 CB ASP A 23 14.315 -5.303 3.721 1.00 0.00 C ATOM 302 CG ASP A 23 15.288 -4.590 4.640 1.00 0.00 C ATOM 303 OD1 ASP A 23 15.549 -3.390 4.412 1.00 0.00 O ATOM 304 OD2 ASP A 23 15.788 -5.232 5.587 1.00 0.00 O ATOM 0 H ASP A 23 11.950 -5.499 1.994 1.00 0.00 H new ATOM 0 HA ASP A 23 12.731 -4.018 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.042 -6.263 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.806 -5.515 2.771 1.00 0.00 H new ATOM 309 N SER A 24 13.261 -2.137 2.895 1.00 0.00 N ATOM 310 CA SER A 24 13.508 -0.995 2.022 1.00 0.00 C ATOM 311 C SER A 24 14.726 -0.206 2.491 1.00 0.00 C ATOM 312 O SER A 24 14.836 0.148 3.665 1.00 0.00 O ATOM 313 CB SER A 24 12.281 -0.083 1.980 1.00 0.00 C ATOM 314 OG SER A 24 12.207 0.727 3.141 1.00 0.00 O ATOM 0 H SER A 24 13.031 -1.890 3.858 1.00 0.00 H new ATOM 0 HA SER A 24 13.706 -1.373 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.325 0.550 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.378 -0.687 1.896 1.00 0.00 H new ATOM 0 HG SER A 24 13.042 0.649 3.648 1.00 0.00 H new ATOM 320 N TYR A 25 15.640 0.066 1.566 1.00 0.00 N ATOM 321 CA TYR A 25 16.852 0.811 1.884 1.00 0.00 C ATOM 322 C TYR A 25 16.856 2.168 1.187 1.00 0.00 C ATOM 323 O TYR A 25 16.270 2.330 0.117 1.00 0.00 O ATOM 324 CB TYR A 25 18.090 0.011 1.474 1.00 0.00 C ATOM 325 CG TYR A 25 18.170 -0.262 -0.011 1.00 0.00 C ATOM 326 CD1 TYR A 25 17.586 -1.396 -0.561 1.00 0.00 C ATOM 327 CD2 TYR A 25 18.829 0.615 -0.863 1.00 0.00 C ATOM 328 CE1 TYR A 25 17.658 -1.650 -1.917 1.00 0.00 C ATOM 329 CE2 TYR A 25 18.905 0.370 -2.221 1.00 0.00 C ATOM 330 CZ TYR A 25 18.318 -0.764 -2.743 1.00 0.00 C ATOM 331 OH TYR A 25 18.391 -1.013 -4.094 1.00 0.00 O ATOM 0 H TYR A 25 15.564 -0.219 0.589 1.00 0.00 H new ATOM 0 HA TYR A 25 16.874 0.976 2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.983 0.555 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.093 -0.938 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.067 -2.091 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.290 1.503 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.200 -2.537 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.421 1.062 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 25 18.148 -1.946 -4.268 1.00 0.00 H new ATOM 341 N GLU A 26 17.522 3.140 1.802 1.00 0.00 N ATOM 342 CA GLU A 26 17.603 4.484 1.241 1.00 0.00 C ATOM 343 C GLU A 26 18.570 4.524 0.061 1.00 0.00 C ATOM 344 O GLU A 26 19.781 4.388 0.232 1.00 0.00 O ATOM 345 CB GLU A 26 18.046 5.482 2.312 1.00 0.00 C ATOM 346 CG GLU A 26 16.947 5.850 3.294 1.00 0.00 C ATOM 347 CD GLU A 26 17.488 6.450 4.578 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.225 5.745 5.298 1.00 0.00 O ATOM 349 OE2 GLU A 26 17.174 7.625 4.861 1.00 0.00 O ATOM 0 H GLU A 26 18.013 3.022 2.688 1.00 0.00 H new ATOM 0 HA GLU A 26 16.611 4.761 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.887 5.061 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.405 6.389 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.268 6.561 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.364 4.960 3.531 1.00 0.00 H new ATOM 356 N LYS A 27 18.025 4.710 -1.136 1.00 0.00 N ATOM 357 CA LYS A 27 18.837 4.768 -2.346 1.00 0.00 C ATOM 358 C LYS A 27 18.867 6.184 -2.913 1.00 0.00 C ATOM 359 O LYS A 27 17.974 6.987 -2.650 1.00 0.00 O ATOM 360 CB LYS A 27 18.294 3.798 -3.397 1.00 0.00 C ATOM 361 CG LYS A 27 19.014 3.882 -4.732 1.00 0.00 C ATOM 362 CD LYS A 27 18.345 3.010 -5.782 1.00 0.00 C ATOM 363 CE LYS A 27 18.768 1.555 -5.650 1.00 0.00 C ATOM 364 NZ LYS A 27 18.442 0.770 -6.873 1.00 0.00 N ATOM 0 H LYS A 27 17.024 4.823 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 27 19.855 4.478 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.372 2.780 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.234 3.999 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.030 4.917 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.051 3.572 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.262 3.086 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.601 3.376 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.840 1.504 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.271 1.109 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.652 -0.235 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.433 0.880 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.014 1.116 -7.670 1.00 0.00 H new ATOM 378 N GLY A 28 19.901 6.482 -3.694 1.00 0.00 N ATOM 379 CA GLY A 28 20.027 7.800 -4.287 1.00 0.00 C ATOM 380 C GLY A 28 19.655 8.908 -3.322 1.00 0.00 C ATOM 381 O GLY A 28 19.576 8.704 -2.110 1.00 0.00 O ATOM 0 H GLY A 28 20.654 5.834 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.053 7.946 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.389 7.861 -5.169 1.00 0.00 H new ATOM 385 N PRO A 29 19.420 10.114 -3.861 1.00 0.00 N ATOM 386 CA PRO A 29 19.052 11.282 -3.056 1.00 0.00 C ATOM 387 C PRO A 29 17.649 11.163 -2.469 1.00 0.00 C ATOM 388 O PRO A 29 17.452 11.341 -1.267 1.00 0.00 O ATOM 389 CB PRO A 29 19.116 12.438 -4.058 1.00 0.00 C ATOM 390 CG PRO A 29 18.887 11.801 -5.386 1.00 0.00 C ATOM 391 CD PRO A 29 19.496 10.429 -5.297 1.00 0.00 C ATOM 0 HA PRO A 29 19.710 11.408 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.357 13.190 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.082 12.941 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.822 11.742 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.350 12.383 -6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.945 9.705 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.525 10.422 -5.656 1.00 0.00 H new ATOM 399 N ASP A 30 16.679 10.861 -3.325 1.00 0.00 N ATOM 400 CA ASP A 30 15.294 10.716 -2.891 1.00 0.00 C ATOM 401 C ASP A 30 14.719 9.379 -3.346 1.00 0.00 C ATOM 402 O ASP A 30 13.503 9.191 -3.370 1.00 0.00 O ATOM 403 CB ASP A 30 14.444 11.864 -3.437 1.00 0.00 C ATOM 404 CG ASP A 30 14.893 13.216 -2.918 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.338 13.285 -1.753 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.800 14.204 -3.676 1.00 0.00 O ATOM 0 H ASP A 30 16.826 10.712 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 30 15.275 10.747 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.493 11.862 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.401 11.702 -3.164 1.00 0.00 H new ATOM 411 N SER A 31 15.601 8.453 -3.709 1.00 0.00 N ATOM 412 CA SER A 31 15.181 7.135 -4.169 1.00 0.00 C ATOM 413 C SER A 31 15.031 6.172 -2.995 1.00 0.00 C ATOM 414 O SER A 31 15.783 6.239 -2.022 1.00 0.00 O ATOM 415 CB SER A 31 16.189 6.577 -5.175 1.00 0.00 C ATOM 416 OG SER A 31 16.451 7.512 -6.207 1.00 0.00 O ATOM 0 H SER A 31 16.611 8.592 -3.693 1.00 0.00 H new ATOM 0 HA SER A 31 14.212 7.240 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.118 6.326 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.804 5.653 -5.606 1.00 0.00 H new ATOM 0 HG SER A 31 17.099 7.132 -6.836 1.00 0.00 H new ATOM 422 N VAL A 32 14.054 5.277 -3.093 1.00 0.00 N ATOM 423 CA VAL A 32 13.804 4.299 -2.040 1.00 0.00 C ATOM 424 C VAL A 32 13.381 2.957 -2.627 1.00 0.00 C ATOM 425 O VAL A 32 12.276 2.817 -3.151 1.00 0.00 O ATOM 426 CB VAL A 32 12.716 4.788 -1.066 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.419 3.725 -0.020 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.138 6.093 -0.408 1.00 0.00 C ATOM 0 H VAL A 32 13.422 5.208 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 32 14.739 4.175 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 32 11.802 4.972 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.648 4.088 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.070 2.817 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.326 3.506 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.357 6.424 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.065 5.939 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.295 6.853 -1.174 1.00 0.00 H new ATOM 438 N VAL A 33 14.267 1.970 -2.533 1.00 0.00 N ATOM 439 CA VAL A 33 13.984 0.638 -3.053 1.00 0.00 C ATOM 440 C VAL A 33 13.362 -0.250 -1.981 1.00 0.00 C ATOM 441 O VAL A 33 13.714 -0.160 -0.804 1.00 0.00 O ATOM 442 CB VAL A 33 15.261 -0.039 -3.586 1.00 0.00 C ATOM 443 CG1 VAL A 33 14.994 -1.499 -3.916 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.787 0.704 -4.805 1.00 0.00 C ATOM 0 H VAL A 33 15.186 2.068 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 33 13.277 0.762 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 33 16.023 -0.001 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.908 -1.960 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.666 -2.021 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.216 -1.564 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.689 0.213 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.030 0.699 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.019 1.733 -4.532 1.00 0.00 H new ATOM 454 N VAL A 34 12.436 -1.108 -2.395 1.00 0.00 N ATOM 455 CA VAL A 34 11.765 -2.014 -1.470 1.00 0.00 C ATOM 456 C VAL A 34 11.946 -3.467 -1.896 1.00 0.00 C ATOM 457 O VAL A 34 11.832 -3.798 -3.077 1.00 0.00 O ATOM 458 CB VAL A 34 10.260 -1.703 -1.373 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.610 -2.544 -0.284 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.038 -0.220 -1.116 1.00 0.00 C ATOM 0 H VAL A 34 12.133 -1.195 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 34 12.223 -1.865 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 34 9.792 -1.958 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.547 -2.311 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.738 -3.601 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.079 -2.323 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.969 -0.018 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.519 0.063 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.467 0.359 -1.934 1.00 0.00 H new ATOM 470 N HIS A 35 12.229 -4.331 -0.926 1.00 0.00 N ATOM 471 CA HIS A 35 12.425 -5.750 -1.200 1.00 0.00 C ATOM 472 C HIS A 35 11.384 -6.593 -0.470 1.00 0.00 C ATOM 473 O HIS A 35 11.477 -6.802 0.740 1.00 0.00 O ATOM 474 CB HIS A 35 13.832 -6.182 -0.784 1.00 0.00 C ATOM 475 CG HIS A 35 14.909 -5.661 -1.684 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.134 -6.279 -1.827 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.940 -4.576 -2.492 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.872 -5.594 -2.683 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.171 -4.556 -3.101 1.00 0.00 N ATOM 0 H HIS A 35 12.328 -4.073 0.056 1.00 0.00 H new ATOM 0 HA HIS A 35 12.307 -5.908 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.023 -5.839 0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.879 -7.271 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.425 -7.131 -1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.145 -3.859 -2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.878 -5.841 -2.989 1.00 0.00 H new ATOM 488 N VAL A 36 10.393 -7.076 -1.213 1.00 0.00 N ATOM 489 CA VAL A 36 9.335 -7.896 -0.637 1.00 0.00 C ATOM 490 C VAL A 36 9.687 -9.378 -0.709 1.00 0.00 C ATOM 491 O VAL A 36 9.997 -9.901 -1.780 1.00 0.00 O ATOM 492 CB VAL A 36 7.991 -7.663 -1.353 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.862 -8.363 -0.611 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.710 -6.175 -1.486 1.00 0.00 C ATOM 0 H VAL A 36 10.301 -6.913 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 36 9.238 -7.599 0.407 1.00 0.00 H new ATOM 0 HB VAL A 36 8.054 -8.089 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.921 -8.187 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.061 -9.434 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.795 -7.970 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.757 -6.029 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.666 -5.723 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.505 -5.705 -2.064 1.00 0.00 H new ATOM 504 N TYR A 37 9.636 -10.049 0.436 1.00 0.00 N ATOM 505 CA TYR A 37 9.952 -11.471 0.503 1.00 0.00 C ATOM 506 C TYR A 37 8.749 -12.316 0.093 1.00 0.00 C ATOM 507 O TYR A 37 7.812 -12.501 0.869 1.00 0.00 O ATOM 508 CB TYR A 37 10.396 -11.850 1.917 1.00 0.00 C ATOM 509 CG TYR A 37 11.765 -11.322 2.283 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.384 -10.347 1.511 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.440 -11.799 3.400 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.635 -9.862 1.841 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.690 -11.319 3.738 1.00 0.00 C ATOM 514 CZ TYR A 37 14.284 -10.351 2.955 1.00 0.00 C ATOM 515 OH TYR A 37 15.530 -9.871 3.288 1.00 0.00 O ATOM 0 H TYR A 37 9.379 -9.631 1.330 1.00 0.00 H new ATOM 0 HA TYR A 37 10.767 -11.669 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.666 -11.470 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.398 -12.936 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.879 -9.961 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.979 -12.558 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.102 -9.104 1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.200 -11.699 4.611 1.00 0.00 H new ATOM 0 HH TYR A 37 15.847 -10.319 4.100 1.00 0.00 H new ATOM 525 N VAL A 38 8.784 -12.826 -1.134 1.00 0.00 N ATOM 526 CA VAL A 38 7.700 -13.653 -1.649 1.00 0.00 C ATOM 527 C VAL A 38 8.065 -14.261 -2.999 1.00 0.00 C ATOM 528 