USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 969 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 40 THR OG1 : rot -130:sc= -0.467 USER MOD Set 1.2: A 105 SER OG : rot -146:sc= 0.212 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.308 K(o=-0.47,f=-1.2) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= -0.165 USER MOD Set 3.1: A 30 GLN : amide:sc= 0.411 X(o=0.69,f=0.21) USER MOD Set 3.2: A 101 SER OG : rot 73:sc= 0.283 USER MOD Set 4.1: A 15 CYS SG : rot 88:sc= 1.17 USER MOD Set 4.2: A 17 CYS SG : rot 107:sc= 1.37 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 5 GLN : amide:sc= -0.355 K(o=-0.35,f=-6.5!) USER MOD Single : A 6 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 16 CYS SG : rot -24:sc= 0.161 USER MOD Single : A 20 MET CE :methyl 170:sc= 0 (180deg=-0.111) USER MOD Single : A 21 THR OG1 : rot 108:sc= 0.131 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 10:sc= -1.49! USER MOD Single : A 45 MET CE :methyl 158:sc= -2.78! (180deg=-4.07!) USER MOD Single : A 46 THR OG1 : rot -158:sc= 0.15 USER MOD Single : A 53 SER OG : rot -70:sc= 0.0346 USER MOD Single : A 58 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.018) USER MOD Single : A 61 MET CE :methyl 172:sc= 0 (180deg=-0.0551) USER MOD Single : A 62 THR OG1 : rot 49:sc= 0.583 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.00058) USER MOD Single : A 73 LYS NZ :NH3+ -122:sc= 1.19 (180deg=-0.102) USER MOD Single : A 79 CYS SG : rot 89:sc= 0.979 USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00576 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-2!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -82:sc= -0.116 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -81:sc= 0.576 USER MOD Single : A 116 GLN : amide:sc=-0.000144 X(o=-0.00014,f=-0.26) USER MOD Single : A 118 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.2) USER MOD Single : A 125 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-0.95) USER MOD Single : A 126 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-0.78) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.48) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.221 19.453 -36.885 1.00 0.00 N ATOM 2 CA MET A 1 -10.499 19.763 -36.180 1.00 0.00 C ATOM 3 C MET A 1 -10.381 19.448 -34.668 1.00 0.00 C ATOM 4 O MET A 1 -10.609 20.315 -33.822 1.00 0.00 O ATOM 5 CB MET A 1 -11.673 18.964 -36.817 1.00 0.00 C ATOM 6 CG MET A 1 -11.906 19.249 -38.307 1.00 0.00 C ATOM 7 SD MET A 1 -13.288 18.312 -38.998 1.00 0.00 S ATOM 8 CE MET A 1 -13.333 18.917 -40.685 1.00 0.00 C ATOM 0 H1 MET A 1 -9.261 19.825 -37.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.428 19.894 -36.377 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.082 18.423 -36.915 1.00 0.00 H new ATOM 0 HA MET A 1 -10.704 20.828 -36.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.481 17.899 -36.690 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.588 19.190 -36.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.093 20.314 -38.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.999 19.011 -38.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.139 18.423 -41.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.504 19.993 -40.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.383 18.703 -41.174 1.00 0.00 H new ATOM 20 N GLY A 2 -10.008 18.194 -34.351 1.00 0.00 N ATOM 21 CA GLY A 2 -9.820 17.738 -32.963 1.00 0.00 C ATOM 22 C GLY A 2 -8.769 16.629 -32.853 1.00 0.00 C ATOM 23 O GLY A 2 -7.865 16.551 -33.695 1.00 0.00 O ATOM 0 H GLY A 2 -9.829 17.471 -35.048 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.520 18.583 -32.343 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.770 17.376 -32.570 1.00 0.00 H new ATOM 27 N GLN A 3 -8.872 15.779 -31.811 1.00 0.00 N ATOM 28 CA GLN A 3 -7.911 14.669 -31.576 1.00 0.00 C ATOM 29 C GLN A 3 -8.575 13.474 -30.846 1.00 0.00 C ATOM 30 O GLN A 3 -9.785 13.477 -30.585 1.00 0.00 O ATOM 31 CB GLN A 3 -6.684 15.184 -30.764 1.00 0.00 C ATOM 32 CG GLN A 3 -7.016 15.721 -29.352 1.00 0.00 C ATOM 33 CD GLN A 3 -5.783 16.195 -28.575 1.00 0.00 C ATOM 34 OE1 GLN A 3 -4.687 15.671 -28.739 1.00 0.00 O ATOM 35 NE2 GLN A 3 -5.951 17.184 -27.718 1.00 0.00 N ATOM 0 H GLN A 3 -9.613 15.837 -31.113 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.575 14.312 -32.550 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.964 14.372 -30.668 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.197 15.976 -31.333 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.719 16.549 -29.442 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.516 14.938 -28.782 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.873 17.604 -27.599 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.159 17.528 -27.175 1.00 0.00 H new ATOM 44 N GLY A 4 -7.758 12.450 -30.545 1.00 0.00 N ATOM 45 CA GLY A 4 -8.198 11.271 -29.788 1.00 0.00 C ATOM 46 C GLY A 4 -7.018 10.519 -29.173 1.00 0.00 C ATOM 47 O GLY A 4 -5.914 10.528 -29.736 1.00 0.00 O ATOM 0 H GLY A 4 -6.776 12.419 -30.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.883 11.581 -28.999 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.752 10.602 -30.447 1.00 0.00 H new ATOM 51 N GLN A 5 -7.243 9.862 -28.016 1.00 0.00 N ATOM 52 CA GLN A 5 -6.192 9.085 -27.323 1.00 0.00 C ATOM 53 C GLN A 5 -6.197 7.631 -27.840 1.00 0.00 C ATOM 54 O GLN A 5 -7.171 6.897 -27.636 1.00 0.00 O ATOM 55 CB GLN A 5 -6.401 9.099 -25.773 1.00 0.00 C ATOM 56 CG GLN A 5 -6.162 10.460 -25.058 1.00 0.00 C ATOM 57 CD GLN A 5 -7.346 11.449 -25.082 1.00 0.00 C ATOM 58 OE1 GLN A 5 -8.149 11.490 -26.005 1.00 0.00 O ATOM 59 NE2 GLN A 5 -7.457 12.267 -24.050 1.00 0.00 N ATOM 0 H GLN A 5 -8.145 9.854 -27.540 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.229 9.549 -27.536 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.421 8.776 -25.562 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.734 8.359 -25.331 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.900 10.262 -24.019 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.300 10.944 -25.517 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.780 12.221 -23.288 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.219 12.944 -24.015 1.00 0.00 H new ATOM 68 N ASN A 6 -5.092 7.232 -28.502 1.00 0.00 N ATOM 69 CA ASN A 6 -4.921 5.879 -29.087 1.00 0.00 C ATOM 70 C ASN A 6 -3.446 5.661 -29.512 1.00 0.00 C ATOM 71 O ASN A 6 -2.946 6.352 -30.404 1.00 0.00 O ATOM 72 CB ASN A 6 -5.897 5.645 -30.289 1.00 0.00 C ATOM 73 CG ASN A 6 -5.880 6.778 -31.326 1.00 0.00 C ATOM 74 OD1 ASN A 6 -6.638 7.740 -31.232 1.00 0.00 O ATOM 75 ND2 ASN A 6 -5.018 6.676 -32.319 1.00 0.00 N ATOM 0 H ASN A 6 -4.286 7.840 -28.649 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.172 5.144 -28.322 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.635 4.709 -30.782 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.911 5.530 -29.906 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.971 7.406 -33.030 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.399 5.868 -32.376 1.00 0.00 H new ATOM 82 N VAL A 7 -2.763 4.719 -28.820 1.00 0.00 N ATOM 83 CA VAL A 7 -1.375 4.258 -29.081 1.00 0.00 C ATOM 84 C VAL A 7 -0.299 5.287 -28.611 1.00 0.00 C ATOM 85 O VAL A 7 0.646 4.922 -27.900 1.00 0.00 O