O VAL A 38 8.772 -13.646 -3.798 1.00 0.00 O ATOM 529 CB VAL A 38 6.399 -12.843 -1.799 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.528 -11.826 -2.923 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.218 -13.771 -2.042 1.00 0.00 C ATOM 0 H VAL A 38 9.552 -12.681 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 38 7.541 -14.452 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 38 6.221 -12.301 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.599 -11.264 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.347 -11.141 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.731 -12.344 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.307 -13.181 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.386 -14.342 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.114 -14.455 -1.200 1.00 0.00 H new ATOM 541 N LYS A 39 7.578 -15.471 -3.248 1.00 0.00 N ATOM 542 CA LYS A 39 7.851 -16.163 -4.502 1.00 0.00 C ATOM 543 C LYS A 39 6.566 -16.718 -5.108 1.00 0.00 C ATOM 544 O LYS A 39 5.482 -16.546 -4.551 1.00 0.00 O ATOM 545 CB LYS A 39 8.852 -17.299 -4.275 1.00 0.00 C ATOM 546 CG LYS A 39 9.871 -17.003 -3.188 1.00 0.00 C ATOM 547 CD LYS A 39 10.882 -18.128 -3.051 1.00 0.00 C ATOM 548 CE LYS A 39 11.357 -18.621 -4.409 1.00 0.00 C ATOM 549 NZ LYS A 39 10.480 -19.698 -4.946 1.00 0.00 N ATOM 0 H LYS A 39 6.991 -15.994 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 39 8.280 -15.443 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.307 -18.206 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.377 -17.501 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.390 -16.072 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.358 -16.856 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.736 -17.782 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.435 -18.955 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.379 -17.787 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.378 -18.993 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.047 -20.552 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.734 -19.915 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.046 -19.381 -5.836 1.00 0.00 H new ATOM 563 N GLU A 40 6.696 -17.385 -6.251 1.00 0.00 N ATOM 564 CA GLU A 40 5.544 -17.965 -6.931 1.00 0.00 C ATOM 565 C GLU A 40 4.438 -16.928 -7.109 1.00 0.00 C ATOM 566 O GLU A 40 3.257 -17.228 -6.931 1.00 0.00 O ATOM 567 CB GLU A 40 5.011 -19.165 -6.146 1.00 0.00 C ATOM 568 CG GLU A 40 6.102 -20.006 -5.505 1.00 0.00 C ATOM 569 CD GLU A 40 6.666 -21.049 -6.451 1.00 0.00 C ATOM 570 OE1 GLU A 40 5.911 -21.533 -7.319 1.00 0.00 O ATOM 571 OE2 GLU A 40 7.864 -21.380 -6.321 1.00 0.00 O ATOM 0 H GLU A 40 7.586 -17.537 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 40 5.867 -18.299 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.335 -18.809 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.424 -19.795 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.907 -19.354 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.701 -20.502 -4.621 1.00 0.00 H new ATOM 578 N ILE A 41 4.830 -15.708 -7.460 1.00 0.00 N ATOM 579 CA ILE A 41 3.873 -14.627 -7.662 1.00 0.00 C ATOM 580 C ILE A 41 3.428 -14.553 -9.119 1.00 0.00 C ATOM 581 O ILE A 41 4.178 -14.912 -10.027 1.00 0.00 O ATOM 582 CB ILE A 41 4.464 -13.267 -7.247 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.374 -13.089 -5.730 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.742 -12.136 -7.963 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.335 -11.641 -5.294 1.00 0.00 C ATOM 0 H ILE A 41 5.804 -15.443 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 41 3.011 -14.846 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 41 5.515 -13.240 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.480 -13.594 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.229 -13.578 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.171 -11.181 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.853 -12.258 -9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.684 -12.158 -7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.271 -11.590 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.241 -11.136 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.465 -11.152 -5.732 1.00 0.00 H new ATOM 597 N CYS A 42 2.204 -14.083 -9.334 1.00 0.00 N ATOM 598 CA CYS A 42 1.659 -13.959 -10.681 1.00 0.00 C ATOM 599 C CYS A 42 1.765 -12.522 -11.182 1.00 0.00 C ATOM 600 O CYS A 42 0.989 -11.655 -10.780 1.00 0.00 O ATOM 601 CB CYS A 42 0.199 -14.414 -10.706 1.00 0.00 C ATOM 602 SG CYS A 42 -0.324 -15.133 -12.281 1.00 0.00 S ATOM 0 H CYS A 42 1.571 -13.782 -8.593 1.00 0.00 H new ATOM 0 HA CYS A 42 2.243 -14.598 -11.343 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.045 -15.148 -9.915 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.440 -13.561 -10.478 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.572 -15.489 -12.202 1.00 0.00 H new ATOM 608 N ARG A 43 2.733 -12.277 -12.059 1.00 0.00 N ATOM 609 CA ARG A 43 2.943 -10.945 -12.612 1.00 0.00 C ATOM 610 C ARG A 43 1.771 -10.533 -13.499 1.00 0.00 C ATOM 611 O ARG A 43 1.659 -9.373 -13.897 1.00 0.00 O ATOM 612 CB ARG A 43 4.244 -10.902 -13.416 1.00 0.00 C ATOM 613 CG ARG A 43 5.480 -11.220 -12.591 1.00 0.00 C ATOM 614 CD ARG A 43 6.746 -10.722 -13.270 1.00 0.00 C ATOM 615 NE ARG A 43 6.621 -9.336 -13.712 1.00 0.00 N ATOM 616 CZ ARG A 43 7.458 -8.759 -14.567 1.00 0.00 C ATOM 617 NH1 ARG A 43 8.474 -9.445 -15.071 1.00 0.00 N ATOM 618 NH2 ARG A 43 7.278 -7.492 -14.921 1.00 0.00 N ATOM 0 H ARG A 43 3.384 -12.984 -12.402 1.00 0.00 H new ATOM 0 HA ARG A 43 3.013 -10.242 -11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.175 -11.612 -14.241 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.356 -9.911 -13.857 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.389 -10.761 -11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.548 -12.297 -12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.585 -10.808 -12.580 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.971 -11.357 -14.127 1.00 0.00 H new ATOM 0 HE ARG A 43 5.849 -8.780 -13.344 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.615 -10.419 -14.803 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.115 -8.999 -15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.497 -6.961 -14.536 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.921 -7.050 -15.578 1.00 0.00 H new ATOM 632 N ASP A 44 0.902 -11.490 -13.804 1.00 0.00 N ATOM 633 CA ASP A 44 -0.261 -11.227 -14.643 1.00 0.00 C ATOM 634 C ASP A 44 -1.400 -10.630 -13.822 1.00 0.00 C ATOM 635 O ASP A 44 -2.107 -9.733 -14.281 1.00 0.00 O ATOM 636 CB ASP A 44 -0.727 -12.515 -15.323 1.00 0.00 C ATOM 637 CG ASP A 44 0.378 -13.184 -16.117 1.00 0.00 C ATOM 638 OD1 ASP A 44 1.125 -12.466 -16.815 1.00 0.00 O ATOM 639 OD2 ASP A 44 0.496 -14.424 -16.040 1.00 0.00 O ATOM 0 H ASP A 44 0.981 -12.455 -13.483 1.00 0.00 H new ATOM 0 HA ASP A 44 0.029 -10.506 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.098 -13.208 -14.567 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.562 -12.290 -15.986 1.00 0.00 H new ATOM 644 N THR A 45 -1.572 -11.135 -12.604 1.00 0.00 N ATOM 645 CA THR A 45 -2.625 -10.653 -11.719 1.00 0.00 C ATOM 646 C THR A 45 -2.042 -9.901 -10.529 1.00 0.00 C ATOM 647 O THR A 45 -2.688 -9.769 -9.489 1.00 0.00 O ATOM 648 CB THR A 45 -3.498 -11.813 -11.202 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.756 -12.604 -10.267 1.00 0.00 O ATOM 650 CG2 THR A 45 -3.971 -12.689 -12.352 1.00 0.00 C ATOM 0 H THR A 45 -0.995 -11.878 -12.208 1.00 0.00 H new ATOM 0 HA THR A 45 -3.245 -9.974 -12.305 1.00 0.00 H new ATOM 0 HB THR A 45 -4.372 -11.389 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.375 -13.131 -9.721 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.585 -13.501 -11.962 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.559 -12.090 -13.047 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.108 -13.105 -12.872 1.00 0.00 H new ATOM 658 N SER A 46 -0.818 -9.409 -10.688 1.00 0.00 N ATOM 659 CA SER A 46 -0.146 -8.671 -9.624 1.00 0.00 C ATOM 660 C SER A 46 0.359 -7.324 -10.132 1.00 0.00 C ATOM 661 O SER A 46 1.225 -7.263 -11.005 1.00 0.00 O ATOM 662 CB SER A 46 1.020 -9.489 -9.065 1.00 0.00 C ATOM 663 OG SER A 46 0.572 -10.733 -8.555 1.00 0.00 O ATOM 0 H SER A 46 -0.271 -9.508 -11.543 1.00 0.00 H new ATOM 0 HA SER A 46 -0.868 -8.491 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.758 -9.658 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.517 -8.926 -8.275 1.00 0.00 H new ATOM 0 HG SER A 46 0.442 -11.362 -9.295 1.00 0.00 H new ATOM 669 N ARG A 47 -0.187 -6.247 -9.578 1.00 0.00 N ATOM 670 CA ARG A 47 0.206 -4.901 -9.975 1.00 0.00 C ATOM 671 C ARG A 47 0.550 -4.052 -8.754 1.00 0.00 C ATOM 672 O ARG A 47 0.478 -4.522 -7.619 1.00 0.00 O ATOM 673 CB ARG A 47 -0.914 -4.233 -10.774 1.00 0.00 C ATOM 674 CG ARG A 47 -2.289 -4.393 -10.146 1.00 0.00 C ATOM 675 CD ARG A 47 -3.196 -3.221 -10.484 1.00 0.00 C ATOM 676 NE ARG A 47 -4.609 -3.578 -10.391 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.589 -2.840 -10.902 1.00 0.00 C ATOM 678 NH1 ARG A 47 -5.310 -1.711 -11.539 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.851 -3.231 -10.776 1.00 0.00 N ATOM 0 H ARG A 47 -0.903 -6.280 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 47 1.093 -4.980 -10.603 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.692 -3.171 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.932 -4.653 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.744 -5.319 -10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.188 -4.476 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.986 -2.393 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.976 -2.871 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.857 -4.441 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.341 -1.407 -11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.064 -1.146 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.070 -4.099 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.602 -2.664 -11.169 1.00 0.00 H new ATOM 693 N VAL A 48 0.924 -2.800 -8.996 1.00 0.00 N ATOM 694 CA VAL A 48 1.278 -1.886 -7.917 1.00 0.00 C ATOM 695 C VAL A 48 0.768 -0.477 -8.200 1.00 0.00 C ATOM 696 O VAL A 48 1.095 0.119 -9.228 1.00 0.00 O ATOM 697 CB VAL A 48 2.803 -1.834 -7.703 1.00 0.00 C ATOM 698 CG1 VAL A 48 3.154 -0.850 -6.597 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.343 -3.220 -7.386 1.00 0.00 C ATOM 0 H VAL A 48 0.990 -2.395 -9.930 1.00 0.00 H new ATOM 0 HA VAL A 48 0.804 -2.266 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 48 3.271 -1.489 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.235 -0.827 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.801 0.145 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.677 -1.162 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.421 -3.165 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.871 -3.596 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.124 -3.894 -8.214 1.00 0.00 H new ATOM 709 N LEU A 49 -0.035 0.050 -7.283 1.00 0.00 N ATOM 710 CA LEU A 49 -0.592 1.390 -7.433 1.00 0.00 C ATOM 711 C LEU A 49 0.256 2.418 -6.690 1.00 0.00 C ATOM 712 O LEU A 49 0.406 2.349 -5.470 1.00 0.00 O ATOM 713 CB LEU A 49 -2.030 1.428 -6.914 1.00 0.00 C ATOM 714 CG LEU A 49 -3.062 0.657 -7.739 1.00 0.00 C ATOM 715 CD1 LEU A 49 -3.175 1.245 -9.137 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.695 -0.819 -7.807 1.00 0.00 C ATOM 0 H LEU A 49 -0.315 -0.430 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.589 1.641 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.039 1.034 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.346 2.469 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.032 0.748 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.914 0.684 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.485 2.288 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.208 1.185 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.440 -1.352 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.716 -0.929 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.666 -1.234 -6.799 1.00 0.00 H new ATOM 728 N PHE A 50 0.806 3.372 -7.434 1.00 0.00 N ATOM 729 CA PHE A 50 1.637 4.416 -6.846 1.00 0.00 C ATOM 730 C PHE A 50 0.833 5.695 -6.629 1.00 0.00 C ATOM 731 O PHE A 50 0.495 6.396 -7.582 1.00 0.00 O ATOM 732 CB PHE A 50 2.843 4.704 -7.744 1.00 0.00 C ATOM 733 CG PHE A 50 3.808 3.558 -7.836 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.390 3.030 -6.694 1.00 0.00 C ATOM 735 CD2 PHE A 50 4.135 3.007 -9.065 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.279 1.976 -6.777 1.00 0.00 C ATOM 737 CE2 PHE A 50 5.024 1.952 -9.154 1.00 0.00 C ATOM 738 CZ PHE A 50 5.596 1.435 -8.008 1.00 0.00 C ATOM 0 H PHE A 50 0.691 3.444 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 50 1.990 4.062 -5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.490 4.952 -8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.368 5.581 -7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.146 3.447 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.690 3.407 -9.964 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.726 1.575 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.271 1.533 -10.118 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.289 0.610 -8.074 1.00 0.00 H new ATOM 748 N ARG A 51 0.531 5.990 -5.369 1.00 0.00 N ATOM 749 CA ARG A 51 -0.235 7.182 -5.027 1.00 0.00 C ATOM 750 C ARG A 51 0.693 8.357 -4.730 1.00 0.00 C ATOM 751 O ARG A 51 1.912 8.243 -4.850 1.00 0.00 O ATOM 752 CB ARG A 51 -1.131 6.909 -3.818 1.00 0.00 C ATOM 753 CG ARG A 51 -2.512 6.391 -4.188 1.00 0.00 C ATOM 754 CD ARG A 51 -3.487 7.532 -4.432 1.00 0.00 C ATOM 755 NE ARG A 51 -3.261 8.179 -5.721 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.756 7.726 -6.868 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.502 6.630 -6.884 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.506 8.370 -8.001 1.00 0.00 N ATOM 0 H ARG A 51 0.805 5.420 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.859 7.440 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.641 6.182 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.239 7.828 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.442 5.773 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.889 5.753 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.508 7.151 -4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.390 8.269 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.692 9.025 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.697 6.133 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.881 6.284 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.933 9.214 -7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.887 8.021 -8.881 1.00 0.00 H new ATOM 772 N GLU A 52 0.105 9.485 -4.343 1.00 0.00 N ATOM 773 CA GLU A 52 0.879 10.681 -4.032 1.00 0.00 C ATOM 774 C GLU A 52 1.380 10.644 -2.591 1.00 0.00 C ATOM 775 O GLU A 52 2.509 11.044 -2.306 1.00 0.00 O ATOM 776 CB GLU A 52 0.034 11.936 -4.257 1.00 0.00 C ATOM 777 CG GLU A 52 -1.125 12.073 -3.284 1.00 0.00 C ATOM 778 CD GLU A 52 -2.285 12.858 -3.865 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.191 14.102 -3.918 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.286 12.228 -4.266 1.00 0.00 O ATOM 0 H GLU A 52 -0.904 9.595 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 52 1.741 10.708 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.674 12.814 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.357 11.923 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.471 11.081 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.776 12.566 -2.376 1.00 0.00 H new ATOM 787 N GLN A 53 0.532 10.163 -1.688 1.00 0.00 N ATOM 788 CA GLN A 53 0.888 10.076 -0.276 1.00 0.00 C ATOM 789 C GLN A 53 0.789 8.638 0.222 1.00 0.00 C ATOM 790 O GLN A 53 0.634 8.394 1.419 1.00 0.00 O ATOM 791 CB GLN A 53 -0.020 10.981 0.558 1.00 0.00 C ATOM 792 CG GLN A 53 0.498 11.232 1.965 1.00 0.00 C ATOM 793 CD GLN A 53 -0.618 11.464 2.964 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.241 12.526 2.982 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.877 10.468 3.804 1.00 0.00 N ATOM 0 H GLN A 53 -0.406 9.828 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 53 1.920 10.409 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.136 11.937 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.011 10.531 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.096 10.379 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.159 12.099 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.336 9.605 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.617 10.566 4.499 1.00 0.00 H new ATOM 804 N ASP A 54 0.879 7.689 -0.703 1.00 0.00 N ATOM 805 CA ASP A 54 0.800 6.274 -0.358 1.00 0.00 C ATOM 806 C ASP A 54 1.143 5.401 -1.561 1.00 0.00 C ATOM 807 O ASP A 54 1.460 5.907 -2.638 1.00 0.00 O ATOM 808 CB ASP A 54 -0.599 5.930 0.156 1.00 0.00 C ATOM 809 CG ASP A 54 -1.690 6.663 -0.601 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.648 7.910 -0.642 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.586 5.989 -1.151 1.00 0.00 O ATOM 0 H ASP A 54 1.007 7.874 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 54 1.527 6.076 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.760 4.855 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.665 6.179 1.215 1.00 0.00 H new ATOM 816 N PHE A 55 1.078 4.087 -1.370 1.00 0.00 N ATOM 817 CA PHE A 55 1.383 3.144 -2.439 1.00 0.00 C ATOM 818 C PHE A 55 0.871 1.748 -2.095 1.00 0.00 C ATOM 819 O PHE A 55 1.304 1.138 -1.117 1.00 0.00 O ATOM 820 CB PHE A 55 2.892 3.097 -2.692 1.00 0.00 C ATOM 821 CG PHE A 55 3.609 2.079 -1.852 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.697 0.759 -2.265 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.195 2.442 -0.650 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.357 -0.180 -1.495 1.00 0.00 C ATOM 825 CE2 PHE A 55 4.857 1.507 0.124 1.00 0.00 C ATOM 826 CZ PHE A 55 4.936 0.194 -0.298 1.00 0.00 C ATOM 0 H PHE A 55 0.817 3.652 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 55 0.880 3.484 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.069 2.877 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.316 4.082 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.245 0.461 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.134 3.467 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.420 -1.205 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.312 1.803 1.058 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.450 -0.539 0.307 1.00 0.00 H new ATOM 836 N THR A 56 -0.056 1.248 -2.906 1.00 0.00 N ATOM 837 CA THR A 56 -0.630 -0.074 -2.688 1.00 0.00 C ATOM 838 C THR A 56 0.005 -1.108 -3.611 1.00 0.00 C ATOM 839 O THR A 56 0.320 -0.815 -4.765 1.00 0.00 O ATOM 840 CB THR A 56 -2.154 -0.069 -2.913 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.723 1.135 -2.387 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.803 -1.274 -2.250 1.00 0.00 C ATOM 0 H THR A 56 -0.425 1.739 -3.720 1.00 0.00 H new ATOM 0 HA THR A 56 -0.424 -0.341 -1.651 1.00 0.00 H new ATOM 0 HB THR A 56 -2.341 -0.120 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.692 1.131 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.879 -1.249 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.389 -2.189 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.607 -1.249 -1.178 1.00 0.00 H new ATOM 850 N LEU A 57 0.190 -2.318 -3.096 1.00 0.00 N ATOM 851 CA LEU A 57 0.788 -3.398 -3.875 1.00 0.00 C ATOM 852 C LEU A 57 -0.129 -4.616 -3.910 1.00 0.00 C ATOM 853 O LEU A 57 -0.270 -5.328 -2.915 1.00 0.00 O ATOM 854 CB LEU A 57 2.147 -3.784 -3.289 1.00 0.00 C ATOM 855 CG LEU A 57 2.619 -5.210 -3.574 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.111 -5.333 -5.008 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.713 -5.615 -2.596 1.00 0.00 C ATOM 0 H LEU A 57 -0.065 -2.577 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 57 0.928 -3.043 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.896 -3.091 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.107 -3.645 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 57 1.774 -5.885 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.443 -6.355 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.300 -5.086 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.943 -4.647 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.037 -6.633 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.560 -4.936 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.327 -5.567 -1.578 1.00 0.00 H new ATOM 869 N ILE A 58 -0.749 -4.851 -5.062 1.00 0.00 N ATOM 870 CA ILE A 58 -1.649 -5.985 -5.227 1.00 0.00 C ATOM 871 C ILE A 58 -0.985 -7.103 -6.025 1.00 0.00 C ATOM 872 O ILE A 58 -0.652 -6.930 -7.197 1.00 0.00 O ATOM 873 CB ILE A 58 -2.953 -5.570 -5.934 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.703 -4.530 -5.099 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.830 -6.788 -6.184 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.013 -3.185 -5.049 1.00 0.00 C ATOM 0 H ILE A 58 -0.644 -4.271 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.886 -6.347 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.701 -5.123 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.705 -4.401 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.820 -4.907 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.748 -6.479 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.295 -7.498 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.076 -7.260 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.600 -2.497 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.021 -3.301 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.920 -2.786 -6.059 1.00 0.00 H new ATOM 888 N PHE A 59 -0.797 -8.250 -5.381 1.00 0.00 N ATOM 889 CA PHE A 59 -0.174 -9.397 -6.031 1.00 0.00 C ATOM 890 C PHE A 59 -0.689 -10.705 -5.437 1.00 0.00 C ATOM 891 O PHE A 59 -0.887 -10.813 -4.227 1.00 0.00 O ATOM 892 CB PHE A 59 1.348 -9.325 -5.890 1.00 0.00 C ATOM 893 CG PHE A 59 1.834 -9.594 -4.495 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.707 -10.854 -3.933 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.420 -8.586 -3.745 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.153 -11.103 -2.649 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.868 -8.830 -2.460 1.00 0.00 C ATOM 898 CZ PHE A 59 2.735 -10.090 -1.912 1.00 0.00 C ATOM 0 H PHE A 59 -1.067 -8.410 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.436 -9.370 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.802 -10.046 -6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.687 -8.337 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.254 -11.651 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.528 -7.599 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.047 -12.089 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.321 -8.036 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.085 -10.283 -0.909 1.00 0.00 H new ATOM 908 N GLN A 60 -0.906 -11.694 -6.298 1.00 0.00 N ATOM 909 CA GLN A 60 -1.400 -12.994 -5.859 1.00 0.00 C ATOM 910 C GLN A 60 -0.273 -14.021 -5.822 1.00 0.00 C ATOM 911 O GLN A 60 0.209 -14.467 -6.864 1.00 0.00 O ATOM 912 CB GLN A 60 -2.517 -13.478 -6.784 1.00 0.00 C ATOM 913 CG GLN A 60 -3.876 -12.878 -6.463 1.00 0.00 C ATOM 914 CD GLN A 60 -4.868 -13.039 -7.598 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.679 -13.866 -8.491 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.935 -12.248 -7.570 1.00 0.00 N ATOM 0 H GLN A 60 -0.748 -11.620 -7.303 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.797 -12.881 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.256 -13.234 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.585 -14.564 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.276 -13.352 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.757 -11.818 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.052 -11.577 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.637 -12.312 -8.307 1.00 0.00 H new ATOM 925 N THR A 61 0.145 -14.392 -4.616 1.00 0.00 N ATOM 926 CA THR A 61 1.216 -15.365 -4.444 1.00 0.00 C ATOM 927 C THR A 61 0.657 -16.764 -4.216 1.00 0.00 C ATOM 928 O THR A 61 -0.465 -16.924 -3.736 1.00 0.00 O ATOM 929 CB THR A 61 2.130 -14.991 -3.261 1.00 0.00 C ATOM 930 OG1 THR A 61 3.200 -15.936 -3.151 1.00 0.00 O ATOM 931 CG2 THR A 61 1.342 -14.954 -1.960 1.00 0.00 C ATOM 0 H THR A 61 -0.242 -14.033 -3.743 1.00 0.00 H new ATOM 0 HA THR A 61 1.801 -15.356 -5.363 1.00 0.00 H new ATOM 0 HB THR A 61 2.541 -13.999 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.822 -15.815 -3.899 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.008 -14.688 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.547 -14.213 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.906 -15.935 -1.770 1.00 0.00 H new ATOM 939 N ARG A 62 1.446 -17.776 -4.564 1.00 0.00 N ATOM 940 CA ARG A 62 1.028 -19.162 -4.398 1.00 0.00 C ATOM 941 C ARG A 62 2.133 -19.988 -3.745 1.00 0.00 C ATOM 942 O ARG A 62 2.219 -21.200 -3.949 1.00 0.00 O ATOM 943 CB ARG A 62 0.654 -19.770 -5.751 1.00 0.00 C ATOM 944 CG ARG A 62 1.855 -20.129 -6.611 1.00 0.00 C ATOM 945 CD ARG A 62 1.437 -20.495 -8.026 1.00 0.00 C ATOM 946 NE ARG A 62 2.543 -20.374 -8.972 1.00 0.00 N ATOM 947 CZ ARG A 62 2.951 -19.216 -9.481 1.00 0.00 C ATOM 948 NH1 ARG A 62 2.347 -18.087 -9.137 1.00 0.00 N ATOM 949 NH2 ARG A 62 3.965 -19.187 -10.337 1.00 0.00 N ATOM 0 H ARG A 62 2.378 -17.661 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 62 0.154 -19.176 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.056 -20.666 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.026 -19.065 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.547 -19.287 -6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.390 -20.965 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.059 -21.517 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.618 -19.848 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 62 3.029 -21.224 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.567 -18.106 -8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.662 -17.200 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.432 -20.054 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.278 -18.298 -10.727 1.00 0.00 H new ATOM 963 N ASP A 63 2.976 -19.325 -2.962 1.00 0.00 N ATOM 964 CA ASP A 63 4.075 -19.998 -2.279 1.00 0.00 C ATOM 965 C ASP A 63 3.668 -20.408 -0.867 1.00 0.00 C ATOM 966 O ASP A 63 3.548 -19.569 0.024 1.00 0.00 O ATOM 967 CB ASP A 63 5.303 -19.087 -2.225 1.00 0.00 C ATOM 968 CG ASP A 63 6.561 -19.835 -1.827 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.470 -20.728 -0.959 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.636 -19.525 -2.382 1.00 0.00 O ATOM 0 H ASP A 63 2.920 -18.322 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 63 4.324 -20.898 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.452 -18.624 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.123 -18.281 -1.514 1.00 0.00 H new ATOM 975 N GLY A 64 3.456 -21.706 -0.672 1.00 0.00 N ATOM 976 CA GLY A 64 3.064 -22.205 0.633 1.00 0.00 C ATOM 977 C GLY A 64 3.773 -21.489 1.765 1.00 0.00 C ATOM 978 O GLY A 64 3.213 -21.319 2.848 1.00 0.00 O ATOM 0 H GLY A 64 3.549 -22.420 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.987 -22.091 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.280 -23.272 0.690 1.00 0.00 H new ATOM 982 N ASN A 65 5.009 -21.069 1.516 1.00 0.00 N ATOM 983 CA ASN A 65 5.796 -20.369 2.524 1.00 0.00 C ATOM 984 C ASN A 65 5.152 -19.034 2.887 1.00 0.00 C ATOM 985 O ASN A 65 5.072 -18.670 4.061 1.00 0.00 O ATOM 986 CB ASN A 65 7.222 -20.139 2.019 1.00 0.00 C ATOM 987 CG ASN A 65 7.953 -21.438 1.740 1.00 0.00 C ATOM 988 OD1 ASN A 65 7.665 -22.468 2.350 1.00 0.00 O ATOM 989 ND2 ASN A 65 8.905 -21.395 0.815 1.00 0.00 N ATOM 0 H ASN A 65 5.487 -21.201 0.625 1.00 0.00 H new ATOM 0 HA ASN A 65 5.830 -20.991 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.190 -19.540 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.778 -19.564 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.431 -22.238 0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.110 -20.519 0.334 1.00 0.00 H new ATOM 996 N PHE A 66 4.693 -18.309 1.872 1.00 0.00 N ATOM 997 CA PHE A 66 4.056 -17.015 2.084 1.00 0.00 C ATOM 998 C PHE A 66 2.596 -17.187 2.489 1.00 0.00 C ATOM 999 O PHE A 66 2.076 -16.436 3.316 1.00 0.00 O ATOM 1000 CB PHE A 66 4.148 -16.164 0.815 1.00 0.00 C ATOM 1001 CG PHE A 66 3.679 -14.750 1.006 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.342 -14.475 1.241 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.576 -13.695 0.952 1.00 0.00 C ATOM 1004 CE1 PHE A 66 1.908 -13.175 1.416 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.148 -12.393 1.128 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.812 -12.133 1.361 1.00 0.00 C ATOM 0 H PHE A 66 4.750 -18.596 0.895 1.00 0.00 H new ATOM 0 HA PHE A 66 4.581 -16.508 2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.182 -16.152 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.555 -16.632 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.630 -15.286 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.622 -13.893 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.862 -12.974 1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.857 -11.580 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.475 -11.116 1.500 1.00 0.00 H new ATOM 1016 N LEU A 67 1.938 -18.181 1.902 1.00 0.00 N ATOM 1017 CA LEU A 67 0.537 -18.453 2.201 1.00 0.00 C ATOM 1018 C LEU A 67 0.373 -18.960 3.630 1.00 0.00 C ATOM 1019 O LEU A 67 -0.432 -18.433 4.398 1.00 0.00 O ATOM 1020 CB LEU A 67 -0.025 -19.480 1.216 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.380 -18.952 -0.174 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -1.047 -20.039 -1.003 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.283 -17.731 -0.067 1.00 0.00 C ATOM 0 H LEU A 67 2.353 -18.812 1.216 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.018 -17.520 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.704 -20.282 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.920 -19.922 1.654 1.00 0.00 H new ATOM 0 HG LEU A 67 0.541 -18.655 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.293 -19.645 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.367 -20.884 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.960 -20.367 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.525 -17.369 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.202 -18.002 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.770 -16.946 0.489 1.00 0.00 H new ATOM 1035 N ARG A 68 1.144 -19.985 3.981 1.00 0.00 N ATOM 1036 CA ARG A 68 1.085 -20.562 5.319 1.00 0.00 C ATOM 1037 C ARG A 68 0.986 -19.469 6.379 1.00 0.00 C ATOM 1038 O ARG A 68 0.252 -19.605 7.359 1.00 0.00 O ATOM 1039 CB ARG A 68 2.319 -21.428 5.578 1.00 0.00 C ATOM 1040 CG ARG A 68 2.160 -22.868 5.119 1.00 0.00 C ATOM 1041 CD ARG A 68 3.193 -23.777 5.766 1.00 0.00 C ATOM 1042 NE ARG A 68 3.040 -25.167 5.344 1.00 0.00 N ATOM 1043 CZ ARG A 68 3.549 -26.197 6.011 1.00 0.00 C ATOM 1044 NH1 ARG A 68 4.240 -25.995 7.124 1.00 0.00 N ATOM 1045 NH2 ARG A 68 3.367 -27.433 5.564 1.00 0.00 N ATOM 0 H ARG A 68 1.816 -20.432 3.358 1.00 0.00 H new ATOM 0 HA ARG A 68 0.193 -21.185 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.176 -20.986 5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.542 -21.418 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.158 -23.221 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.258 -22.918 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.194 -23.429 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.102 -23.715 6.850 1.00 0.00 H new ATOM 0 HE ARG A 68 2.514 -25.357 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.382 -25.046 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.629 -26.788 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.836 -27.593 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.758 -28.223 6.077 1.00 0.00 H new ATOM 1059 N LEU A 69 1.728 -18.386 6.176 1.00 0.00 N ATOM 1060 CA LEU A 69 1.725 -17.269 7.114 1.00 0.00 C ATOM 1061 C LEU A 69 0.316 -16.711 7.291 1.00 0.00 C ATOM 1062 O LEU A 69 -0.107 -16.405 8.406 1.00 0.00 O ATOM 1063 CB LEU A 69 2.666 -16.166 6.628 1.00 0.00 C ATOM 1064 CG LEU A 69 4.009 -16.630 6.065 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.851 -15.436 5.639 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.755 -17.472 7.089 1.00 0.00 C ATOM 0 H LEU A 69 2.340 -18.258 5.370 1.00 0.00 H new ATOM 0 HA LEU A 69 2.075 -17.636 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.152 -15.590 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.858 -15.487 7.459 1.00 0.00 H new ATOM 0 HG LEU A 69 3.819 -17.247 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.803 -15.786 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.321 -14.873 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.032 -14.793 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.709 -17.793 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.934 -16.880 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.158 -18.347 7.345 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.407 -16.582 6.183 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.770 -16.063 6.215 1.00 0.00 C ATOM 1080 C HIS A 70 -2.784 -17.189 6.035 1.00 0.00 C ATOM 1081 O HIS A 70 -3.117 -17.584 4.918 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.962 -15.008 5.126 1.00 0.00 C ATOM 1083 CG HIS A 70 -1.151 -13.768 5.343 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.681 -12.601 5.850 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.161 -13.518 5.119 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.731 -11.686 5.928 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.396 -12.217 5.491 1.00 0.00 N ATOM 0 H HIS A 70 -0.072 -16.830 5.252 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.935 -15.602 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.697 -15.441 4.161 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.017 -14.738 5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.887 -14.212 4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.855 -10.675 6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.295 -11.739 5.438 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.288 -17.718 7.160 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.271 -18.805 7.153 1.00 0.00 C ATOM 1098 C PRO A 71 -5.633 -18.351 6.640 1.00 0.00 C ATOM 1099 O PRO A 71 -5.992 -17.179 6.755 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.362 -19.211 8.626 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.959 -17.992 9.381 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.937 -17.295 8.526 1.00 0.00 C ATOM 0 HA PRO A 71 -3.975 -19.618 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.373 -19.523 8.889 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.702 -20.050 8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.817 -17.347 9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.541 -18.255 10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.991 -16.212 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.922 -17.592 8.790 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.390 -19.286 6.074 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.705 -18.962 5.552 1.00 0.00 C ATOM 1112 C GLY A 72 -7.657 -18.486 4.114 1.00 0.00 C ATOM 1113 O GLY A 72 -8.672 -18.496 3.416 1.00 0.00 O ATOM 0 H GLY A 72 -6.116 -20.263 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.346 -19.841 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.158 -18.189 6.172 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.477 -18.068 3.670 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.301 -17.583 2.306 1.00 0.00 C ATOM 1119 C CYS A 73 -5.681 -18.660 1.422 1.00 0.00 C ATOM 1120 O CYS A 73 -5.356 -19.751 1.890 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.424 -16.331 2.296 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.006 -15.013 3.389 1.00 0.00 S ATOM 0 H CYS A 73 -5.628 -18.055 4.235 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.284 -17.332 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.411 -16.608 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.370 -15.946 1.278 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.198 -13.998 3.313 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.520 -18.347 0.140 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.941 -19.299 -0.790 1.00 0.00 C ATOM 1130 C GLY A 74 -4.188 -18.623 -1.918 1.00 0.00 C ATOM 1131 O GLY A 74 -3.946 -17.416 -1.896 1.00 0.00 O ATOM 0 H GLY A 74 -5.780 -17.451 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.264 -19.962 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.732 -19.922 -1.207 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.803 -19.410 -2.933 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.066 -18.902 -4.094 1.00 0.00 C ATOM 1137 C PRO A 75 -3.928 -18.011 -4.983 1.00 0.00 C ATOM 1138 O PRO A 75 -3.420 -17.118 -5.662 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.662 -20.174 -4.843 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.678 -21.188 -4.443 1.00 0.00 C ATOM 1141 CD PRO A 75 -4.057 -20.858 -3.026 1.00 0.00 C ATOM 0 HA PRO A 75 -2.222 -18.279 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.664 -20.016 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.656 -20.492 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.548 -21.149 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.271 -22.197 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.101 -21.097 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.457 -21.418 -2.309 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.233 -18.261 -4.975 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.166 -17.480 -5.780 1.00 0.00 C ATOM 1151 C HIS A 76 -6.715 -16.300 -4.984 1.00 0.00 C ATOM 1152 O HIS A 76 -7.592 -15.574 -5.454 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.316 -18.363 -6.266 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.653 -19.478 -5.325 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -7.825 -19.294 -3.969 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.853 -20.798 -5.552 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.113 -20.451 -3.402 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.137 -21.380 -4.341 1.00 0.00 N ATOM 0 H HIS A 76 -5.669 -18.998 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.626 -17.092 -6.644 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.201 -17.744 -6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.055 -18.784 -7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.799 -21.299 -6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.298 -20.611 -2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.334 -22.369 -4.191 1.00 0.00 H new ATOM 1167 N THR A 77 -6.196 -16.115 -3.774 1.00 0.00 N ATOM 1168 CA THR A 77 -6.635 -15.025 -2.912 1.00 0.00 C ATOM 1169 C THR A 77 -5.825 -13.760 -3.169 1.00 0.00 C ATOM 1170 O THR A 77 -4.604 -13.748 -3.010 1.00 0.00 O ATOM 1171 CB THR A 77 -6.517 -15.403 -1.424 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.353 -16.530 -1.137 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.910 -14.233 -0.535 1.00 0.00 C ATOM 0 H THR A 77 -5.471 -16.707 -3.369 1.00 0.00 H new ATOM 0 HA THR A 77 -7.682 -14.837 -3.149 1.00 0.00 H new ATOM 0 HB THR A 77 -5.478 -15.661 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.526 -16.572 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.819 -14.524 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.252 -13.387 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.941 -13.948 -0.743 1.00 0.00 H new ATOM 1181 N THR A 78 -6.512 -12.693 -3.567 1.00 0.00 N ATOM 1182 CA THR A 78 -5.856 -11.422 -3.847 1.00 0.00 C ATOM 1183 C THR A 78 -5.328 -10.783 -2.568 1.00 