ATOM 86 CB VAL A 7 -1.119 3.809 -30.571 1.00 0.00 C ATOM 87 CG1 VAL A 7 0.277 3.162 -30.701 1.00 0.00 C ATOM 88 CG2 VAL A 7 -2.230 2.844 -31.085 1.00 0.00 C ATOM 0 H VAL A 7 -3.183 4.235 -28.026 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.267 3.363 -28.469 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.153 4.700 -31.199 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.442 2.856 -31.734 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.041 3.883 -30.410 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.335 2.289 -30.051 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.016 2.559 -32.115 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.255 1.952 -30.459 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.197 3.346 -31.041 1.00 0.00 H new ATOM 98 N LEU A 8 -0.489 6.569 -28.985 1.00 0.00 N ATOM 99 CA LEU A 8 0.369 7.720 -28.597 1.00 0.00 C ATOM 100 C LEU A 8 0.561 7.836 -27.068 1.00 0.00 C ATOM 101 O LEU A 8 1.548 8.406 -26.597 1.00 0.00 O ATOM 102 CB LEU A 8 -0.253 9.022 -29.204 1.00 0.00 C ATOM 103 CG LEU A 8 -1.772 9.314 -28.853 1.00 0.00 C ATOM 104 CD1 LEU A 8 -1.935 10.090 -27.527 1.00 0.00 C ATOM 105 CD2 LEU A 8 -2.510 10.021 -30.017 1.00 0.00 C ATOM 0 H LEU A 8 -1.267 6.846 -29.584 1.00 0.00 H new ATOM 0 HA LEU A 8 1.370 7.564 -28.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.343 9.872 -28.871 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.158 8.971 -30.289 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.244 8.342 -28.709 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.994 10.263 -27.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.508 9.508 -26.710 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.418 11.047 -27.599 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.547 10.202 -29.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.022 10.971 -30.233 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.481 9.388 -30.904 1.00 0.00 H new ATOM 117 N GLY A 9 -0.408 7.299 -26.309 1.00 0.00 N ATOM 118 CA GLY A 9 -0.319 7.223 -24.862 1.00 0.00 C ATOM 119 C GLY A 9 -1.084 6.021 -24.348 1.00 0.00 C ATOM 120 O GLY A 9 -2.054 6.171 -23.591 1.00 0.00 O ATOM 0 H GLY A 9 -1.269 6.909 -26.691 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.726 7.154 -24.559 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.720 8.134 -24.418 1.00 0.00 H new ATOM 124 N GLN A 10 -0.642 4.823 -24.827 1.00 0.00 N ATOM 125 CA GLN A 10 -1.245 3.497 -24.529 1.00 0.00 C ATOM 126 C GLN A 10 -2.556 3.273 -25.323 1.00 0.00 C ATOM 127 O GLN A 10 -3.193 4.234 -25.788 1.00 0.00 O ATOM 128 CB GLN A 10 -1.488 3.276 -23.006 1.00 0.00 C ATOM 129 CG GLN A 10 -0.232 3.388 -22.105 1.00 0.00 C ATOM 130 CD GLN A 10 -0.546 3.303 -20.604 1.00 0.00 C ATOM 131 OE1 GLN A 10 -1.617 3.693 -20.150 1.00 0.00 O ATOM 132 NE2 GLN A 10 0.397 2.807 -19.823 1.00 0.00 N ATOM 0 H GLN A 10 0.165 4.755 -25.447 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.514 2.756 -24.853 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.224 4.003 -22.664 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.927 2.288 -22.866 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.466 2.593 -22.368 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.270 4.334 -22.310 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.279 2.490 -20.226 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.243 2.741 -18.817 1.00 0.00 H new ATOM 141 N ASP A 11 -2.950 1.992 -25.449 1.00 0.00 N ATOM 142 CA ASP A 11 -4.142 1.580 -26.224 1.00 0.00 C ATOM 143 C ASP A 11 -4.460 0.082 -25.999 1.00 0.00 C ATOM 144 O ASP A 11 -3.876 -0.788 -26.658 1.00 0.00 