0.00 C ATOM 1184 O THR A 78 -6.020 -10.744 -1.550 1.00 0.00 O ATOM 1185 CB THR A 78 -6.814 -10.437 -4.543 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.409 -11.057 -5.688 1.00 0.00 O ATOM 1187 CG2 THR A 78 -6.078 -9.175 -4.967 1.00 0.00 C ATOM 0 H THR A 78 -7.523 -12.684 -3.703 1.00 0.00 H new ATOM 0 HA THR A 78 -5.021 -11.637 -4.514 1.00 0.00 H new ATOM 0 HB THR A 78 -7.595 -10.162 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.017 -10.424 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.775 -8.494 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.653 -8.689 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.278 -9.436 -5.660 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.099 -10.281 -2.626 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.478 -9.643 -1.471 1.00 0.00 C ATOM 1197 C PHE A 79 -3.137 -8.187 -1.773 1.00 0.00 C ATOM 1198 O PHE A 79 -2.349 -7.896 -2.673 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.214 -10.401 -1.062 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.473 -11.822 -0.649 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.460 -12.119 0.277 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.732 -12.860 -1.189 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.700 -13.425 0.659 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.968 -14.169 -0.811 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.954 -14.451 0.113 1.00 0.00 C ATOM 0 H PHE A 79 -3.513 -10.304 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.190 -9.667 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.511 -10.396 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.735 -9.873 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.048 -11.321 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.961 -12.645 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.470 -13.643 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.382 -14.969 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.142 -15.473 0.409 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.736 -7.275 -1.014 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.498 -5.849 -1.200 1.00 0.00 C ATOM 1217 C ARG A 80 -2.714 -5.271 -0.026 1.00 0.00 C ATOM 1218 O ARG A 80 -3.175 -5.299 1.115 1.00 0.00 O ATOM 1219 CB ARG A 80 -4.825 -5.105 -1.356 1.00 0.00 C ATOM 1220 CG ARG A 80 -4.662 -3.614 -1.606 1.00 0.00 C ATOM 1221 CD ARG A 80 -5.965 -2.981 -2.067 1.00 0.00 C ATOM 1222 NE ARG A 80 -6.227 -3.233 -3.481 1.00 0.00 N ATOM 1223 CZ ARG A 80 -7.184 -2.623 -4.172 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.965 -1.729 -3.581 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -7.360 -2.906 -5.456 1.00 0.00 N ATOM 0 H ARG A 80 -4.390 -7.499 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.908 -5.720 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.383 -5.544 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.422 -5.251 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.322 -3.126 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.891 -3.452 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.789 -3.373 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.927 -1.906 -1.892 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.643 -3.915 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.832 -1.508 -2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.699 -1.262 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.760 -3.593 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.095 -2.437 -5.985 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.527 -4.749 -0.314 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.678 -4.165 0.719 1.00 0.00 C ATOM 1241 C TRP A 81 -0.624 -2.647 0.584 1.00 0.00 C ATOM 1242 O TRP A 81 0.097 -2.116 -0.260 1.00 0.00 O ATOM 1243 CB TRP A 81 0.733 -4.747 0.637 1.00 0.00 C ATOM 1244 CG TRP A 81 1.567 -4.458 1.849 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.130 -4.357 3.139 1.00 0.00 C ATOM 1246 CD2 TRP A 81 2.980 -4.229 1.883 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.186 -4.080 3.973 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.332 -3.997 3.227 1.00 0.00 C ATOM 1249 CE3 TRP A 81 3.982 -4.200 0.909 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.643 -3.739 3.618 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.282 -3.943 1.299 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.604 -3.716 2.644 1.00 0.00 C ATOM 0 H TRP A 81 -1.131 -4.718 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 81 -1.108 -4.410 1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.666 -5.826 0.500 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.233 -4.345 -0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.105 -4.477 3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.126 -3.956 4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.744 -4.375 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.893 -3.563 4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.064 -3.917 0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.630 -3.519 2.917 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.390 -1.955 1.421 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.429 -0.498 1.394 1.00 0.00 C ATOM 1265 C GLN A 82 -0.498 0.091 2.449 1.00 0.00 C ATOM 1266 O GLN A 82 -0.535 -0.304 3.614 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.857 0.001 1.622 1.00 0.00 C ATOM 1268 CG GLN A 82 -3.043 1.477 1.312 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.458 1.955 1.573 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.863 2.131 2.722 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.218 2.167 0.505 1.00 0.00 N ATOM 0 H GLN A 82 -1.992 -2.380 2.126 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.090 -0.170 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.539 -0.581 1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.135 -0.181 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.349 2.061 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.789 1.660 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.841 2.008 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.179 2.489 0.619 1.00 0.00 H new ATOM 1280 N VAL A 83 0.337 1.038 2.033 1.00 0.00 N ATOM 1281 CA VAL A 83 1.277 1.682 2.942 1.00 0.00 C ATOM 1282 C VAL A 83 1.055 3.190 2.986 1.00 0.00 C ATOM 1283 O VAL A 83 0.950 3.844 1.948 1.00 0.00 O ATOM 1284 CB VAL A 83 2.735 1.401 2.533 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.697 2.184 3.414 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.030 -0.090 2.601 1.00 0.00 C ATOM 0 H VAL A 83 0.381 1.376 1.072 1.00 0.00 H new ATOM 0 HA VAL A 83 1.097 1.262 3.932 1.00 0.00 H new ATOM 0 HB VAL A 83 2.875 1.729 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.722 1.973 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.500 3.251 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.559 1.890 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.065 -0.270 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.874 -0.446 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.364 -0.624 1.924 1.00 0.00 H new ATOM 1296 N LYS A 84 0.983 3.737 4.194 1.00 0.00 N ATOM 1297 CA LYS A 84 0.774 5.168 4.376 1.00 0.00 C ATOM 1298 C LYS A 84 2.105 5.896 4.537 1.00 0.00 C ATOM 1299 O LYS A 84 2.768 5.778 5.569 1.00 0.00 O ATOM 1300 CB LYS A 84 -0.111 5.425 5.597 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.736 6.809 5.616 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.882 6.891 6.611 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.597 8.231 6.529 1.00 0.00 C ATOM 1304 NZ LYS A 84 -3.666 8.352 7.558 1.00 0.00 N ATOM 0 H LYS A 84 1.066 3.210 5.063 1.00 0.00 H new ATOM 0 HA LYS A 84 0.275 5.552 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.904 4.677 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.484 5.292 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.023 7.548 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.100 7.058 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.591 6.086 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.500 6.743 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.875 9.037 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.032 8.350 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.130 9.279 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.369 7.598 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.247 8.264 8.506 1.00 0.00 H new ATOM 1318 N LEU A 85 2.490 6.649 3.513 1.00 0.00 N ATOM 1319 CA LEU A 85 3.742 7.398 3.542 1.00 0.00 C ATOM 1320 C LEU A 85 3.561 8.734 4.256 1.00 0.00 C ATOM 1321 O LEU A 85 2.852 9.616 3.773 1.00 0.00 O ATOM 1322 CB LEU A 85 4.252 7.632 2.119 1.00 0.00 C ATOM 1323 CG LEU A 85 4.156 6.440 1.166 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.065 6.914 -0.276 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.348 5.513 1.350 1.00 0.00 C ATOM 0 H LEU A 85 1.954 6.757 2.652 1.00 0.00 H new ATOM 0 HA LEU A 85 4.476 6.810 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.694 8.463 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.295 7.943 2.175 1.00 0.00 H new ATOM 0 HG LEU A 85 3.249 5.884 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.997 6.051 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.179 7.537 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.953 7.494 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.263 4.670 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.269 6.058 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.368 5.145 2.376 1.00 0.00 H new ATOM 1337 N ARG A 86 4.209 8.875 5.407 1.00 0.00 N ATOM 1338 CA ARG A 86 4.121 10.104 6.188 1.00 0.00 C ATOM 1339 C ARG A 86 4.319 11.328 5.298 1.00 0.00 C ATOM 1340 O ARG A 86 3.610 12.324 5.430 1.00 0.00 O ATOM 1341 CB ARG A 86 5.164 10.099 7.307 1.00 0.00 C ATOM 1342 CG ARG A 86 4.692 9.410 8.576 1.00 0.00 C ATOM 1343 CD ARG A 86 4.018 10.390 9.524 1.00 0.00 C ATOM 1344 NE ARG A 86 3.008 11.200 8.848 1.00 0.00 N ATOM 1345 CZ ARG A 86 1.752 10.808 8.669 1.00 0.00 C ATOM 1346 NH1 ARG A 86 1.353 9.624 9.113 1.00 0.00 N ATOM 1347 NH2 ARG A 86 0.891 11.602 8.043 1.00 0.00 N ATOM 0 H ARG A 86 4.801 8.154 5.820 1.00 0.00 H new ATOM 0 HA ARG A 86 3.126 10.154 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.066 9.604 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.437 11.128 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.995 8.612 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.541 8.944 9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.553 9.841 10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.771 11.043 9.965 1.00 0.00 H new ATOM 0 HE ARG A 86 3.282 12.117 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.012 9.011 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.387 9.326 8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.194 12.513 7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.074 11.301 7.906 1.00 0.00 H new ATOM 1361 N ASN A 87 5.290 11.245 4.394 1.00 0.00 N ATOM 1362 CA ASN A 87 5.582 12.346 3.484 1.00 0.00 C ATOM 1363 C ASN A 87 5.099 12.028 2.072 1.00 0.00 C ATOM 1364 O ASN A 87 4.947 10.863 1.703 1.00 0.00 O ATOM 1365 CB ASN A 87 7.084 12.636 3.467 1.00 0.00 C ATOM 1366 CG ASN A 87 7.413 13.945 2.774 1.00 0.00 C ATOM 1367 OD1 ASN A 87 6.819 14.982 3.068 1.00 0.00 O ATOM 1368 ND2 ASN A 87 8.363 13.901 1.848 1.00 0.00 N ATOM 0 H ASN A 87 5.887 10.427 4.272 1.00 0.00 H new ATOM 0 HA ASN A 87 5.052 13.229 3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.457 12.666 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.603 11.821 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.627 14.750 1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.829 13.019 1.637 1.00 0.00 H new ATOM 1375 N LEU A 88 4.859 13.072 1.286 1.00 0.00 N ATOM 1376 CA LEU A 88 4.393 12.905 -0.087 1.00 0.00 C ATOM 1377 C LEU A 88 5.453 12.217 -0.941 1.00 0.00 C ATOM 1378 O LEU A 88 6.593 12.043 -0.512 1.00 0.00 O ATOM 1379 CB LEU A 88 4.034 14.263 -0.693 1.00 0.00 C ATOM 1380 CG LEU A 88 2.609 14.755 -0.441 1.00 0.00 C ATOM 1381 CD1 LEU A 88 2.383 16.102 -1.109 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.596 13.734 -0.940 1.00 0.00 C ATOM 0 H LEU A 88 4.979 14.043 1.575 1.00 0.00 H new ATOM 0 HA LEU A 88 3.503 12.276 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.728 15.007 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.194 14.211 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 88 2.473 14.878 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.363 16.436 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.085 16.831 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.539 16.006 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.587 14.101 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.733 13.579 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.742 12.790 -0.415 1.00 0.00 H new ATOM 1394 N ILE A 89 5.068 11.831 -2.153 1.00 0.00 N ATOM 1395 CA ILE A 89 5.987 11.165 -3.069 1.00 0.00 C ATOM 1396 C ILE A 89 5.585 11.405 -4.520 1.00 0.00 C ATOM 1397 O ILE A 89 4.555 12.018 -4.796 1.00 0.00 O ATOM 1398 CB ILE A 89 6.043 9.649 -2.807 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.680 9.011 -3.082 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.484 9.374 -1.377 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.766 7.565 -3.518 1.00 0.00 C ATOM 0 H ILE A 89 4.127 11.968 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 89 6.974 11.592 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 89 6.774 9.205 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.070 9.075 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.168 9.585 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.519 8.298 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.474 9.799 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.775 9.828 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.762 7.178 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.349 7.496 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.249 6.978 -2.737 1.00 0.00 H new ATOM 1413 N GLU A 90 6.405 10.914 -5.444 1.00 0.00 N ATOM 1414 CA GLU A 90 6.134 11.074 -6.868 1.00 0.00 C ATOM 1415 C GLU A 90 5.853 9.725 -7.524 1.00 0.00 C ATOM 1416 O GLU A 90 6.758 9.028 -7.982 1.00 0.00 O ATOM 1417 CB GLU A 90 7.316 11.754 -7.562 1.00 0.00 C ATOM 1418 CG GLU A 90 7.230 13.271 -7.564 1.00 0.00 C ATOM 1419 CD GLU A 90 8.594 13.932 -7.558 1.00 0.00 C ATOM 1420 OE1 GLU A 90 9.502 13.412 -6.876 1.00 0.00 O ATOM 1421 OE2 GLU A 90 8.754 14.970 -8.233 1.00 0.00 O ATOM 0 H GLU A 90 7.262 10.403 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 90 5.249 11.702 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.239 11.452 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.374 11.400 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.675 13.599 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.667 13.600 -6.691 1.00 0.00 H new ATOM 1428 N PRO A 91 4.567 9.346 -7.568 1.00 0.00 N ATOM 1429 CA PRO A 91 4.136 8.078 -8.165 1.00 0.00 C ATOM 1430 C PRO A 91 4.293 8.067 -9.681 1.00 0.00 C ATOM 1431 O PRO A 91 4.403 7.007 -10.295 1.00 0.00 O ATOM 1432 CB PRO A 91 2.656 7.990 -7.780 1.00 0.00 C ATOM 1433 CG PRO A 91 2.232 9.404 -7.583 1.00 0.00 C ATOM 1434 CD PRO A 91 3.435 10.126 -7.041 1.00 0.00 C ATOM 0 HA PRO A 91 4.734 7.238 -7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.071 7.507 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.517 7.405 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.902 9.847 -8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.394 9.467 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.468 11.162 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.434 10.147 -5.951 1.00 0.00 H new ATOM 1442 N GLU A 92 4.304 9.255 -10.279 1.00 0.00 N ATOM 1443 CA GLU A 92 4.449 9.380 -11.725 1.00 0.00 C ATOM 1444 C GLU A 92 5.811 8.866 -12.182 1.00 0.00 C ATOM 1445 O GLU A 92 6.025 8.620 -13.369 1.00 0.00 O ATOM 1446 CB GLU A 92 4.272 10.839 -12.152 1.00 0.00 C ATOM 1447 CG GLU A 92 2.870 11.376 -11.920 1.00 0.00 C ATOM 1448 CD GLU A 92 2.644 12.721 -12.582 1.00 0.00 C ATOM 1449 OE1 GLU A 92 3.080 13.744 -12.014 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.029 12.750 -13.670 1.00 0.00 O ATOM 0 H GLU A 92 4.214 10.143 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 92 3.675 8.774 -12.196 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.984 11.458 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.517 10.931 -13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.143 10.660 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.693 11.468 -10.848 1.00 0.00 H new ATOM 1457 N GLN A 93 6.726 8.706 -11.232 1.00 0.00 N ATOM 1458 CA GLN A 93 8.067 8.222 -11.538 1.00 0.00 C ATOM 1459 C GLN A 93 8.317 6.865 -10.889 1.00 0.00 C ATOM 1460 O GLN A 93 9.280 6.174 -11.224 1.00 0.00 O ATOM 1461 CB GLN A 93 9.116 9.229 -11.062 1.00 0.00 C ATOM 1462 CG GLN A 93 8.708 10.678 -11.271 1.00 0.00 C ATOM 1463 CD GLN A 93 9.899 11.602 -11.431 1.00 0.00 C ATOM 1464 OE1 GLN A 93 10.896 11.247 -12.060 1.00 0.00 O ATOM 1465 NE2 GLN A 93 9.802 12.797 -10.860 1.00 0.00 N ATOM 0 H GLN A 93 6.564 8.904 -10.245 1.00 0.00 H new ATOM 0 HA GLN A 93 8.147 8.108 -12.619 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.311 9.064 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.051 9.044 -11.590 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.076 10.749 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.108 11.008 -10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.957 13.050 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.572 13.461 -10.934 1.00 0.00 H new ATOM 1474 N CYS A 94 7.445 6.489 -9.960 1.00 0.00 N ATOM 1475 CA CYS A 94 7.572 5.214 -9.264 1.00 0.00 C ATOM 1476 C CYS A 94 7.447 4.047 -10.238 1.00 0.00 C ATOM 1477 O CYS A 94 6.826 4.169 -11.295 1.00 0.00 O ATOM 1478 CB CYS A 94 6.507 5.097 -8.172 1.00 0.00 C ATOM 1479 SG CYS A 94 6.805 6.154 -6.735 1.00 0.00 S ATOM 0 H CYS A 94 6.643 7.049 -9.672 1.00 0.00 H new ATOM 0 HA CYS A 94 8.560 5.177 -8.805 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.536 5.347 -8.598 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.453 4.060 -7.842 1.00 0.00 H new ATOM 0 HG CYS A 94 6.857 7.397 -7.114 1.00 0.00 H new ATOM 1485 N THR A 95 8.044 2.915 -9.878 1.00 0.00 N ATOM 1486 CA THR A 95 8.003 1.727 -10.721 1.00 0.00 C ATOM 1487 C THR A 95 7.905 0.459 -9.880 1.00 0.00 C ATOM 1488 O THR A 95 8.402 0.409 -8.755 1.00 0.00 O ATOM 1489 CB THR A 95 9.247 1.636 -11.624 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.433 1.603 -10.822 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.309 2.817 -12.581 1.00 0.00 C ATOM 0 H THR A 95 8.562 2.796 -9.007 1.00 0.00 H new ATOM 0 HA THR A 95 7.115 1.814 -11.347 1.00 0.00 H new ATOM 0 HB THR A 95 9.178 0.718 -12.208 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.220 1.543 -11.404 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.196 2.731 -13.208 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.419 2.823 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.357 3.745 -12.011 1.00 0.00 H new ATOM 1499 N PHE A 96 7.262 -0.564 -10.433 1.00 0.00 N ATOM 1500 CA PHE A 96 7.099 -1.833 -9.734 1.00 0.00 C ATOM 1501 C PHE A 96 7.483 -3.003 -10.634 1.00 0.00 C ATOM 1502 O PHE A 96 6.961 -3.147 -11.740 1.00 0.00 O ATOM 1503 CB PHE A 96 5.654 -1.994 -9.257 1.00 0.00 C ATOM 1504 CG PHE A 96 4.704 -2.395 -10.348 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.177 -1.446 -11.209 1.00 0.00 C ATOM 1506 CD2 PHE A 96 4.337 -3.721 -10.513 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.301 -1.813 -12.214 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.462 -4.094 -11.517 1.00 0.00 C ATOM 1509 CZ PHE A 96 2.945 -3.138 -12.369 1.00 0.00 C ATOM 0 H PHE A 96 6.845 -0.539 -11.364 1.00 0.00 H new ATOM 0 HA PHE A 96 7.762 -1.831 -8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.622 -2.743 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.317 -1.054 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.453 -0.408 -11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.739 -4.472 -9.850 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.895 -1.064 -12.877 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.184 -5.131 -11.634 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.263 -3.426 -13.155 1.00 0.00 H new ATOM 1519 N CYS A 97 8.398 -3.837 -10.152 1.00 0.00 N ATOM 1520 CA CYS A 97 8.854 -4.995 -10.913 1.00 0.00 C ATOM 1521 C CYS A 97 9.265 -6.130 -9.981 1.00 0.00 C ATOM 1522 O CYS A 97 10.033 -5.928 -9.040 1.00 0.00 O ATOM 1523 CB CYS A 97 10.027 -4.609 -11.815 1.00 0.00 C ATOM 1524 SG CYS A 97 10.162 -5.605 -13.318 1.00 0.00 S ATOM 0 H CYS A 97 8.839 -3.733 -9.238 1.00 0.00 H new ATOM 0 HA CYS A 97 8.027 -5.340 -11.533 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.926 -3.560 -12.095 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.953 -4.700 -11.247 1.00 0.00 H new ATOM 0 HG CYS A 97 11.182 -5.201 -14.016 1.00 0.00 H new ATOM 1530 N PHE A 98 8.748 -7.324 -10.248 1.00 0.00 N ATOM 1531 CA PHE A 98 9.059 -8.492 -9.431 1.00 0.00 C ATOM 1532 C PHE A 98 10.475 -8.989 -9.710 1.00 0.00 C ATOM 1533 O PHE A 98 11.057 -8.690 -10.753 1.00 0.00 O ATOM 1534 CB PHE A 98 8.051 -9.612 -9.700 1.00 0.00 C ATOM 1535 CG PHE A 98 6.620 -9.169 -9.592 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.995 -8.535 -10.654 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.900 -9.385 -8.428 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.678 -8.127 -10.558 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.583 -8.979 -8.327 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.972 -8.348 -9.393 1.00 0.00 C ATOM 0 H PHE A 98 8.112 -7.509 -11.023 1.00 0.00 H new ATOM 0 HA PHE A 98 8.995 -8.199 -8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.224 -10.014 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.226 -10.424 -8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.543 -8.358 -11.567 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.373 -9.876 -7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.202 -7.636 -11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.032 -9.155 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.943 -8.028 -9.315 1.00 0.00 H new ATOM 1550 N THR A 99 11.024 -9.750 -8.769 1.00 0.00 N ATOM 1551 CA THR A 99 12.372 -10.288 -8.911 1.00 0.00 C ATOM 1552 C THR A 99 12.383 -11.801 -8.722 1.00 0.00 C ATOM 1553 O THR A 99 11.331 -12.428 -8.599 1.00 0.00 O ATOM 1554 CB THR A 99 13.341 -9.649 -7.899 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.419 -10.456 -6.719 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.889 -8.244 -7.530 1.00 0.00 C ATOM 0 H THR A 99 10.556 -10.008 -7.900 1.00 0.00 H new ATOM 0 HA THR A 99 12.703 -10.048 -9.921 1.00 0.00 H new ATOM 0 HB THR A 99 14.326 -9.587 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 99 14.294 -10.895 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.589 -7.813 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.859 -7.624 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.895 -8.287 -7.085 1.00 0.00 H new ATOM 1564 N ALA A 100 13.578 -12.381 -8.700 1.00 0.00 N ATOM 1565 CA ALA A 100 13.726 -13.820 -8.524 1.00 0.00 C ATOM 1566 C ALA A 100 12.731 -14.352 -7.498 1.00 0.00 C ATOM 1567 O ALA A 100 11.734 -14.981 -7.853 1.00 0.00 O ATOM 1568 CB ALA A 100 15.149 -14.157 -8.106 1.00 0.00 C ATOM 0 H ALA A 100 14.458 -11.876 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 100 13.516 -14.302 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.245 -15.235 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.844 -13.820 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.380 -13.658 -7.165 1.00 0.00 H new ATOM 1574 N SER A 101 13.009 -14.097 -6.223 1.00 0.00 N ATOM 1575 CA SER A 101 12.141 -14.554 -5.145 1.00 0.00 C ATOM 1576 C SER A 101 11.681 -13.382 -4.284 1.00 0.00 C ATOM 1577 O SER A 101 11.207 -13.569 -3.163 1.00 0.00 O ATOM 1578 CB SER A 101 12.868 -15.584 -4.278 1.00 0.00 C ATOM 1579 OG SER A 101 14.204 -15.184 -4.023 1.00 0.00 O ATOM 0 H SER A 101 13.829 -13.576 -5.912 1.00 0.00 H new ATOM 0 HA SER A 101 11.263 -15.021 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.336 -15.710 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.864 -16.553 -4.778 1.00 0.00 H new ATOM 0 HG SER A 101 14.647 -15.858 -3.466 1.00 0.00 H new ATOM 1585 N ARG A 102 11.823 -12.173 -4.816 1.00 0.00 N ATOM 1586 CA ARG A 102 11.424 -10.969 -4.097 1.00 0.00 C ATOM 1587 C ARG A 102 10.890 -9.912 -5.060 1.00 0.00 C ATOM 1588 O ARG A 102 11.070 -10.018 -6.274 1.00 0.00 O ATOM 1589 CB ARG A 102 12.606 -10.405 -3.308 1.00 0.00 C ATOM 1590 CG ARG A 102 13.632 -9.691 -4.173 1.00 0.00 C ATOM 1591 CD ARG A 102 14.497 -8.750 -3.351 1.00 0.00 C ATOM 1592 NE ARG A 102 15.582 -8.173 -4.140 1.00 0.00 N ATOM 1593 CZ ARG A 102 16.662 -8.852 -4.511 1.00 0.00 C ATOM 1594 NH1 ARG A 102 16.799 -10.125 -4.166 1.00 0.00 N ATOM 1595 NH2 ARG A 102 17.606 -8.258 -5.229 1.00 0.00 N ATOM 0 H ARG A 102 12.212 -12.001 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 102 10.628 -11.238 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.231 -9.711 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.097 -11.219 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.264 -10.426 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 102 13.122 -9.128 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.878 -7.949 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.914 -9.291 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 102 15.507 -7.196 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.074 -10.585 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.629 -10.644 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.503 -7.279 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.435 -8.780 -5.513 1.00 0.00 H new ATOM 1609 N ILE A 103 10.235 -8.896 -4.510 1.00 0.00 N ATOM 1610 CA ILE A 103 9.676 -7.820 -5.320 1.00 0.00 C ATOM 1611 C ILE A 103 10.472 -6.531 -5.146 1.00 0.00 C ATOM 1612 O ILE A 103 10.945 -6.224 -4.052 1.00 0.00 O ATOM 1613 CB ILE A 103 8.202 -7.553 -4.962 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.444 -8.873 -4.811 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.550 -6.680 -6.024 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.156 -8.744 -4.028 1.00 0.00 C ATOM 0 H ILE A 103 10.078 -8.795 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 103 9.736 -8.143 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 103 8.164 -7.024 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.220 -9.269 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.089 -9.599 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.509 -6.500 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.078 -5.729 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.595 -7.185 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.672 -9.718 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.375 -8.378 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.492 -8.043 -4.533 1.00 0.00 H new ATOM 1628 N ASP A 104 10.614 -5.779 -6.232 1.00 0.00 N ATOM 1629 CA ASP A 104 11.350 -4.521 -6.200 1.00 0.00 C ATOM 1630 C ASP A 104 10.441 -3.350 -6.561 1.00 0.00 C ATOM 1631 O ASP A 104 9.828 -3.334 -7.628 1.00 0.00 O ATOM 1632 CB ASP A 104 12.538 -4.575 -7.162 1.00 0.00 C ATOM 1633 CG ASP A 104 13.779 -5.162 -6.517 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.632 -6.000 -5.603 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.896 -4.782 -6.925 1.00 0.00 O ATOM 0 H ASP A 104 10.229 -6.019 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 104 11.720 -4.372 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.269 -5.171 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.759 -3.569 -7.519 1.00 0.00 H new ATOM 1640 N ILE A 105 10.358 -2.374 -5.663 1.00 0.00 N ATOM 1641 CA ILE A 105 9.524 -1.200 -5.887 1.00 0.00 C ATOM 1642 C ILE A 105 10.312 0.086 -5.662 1.00 0.00 C ATOM 1643 O ILE A 105 10.700 0.400 -4.536 1.00 0.00 O ATOM 1644 CB ILE A 105 8.291 -1.201 -4.964 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.459 -2.465 -5.190 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.449 0.044 -5.204 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.714 -2.926 -3.957 1.00 0.00 C ATOM 0 H ILE A 105 10.858 -2.373 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 105 9.192 -1.243 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 105 8.630 -1.192 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.742 -2.280 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.115 -3.267 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.581 0.029 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.046 0.932 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.116 0.063 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.146 -3.826 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.427 -3.143 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.032 -2.141 -3.629 1.00 0.00 H new ATOM 1659 N CYS A 106 10.545 0.827 -6.740 1.00 0.00 N ATOM 1660 CA CYS A 106 11.287 2.080 -6.661 1.00 0.00 C ATOM 1661 C CYS A 106 10.357 3.242 -6.324 1.00 0.00 C ATOM 1662 O CYS A 106 9.477 3.595 -7.110 1.00 0.00 O ATOM 1663 CB CYS A 106 12.008 2.355 -7.981 1.00 0.00 C ATOM 1664 SG CYS A 106 13.367 3.539 -7.848 1.00 0.00 S ATOM 0 H CYS A 106 10.231 0.582 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 106 12.026 1.986 -5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.397 1.415 -8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.285 2.728 -8.706 1.00 0.00 H new ATOM 0 HG CYS A 106 13.915 3.703 -9.015 1.00 0.00 H new ATOM 1670 N LEU A 107 10.556 3.831 -5.150 1.00 0.00 N ATOM 1671 CA LEU A 107 9.735 4.952 -4.708 1.00 0.00 C ATOM 1672 C LEU A 107 10.510 6.263 -4.795 1.00 0.00 C ATOM 1673 O LEU A 107 11.504 6.456 -4.094 1.00 0.00 O ATOM 1674 CB LEU A 107 9.256 4.724 -3.273 1.00 0.00 C ATOM 1675 CG LEU A 107 8.159 3.675 -3.090 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.195 3.105 -1.680 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.793 4.273 -3.391 1.00 0.00 C ATOM 0 H LEU A 107 11.279 3.551 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 107 8.870 5.019 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.114 4.433 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.893 5.673 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 107 8.340 2.862 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.407 2.360 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.164 2.638 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.040 3.908 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.025 3.512 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.603 5.105 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.771 4.631 -4.420 1.00 0.00 H new ATOM 1689 N ARG A 108 10.047 7.162 -5.658 1.00 0.00 N ATOM 1690 CA ARG A 108 10.697 8.455 -5.836 1.00 0.00 C ATOM 1691 C ARG A 108 10.049 9.515 -4.950 1.00 0.00 C ATOM 1692 O ARG A 108 8.954 9.999 -5.241 1.00 0.00 O ATOM 1693 CB ARG A 108 10.626 8.887 -7.302 1.00 0.00 C ATOM 1694 CG ARG A 108 11.115 10.306 -7.542 1.00 0.00 C ATOM 1695 CD ARG A 108 12.633 10.375 -7.576 1.00 0.00 C ATOM 1696 NE ARG A 108 13.167 10.055 -8.897 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.246 10.935 -9.890 1.00 0.00 C ATOM 1698 NH1 ARG A 108 12.828 12.180 -9.712 1.00 0.00 N ATOM 1699 NH2 ARG A 108 13.744 10.568 -11.064 1.00 0.00 N ATOM 0 H ARG A 108 9.225 7.019 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 108 11.742 8.352 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.221 8.200 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.596 8.803 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.712 10.676 -8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.738 10.960 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.957 11.375 -7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.044 9.682 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 108 13.497 9.105 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.444 12.465 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.890 12.853 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.066 9.610 -11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.805 11.243 -11.826 1.00 0.00 H new ATOM 1713 N LYS A 109 10.731 9.872 -3.868 1.00 0.00 N ATOM 1714 CA LYS A 109 10.224 10.875 -2.939 1.00 0.00 C ATOM 1715 C LYS A 109 10.307 12.271 -3.547 1.00 0.00 C ATOM 1716 O LYS A 109 10.982 12.480 -4.556 1.00 0.00 O ATOM 1717 CB LYS A 109 11.013 10.831 -1.628 1.00 0.00 C ATOM 1718 CG LYS A 109 11.078 9.448 -1.004 1.00 0.00 C ATOM 1719 CD LYS A 109 11.792 9.474 0.337 1.00 0.00 C ATOM 1720 CE LYS A 109 13.284 9.718 0.169 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.051 9.322 1.383 1.00 0.00 N ATOM 0 H LYS A 109 11.638 9.481 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 109 9.178 10.648 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.027 11.186 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.558 11.520 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.068 9.060 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.596 8.767 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.363 10.255 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.633 8.528 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.649 9.156 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.458 10.773 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.063 9.504 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.720 9.876 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.906 8.309 1.570 1.00 0.00 H new ATOM 1735 N ARG A 110 9.618 13.224 -2.928 1.00 0.00 N ATOM 1736 CA ARG A 110 9.615 14.600 -3.409 1.00 0.00 C ATOM 1737 C ARG A 110 10.935 15.293 -3.084 1.00 0.00 C ATOM 1738 O ARG A 110 11.688 15.665 -3.982 1.00 0.00 O ATOM 1739 CB ARG A 110 8.452 15.377 -2.787 1.00 0.00 C ATOM 1740 CG ARG A 110 7.162 15.284 -3.586 1.00 0.00 C ATOM 1741 CD ARG A 110 6.162 16.345 -3.154 1.00 0.00 C ATOM 1742 NE ARG A 110 6.489 17.659 -3.700 1.00 0.00 N ATOM 1743 CZ ARG A 110 6.393 17.964 -4.989 1.00 0.00 C ATOM 1744 NH1 ARG A 110 5.982 17.053 -5.860 1.00 0.00 N ATOM 1745 NH2 ARG A 110 6.709 19.183 -5.409 1.00 0.00 N ATOM 0 H ARG A 110 9.055 13.068 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 110 9.493 14.580 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.273 15.002 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.736 16.425 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.381 15.399 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.723 14.295 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 110 5.163 16.056 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.139 16.400 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 110 6.809 18.383 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.739 16.115 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.909 17.290 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.026 19.886 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.635 19.416 -6.399 1.00 0.00 H new ATOM 1759 N GLN A 111 11.206 15.463 -1.794 1.00 0.00 N ATOM 1760 CA GLN A 111 12.434 16.112 -1.351 1.00 0.00 C ATOM 1761 C GLN A 111 13.292 15.153 -0.532 1.00 0.00 C ATOM 1762 O GLN A 111 12.854 14.057 -0.182 1.00 0.00 O ATOM 1763 CB GLN A 111 12.109 17.357 -0.524 1.00 0.00 C ATOM 1764 CG GLN A 111 11.738 18.567 -1.366 1.00 0.00 C ATOM 1765 CD GLN A 111 11.129 19.685 -0.544 1.00 0.00 C ATOM 1766 OE1 GLN A 111 11.624 20.022 0.532 1.00 0.00 O ATOM 1767 NE2 GLN A 111 10.048 20.269 -1.048 1.00 0.00 N ATOM 0 H GLN A 111 10.592 15.160 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 111 12.997 16.409 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 111 11.285 17.129 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.970 17.606 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.628 18.938 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.032 18.264 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.671 19.958 -1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.595 21.028 -0.540 1.00 0.00 H new ATOM 1776 N SER A 112 14.516 15.573 -0.229 1.00 0.00 N ATOM 1777 CA SER A 112 15.438 14.750 0.545 1.00 0.00 C ATOM 1778 C SER A 112 15.347 15.084 2.031 1.00 0.00 C ATOM 1779 O SER A 112 16.171 15.829 2.561 1.00 0.00 O ATOM 1780 CB SER A 112 16.872 14.951 0.052 1.00 0.00 C ATOM 1781 OG SER A 112 17.792 14.225 0.850 1.00 0.00 O ATOM 0 H SER A 112 14.892 16.479 -0.508 1.00 0.00 H new ATOM 0 HA SER A 112 15.158 13.706 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.952 14.628 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.123 16.011 0.076 1.00 0.00 H new ATOM 0 HG SER A 112 18.701 14.369 0.514 1.00 0.00 H new ATOM 1787 N GLN A 113 14.339 14.527 2.696 1.00 0.00 N ATOM 1788 CA GLN A 113 14.140 14.767 4.120 1.00 0.00 C ATOM 1789 C GLN A 113 13.999 13.451 4.879 1.00 0.00 C ATOM 1790 O GLN A 113 13.784 12.398 4.279 1.00 0.00 O ATOM 1791 CB GLN A 113 12.900 15.634 4.345 1.00 0.00 C ATOM 1792 CG GLN A 113 11.593 14.909 4.067 1.00 0.00 C ATOM 1793 CD GLN A 113 11.363 14.666 2.589 1.00 0.00 C ATOM 1794 OE1 GLN A 113 11.433 15.590 1.777 1.00 0.00 O ATOM 1795 NE2 GLN A 113 11.086 13.418 2.230 1.00 0.00 N ATOM 0 H GLN A 113 13.649 13.907 2.272 1.00 0.00 H new ATOM 0 HA GLN A 113 15.016 15.293 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 113 12.897 15.989 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 113 12.961 16.514 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.593 13.954 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 113 10.765 15.494 4.468 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.038 12.683 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.921 13.194 1.249 1.00 0.00 H new ATOM 1804 N ARG A 114 14.123 13.519 6.200 1.00 0.00 N ATOM 1805 CA ARG A 114 14.011 12.333 7.040 1.00 0.00 C ATOM 1806 C ARG A 114 12.566 11.845 7.102 1.00 0.00 C ATOM 1807 O ARG A 114 11.643 12.633 7.305 1.00 0.00 O ATOM 1808 CB ARG A 114 14.520 12.632 8.452 1.00 0.00 C ATOM 1809 CG ARG A 114 16.030 12.787 8.534 1.00 0.00 C ATOM 1810 CD ARG A 114 16.498 12.921 9.975 1.00 0.00 C ATOM 1811 NE ARG A 114 16.412 11.655 10.699 1.00 0.00 N ATOM 1812 CZ ARG A 114 16.425 11.564 12.024 1.00 0.00 C ATOM 1813 NH1 ARG A 114 16.520 12.659 12.766 1.00 0.00 N ATOM 1814 NH2 ARG A 114 16.343 10.377 12.609 1.00 0.00 N ATOM 0 H ARG A 114 14.301 14.383 6.712 1.00 0.00 H new ATOM 0 HA ARG A 114 14.624 11.547 6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 114 14.049 13.546 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 114 14.209 11.828 9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 114 16.511 11.925 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 114 16.338 13.665 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 114 17.528 13.278 9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.893 13.671 10.484 1.00 0.00 H new ATOM 0 HE ARG A 114 16.338 10.794 10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.583 13.574 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.530 12.586 13.783 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.270 9.533 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 114 16.353 10.308 13.627 1.00 0.00 H new ATOM 1828 N TRP A 115 12.380 10.542 6.925 1.00 0.00 N ATOM 1829 CA TRP A 115 11.047 9.949 6.960 1.00 0.00 C ATOM 1830 C TRP A 115 10.731 9.402 8.347 1.00 0.00 C ATOM 1831 O TRP A 115 9.575 9.375 8.765 1.00 0.00 O ATOM 1832 CB TRP A 115 10.936 8.833 5.920 1.00 0.00 C ATOM 1833 CG TRP A 115 10.460 9.312 4.582 1.00 0.00 C ATOM 1834 CD1 TRP A 115 10.695 10.534 4.018 1.00 0.00 C ATOM 1835 CD2 TRP A 115 9.667 8.580 3.642 1.00 0.00 C ATOM 1836 NE1 TRP A 115 10.095 10.605 2.784 1.00 0.00 N ATOM 1837 CE2 TRP A 115 9.459 9.418 2.530 1.00 0.00 C ATOM 1838 CE3 TRP A 115 9.115 7.296 3.630 1.00 0.00 C ATOM 1839 CZ2 TRP A 115 8.721 9.014 1.420 1.00 0.00 C ATOM 1840 CZ3 TRP A 115 8.382 6.896 2.529 1.00 0.00 C ATOM 1841 CH2 TRP A 115 8.191 7.752 1.436 1.00 0.00 C ATOM 0 H TRP A 115 13.134 9.876 6.756 1.00 0.00 H new ATOM 0 HA TRP A 115 10.323 10.729 6.724 1.00 0.00 H new ATOM 0 HB2 TRP A 115 11.910 8.358 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 115 10.251 8.069 6.289 1.00 0.00 H new ATOM 0 HD1 TRP A 115 11.268 11.327 4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 115 10.119 11.410 2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 115 9.259 6.628 4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 8.572 9.673 0.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 7.949 5.907 2.511 1.00 0.00 H new ATOM 0 HH2 TRP A 115 7.614 7.409 0.590 1.00 0.00 H new ATOM 1852 N GLY A 116 11.768 8.967 9.057 1.00 0.00 N ATOM 1853 CA GLY A 116 11.578 8.426 10.391 1.00 0.00 C ATOM 1854 C GLY A 116 10.613 7.258 10.411 1.00 0.00 C ATOM 1855 O GLY A 116 9.870 7.074 11.375 1.00 0.00 O ATOM 0 H GLY A 116 12.735 8.979 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.540 8.105 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.206 9.212 11.049 1.00 0.00 H new ATOM 1859 N GLY A 117 10.622 6.466 9.343 1.00 0.00 N ATOM 1860 CA GLY A 117 9.734 5.320 9.262 1.00 0.00 C ATOM 1861 C GLY A 117 8.948 5.287 7.966 1.00 0.00 C ATOM 1862 O GLY A 117 8.198 6.215 7.662 1.00 0.00 O ATOM 0 H GLY A 117 11.228 6.597 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.318 4.404 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.041 5.341 10.103 1.00 0.00 H new ATOM 1866 N LEU A 118 9.121 4.216 7.199 1.00 0.00 N ATOM 1867 CA LEU A 118 8.423 4.065 5.927 1.00 0.00 C ATOM 1868 C LEU A 118 6.916 4.210 6.112 1.00 0.00 C ATOM 1869 O LEU A 118 6.282 5.053 5.479 1.00 0.00 O ATOM 1870 CB LEU A 118 8.744 2.705 5.304 1.00 0.00 C ATOM 1871 CG LEU A 118 8.208 2.471 3.892 1.00 0.00 C ATOM 1872 CD1 LEU A 118 9.131 3.098 2.859 1.00 0.00 C ATOM 1873 CD2 LEU A 118 8.041 0.982 3.625 1.00 0.00 C ATOM 0 H LEU A 118 9.739 3.439 7.436 1.00 0.00 H new ATOM 0 HA LEU A 118 8.766 4.854 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.827 2.583 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.347 1.926 5.955 1.00 0.00 H new ATOM 0 HG LEU A 118 7.231 2.947 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.733 2.921 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 118 9.201 4.171 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.122 2.652 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.658 0.834 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.006 0.484 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.339 0.560 4.344 1.00 0.00 H new ATOM 1885 N GLU A 119 6.350 3.383 6.986 1.00 0.00 N ATOM 1886 CA GLU A 119 4.918 3.420 7.255 1.00 0.00 C ATOM 1887 C GLU A 119 4.607 4.361 8.416 1.00 0.00 C ATOM 1888 O GLU A 119 5.337 4.406 9.405 1.00 0.00 O ATOM 1889 CB GLU A 119 4.398 2.016 7.570 1.00 0.00 C ATOM 1890 CG GLU A 119 4.880 0.956 6.593 1.00 0.00 C ATOM 1891 CD GLU A 119 4.942 -0.425 7.216 1.00 0.00 C ATOM 1892 OE1 GLU A 119 5.969 -0.746 7.850 1.00 0.00 O ATOM 1893 OE2 GLU A 119 3.963 -1.187 7.068 1.00 0.00 O ATOM 0 H GLU A 119 6.862 2.680 7.519 1.00 0.00 H new ATOM 0 HA GLU A 119 4.417 3.793 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.710 1.739 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.308 2.032 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.214 0.932 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.869 1.229 6.225 1.00 0.00 H new ATOM 1900 N ALA A 120 3.517 5.111 8.286 1.00 0.00 N ATOM 1901 CA ALA A 120 3.108 6.050 9.323 1.00 0.00 C ATOM 1902 C ALA A 120 2.801 5.325 10.629 1.00 0.00 C ATOM 1903 O ALA A 120 2.180 4.262 10.647 1.00 0.00 O ATOM 1904 CB ALA A 120 1.898 6.849 8.864 1.00 0.00 C ATOM 0 H ALA A 120 2.902 5.086 7.473 1.00 0.00 H new ATOM 0 HA ALA A 120 3.935 6.736 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 120 1.604 7.546 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.150 7.404 7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.072 6.170 8.654 1.00 0.00 H new ATOM 1910 N PRO A 121 3.247 5.911 11.751 1.00 0.00 N ATOM 1911 CA PRO A 121 3.031 5.338 13.083 1.00 0.00 C ATOM 1912 C PRO A 121 1.570 5.403 13.512 1.00 0.00 C ATOM 1913 O PRO A 121 0.698 5.777 12.728 1.00 0.00 O ATOM 1914 CB PRO A 121 3.895 6.217 13.991 1.00 0.00 C ATOM 1915 CG PRO A 121 4.002 7.516 13.270 1.00 0.00 C ATOM 1916 CD PRO A 121 3.994 7.179 11.805 1.00 0.00 C ATOM 0 HA PRO A 121 3.290 4.280 13.119 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.436 6.345 14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.877 5.773 14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.170 8.173 13.524 1.00 0.00 H new ATOM 0 HG3 PRO A 121 4.917 8.040 13.545 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.508 7.957 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.005 7.067 11.413 1.00 0.00 H new ATOM 1924 N ALA A 122 1.308 5.037 14.763 1.00 0.00 N ATOM 1925 CA ALA A 122 -0.048 5.056 15.297 1.00 0.00 C ATOM 1926 C ALA A 122 -0.053 4.752 16.792 1.00 0.00 C ATOM 1927 O ALA A 122 0.975 4.396 17.366 1.00 0.00 O ATOM 1928 CB ALA A 122 -0.923 4.060 14.551 1.00 0.00 C ATOM 0 H ALA A 122 2.018 4.724 15.425 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.454 6.057 15.155 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.933 4.085 14.960 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.953 4.323 13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.510 3.057 14.664 1.00 0.00 H new ATOM 1934 N ALA A 123 -1.218 4.897 17.416 1.00 0.00 N ATOM 1935 CA ALA A 123 -1.357 4.637 18.843 1.00 0.00 C ATOM 1936 C ALA A 123 -0.523 3.432 19.265 1.00 0.00 C ATOM 1937 O ALA A 123 -0.481 2.419 18.567 1.00 0.00 O ATOM 1938 CB ALA A 123 -2.820 4.420 19.200 1.00 0.00 C ATOM 0 H ALA A 123 -2.078 5.193 16.955 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.988 5.509 19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.909 4.227 20.269 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.393 5.311 18.943 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.208 3.567 18.644 1.00 0.00 H new ATOM 1944 N ARG A 124 0.139 3.548 20.412 1.00 0.00 N ATOM 1945 CA ARG A 124 0.973 2.469 20.926 1.00 0.00 C ATOM 1946 C ARG A 124 0.115 1.307 21.419 1.00 0.00 C ATOM 1947 O ARG A 124 -1.011 1.503 21.876 1.00 0.00 O ATOM 1948 CB ARG A 124 1.861 2.979 22.062 1.00 0.00 C ATOM 1949 CG ARG A 124 2.907 3.985 21.612 1.00 0.00 C ATOM 1950 CD ARG A 124 4.171 3.295 21.123 1.00 0.00 C ATOM 1951 NE ARG A 124 4.059 2.873 19.730 1.00 0.00 N ATOM 1952 CZ ARG A 124 3.968 3.719 18.710 1.00 0.00 C ATOM 1953 NH1 ARG A 124 3.975 5.027 18.927 1.00 0.00 N ATOM 1954 NH2 ARG A 124 3.870 3.258 17.470 1.00 0.00 N ATOM 0 H ARG A 124 0.114 4.379 21.003 1.00 0.00 H new ATOM 0 HA ARG A 124 1.605 2.113 20.112 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.232 3.438 22.825 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.362 2.131 22.529 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.498 4.605 20.814 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.152 4.651 22.439 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.018 3.972 21.230 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.376 2.427 21.750 1.00 0.00 H new ATOM 0 HE ARG A 124 4.050 1.873 19.529 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.050 5.386 19.879 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.905 5.675 18.142 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.864 2.253 17.299 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.800 3.909 16.688 1.00 0.00 H new ATOM 1968 N VAL A 125 0.656 0.096 21.321 1.00 0.00 N ATOM 1969 CA VAL A 125 -0.059 -1.098 21.757 1.00 0.00 C ATOM 1970 C VAL A 125 0.905 -2.151 22.290 1.00 0.00 C ATOM 1971 O VAL A 125 1.731 -2.684 21.550 1.00 0.00 O ATOM 1972 CB VAL A 125 -0.885 -1.708 20.609 1.00 0.00 C ATOM 1973 CG1 VAL A 125 -1.585 -2.977 21.071 1.00 0.00 C ATOM 1974 CG2 VAL A 125 -1.892 -0.696 20.082 1.00 0.00 C ATOM 0 H VAL A 125 1.586 -0.084 20.944 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.734 -0.789 22.556 1.00 0.00 H new ATOM 0 HB VAL A 125 -0.208 -1.970 19.796 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -2.164 -3.394 20.247 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.842 -3.705 21.397 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.252 -2.743 21.901 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.467 -1.143 19.271 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -2.567 -0.401 20.886 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.365 0.183 19.711 1.00 0.00 H new ATOM 1984 N GLY A 126 0.794 -2.448 23.582 1.00 0.00 N ATOM 1985 CA GLY A 126 1.662 -3.438 24.193 1.00 0.00 C ATOM 1986 C GLY A 126 0.895 -4.633 24.723 1.00 0.00 C ATOM 1987 O GLY A 126 0.938 -5.715 24.140 1.00 0.00 O ATOM 0 H GLY A 126 0.119 -2.021 24.216 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.395 -3.776 23.460 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.217 -2.976 25.009 1.00 0.00 H new ATOM 1991 N GLY A 127 0.192 -4.438 25.834 1.00 0.00 N ATOM 1992 CA GLY A 127 -0.576 -5.518 26.426 1.00 0.00 C ATOM 1993 C GLY A 127 0.279 -6.726 26.752 1.00 0.00 C ATOM 1994 O GLY A 127 1.506 -6.662 26.688 1.00 0.00 O ATOM 0 H GLY A 127 0.140 -3.551 26.335 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.057 -5.161 27.337 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -1.370 -5.813 25.740 1.00 0.00 H new ATOM 1998 N ALA A 128 -0.371 -7.831 27.105 1.00 0.00 N ATOM 1999 CA ALA A 128 0.338 -9.059 27.443 1.00 0.00 C ATOM 2000 C ALA A 128 1.204 -9.530 26.280 1.00 0.00 C ATOM 2001 O ALA A 128 0.794 -9.462 25.121 1.00 0.00 O ATOM 2002 CB ALA A 128 -0.649 -10.145 27.843 1.00 0.00 C ATOM 0 H ALA A 128 -1.387 -7.900 27.164 1.00 0.00 H new ATOM 0 HA ALA A 128 0.993 -8.850 28.289 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.106 -11.056 28.093 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.222 -9.815 28.710 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.328 -10.343 27.014 1.00 0.00 H new ATOM 2008 N SER A 129 2.403 -10.008 26.596 1.00 0.00 N ATOM 2009 CA SER A 129 3.329 -10.487 25.576 1.00 0.00 C ATOM 2010 C SER A 129 2.725 -11.654 24.800 1.00 0.00 C ATOM 2011 O SER A 129 1.727 -12.240 25.215 1.00 0.00 O ATOM 2012 CB SER A 129 4.650 -10.915 26.217 1.00 0.00 C ATOM 2013 OG SER A 129 4.467 -12.040 27.060 1.00 0.00 O ATOM 0 H SER A 129 2.756 -10.074 27.551 1.00 0.00 H new ATOM 0 HA SER A 129 3.519 -9.670 24.880 1.00 0.00 H new ATOM 0 HB2 SER A 129 5.375 -11.154 25.439 1.00 0.00 H new ATOM 0 HB3 SER A 129 5.063 -10.088 26.794 1.00 0.00 H new ATOM 0 HG SER A 129 5.326 -12.295 27.456 1.00 0.00 H new ATOM 2019 N GLY A 130 3.341 -11.985 23.668 1.00 0.00 N ATOM 2020 CA GLY A 130 2.851 -13.080 22.851 1.00 0.00 C ATOM 2021 C GLY A 130 3.973 -13.932 22.291 1.00 0.00 C ATOM 2022 O GLY A 130 4.640 -14.672 23.015 1.00 0.00 O ATOM 0 H GLY A 130 4.169 -11.515 23.303 1.00 0.00 H new ATOM 0 HA2 GLY A 130 2.187 -13.705 23.447 1.00 0.00 H new ATOM 0 HA3 GLY A 130 2.258 -12.679 22.029 1.00 0.00 H new ATOM 2026 N PRO A 131 4.193 -13.835 20.972 1.00 0.00 N ATOM 2027 CA PRO A 131 5.241 -14.597 20.286 1.00 0.00 C ATOM 2028 C PRO A 131 6.641 -14.118 20.654 1.00 0.00 C ATOM 2029 O PRO A 131 7.585 -14.907 20.700 1.00 0.00 O ATOM 2030 CB PRO A 131 4.959 -14.334 18.805 1.00 0.00 C ATOM 2031 CG PRO A 131 4.245 -13.027 18.781 1.00 0.00 C ATOM 2032 CD PRO A 131 3.437 -12.973 20.048 1.00 0.00 C ATOM 0 HA PRO A 131 5.221 -15.653 20.557 1.00 0.00 H new ATOM 0 HB2 PRO A 131 5.883 -14.291 18.228 1.00 0.00 H new ATOM 0 HB3 PRO A 131 4.349 -15.126 18.372 1.00 0.00 H new ATOM 0 HG2 PRO A 131 4.951 -12.198 18.733 1.00 0.00 H new ATOM 0 HG3 PRO A 131 3.602 -12.950 17.904 1.00 0.00 H new ATOM 0 HD2 PRO A 131 3.352 -11.955 20.427 1.00 0.00 H new ATOM 0 HD3 PRO A 131 2.423 -13.341 19.894 1.00 0.00 H new ATOM 2040 N SER A 132 6.768 -12.822 20.917 1.00 0.00 N ATOM 2041 CA SER A 132 8.055 -12.237 21.279 1.00 0.00 C ATOM 2042 C SER A 132 8.864 -13.199 22.143 1.00 0.00 C ATOM 2043 O SER A 132 8.635 -13.313 23.347 1.00 0.00 O ATOM 2044 CB SER A 132 7.848 -10.917 22.022 1.00 0.00 C ATOM 2045 OG SER A 132 7.168 -9.975 21.210 1.00 0.00 O ATOM 0 H SER A 132 5.996 -12.156 20.886 1.00 0.00 H new ATOM 0 HA SER A 132 8.611 -12.045 20.361 1.00 0.00 H new ATOM 0 HB2 SER A 132 7.277 -11.095 22.933 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.813 -10.511 22.324 1.00 0.00 H new ATOM 0 HG SER A 132 7.047 -9.140 21.709 1.00 0.00 H new ATOM 2051 N SER A 133 9.814 -13.890 21.519 1.00 0.00 N ATOM 2052 CA SER A 133 10.656 -14.845 22.228 1.00 0.00 C ATOM 2053 C SER A 133 11.950 -14.186 22.696 1.00 0.00 C ATOM 2054 O SER A 133 12.597 -13.460 21.943 1.00 0.00 O ATOM 2055 CB SER A 133 10.975 -16.041 21.330 1.00 0.00 C ATOM 2056 OG SER A 133 11.360 -17.168 22.098 1.00 0.00 O ATOM 0 H SER A 133 10.019 -13.805 20.523 1.00 0.00 H new ATOM 0 HA SER A 133 10.109 -15.194 23.104 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.102 -16.289 20.727 1.00 0.00 H new ATOM 0 HB3 SER A 133 11.776 -15.777 20.639 1.00 0.00 H new ATOM 0 HG SER A 133 11.557 -17.919 21.500 1.00 0.00 H new ATOM 2062 N GLY A 134 12.321 -14.445 23.946 1.00 0.00 N ATOM 2063 CA GLY A 134 13.535 -13.870 24.494 1.00 0.00 C ATOM 2064 C GLY A 134 14.714 -13.997 23.550 1.00 0.00 C ATOM 2065 O GLY A 134 15.305 -15.069 23.424 1.00 0.00 O ATOM 0 H GLY A 134 11.802 -15.043 24.589 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.365 -12.817 24.719 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.773 -14.363 25.437 1.00 0.00 H new TER 2069 GLY A 134