O ATOM 145 CB ASP A 11 -3.939 1.868 -27.735 1.00 0.00 C ATOM 146 CG ASP A 11 -5.185 1.593 -28.592 1.00 0.00 C ATOM 147 OD1 ASP A 11 -6.109 2.429 -28.587 1.00 0.00 O ATOM 148 OD2 ASP A 11 -5.245 0.536 -29.260 1.00 0.00 O ATOM 0 H ASP A 11 -2.454 1.212 -25.018 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.991 2.165 -25.870 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.646 2.910 -27.860 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.114 1.258 -28.104 1.00 0.00 H new ATOM 153 N LEU A 12 -5.363 -0.185 -25.032 1.00 0.00 N ATOM 154 CA LEU A 12 -5.983 -1.509 -24.800 1.00 0.00 C ATOM 155 C LEU A 12 -4.950 -2.663 -24.630 1.00 0.00 C ATOM 156 O LEU A 12 -5.163 -3.776 -25.116 1.00 0.00 O ATOM 157 CB LEU A 12 -6.999 -1.798 -25.941 1.00 0.00 C ATOM 158 CG LEU A 12 -8.131 -0.732 -26.127 1.00 0.00 C ATOM 159 CD1 LEU A 12 -8.996 -1.037 -27.372 1.00 0.00 C ATOM 160 CD2 LEU A 12 -8.997 -0.606 -24.846 1.00 0.00 C ATOM 0 H LEU A 12 -5.688 0.527 -24.378 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.507 -1.470 -23.845 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.450 -1.885 -26.878 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.464 -2.766 -25.752 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.653 0.233 -26.296 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.772 -0.278 -27.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.367 -1.031 -28.262 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.460 -2.017 -27.262 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.775 0.141 -25.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.458 -1.568 -24.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.367 -0.303 -24.010 1.00 0.00 H new ATOM 172 N GLU A 13 -3.840 -2.381 -23.925 1.00 0.00 N ATOM 173 CA GLU A 13 -2.804 -3.397 -23.598 1.00 0.00 C ATOM 174 C GLU A 13 -3.310 -4.386 -22.519 1.00 0.00 C ATOM 175 O GLU A 13 -4.168 -4.038 -21.694 1.00 0.00 O ATOM 176 CB GLU A 13 -1.489 -2.704 -23.138 1.00 0.00 C ATOM 177 CG GLU A 13 -0.795 -1.859 -24.229 1.00 0.00 C ATOM 178 CD GLU A 13 -0.332 -2.708 -25.435 1.00 0.00 C ATOM 179 OE1 GLU A 13 0.764 -3.308 -25.368 1.00 0.00 O ATOM 180 OE2 GLU A 13 -1.061 -2.784 -26.448 1.00 0.00 O ATOM 0 H GLU A 13 -3.629 -1.450 -23.564 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.596 -3.970 -24.502 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.710 -2.062 -22.285 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.793 -3.468 -22.790 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.481 -1.086 -24.576 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.066 -1.350 -23.796 1.00 0.00 H new ATOM 187 N VAL A 14 -2.776 -5.624 -22.546 1.00 0.00 N ATOM 188 CA VAL A 14 -3.205 -6.707 -21.633 1.00 0.00 C ATOM 189 C VAL A 14 -2.784 -6.402 -20.161 1.00 0.00 C ATOM 190 O VAL A 14 -1.642 -6.583 -19.751 1.00 0.00 O ATOM 191 CB VAL A 14 -2.699 -8.119 -22.141 1.00 0.00 C ATOM 192 CG1 VAL A 14 -1.155 -8.171 -22.305 1.00 0.00 C ATOM 193 CG2 VAL A 14 -3.239 -9.270 -21.252 1.00 0.00 C ATOM 0 H VAL A 14 -2.040 -5.902 -23.196 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.294 -6.751 -21.640 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.112 -8.266 -23.139 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.859 -9.160 -22.655 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.841 -7.420 -23.030 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.680 -7.969 -21.345 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.872 -10.224 -21.630 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.896 -9.129 -20.227 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.329 -9.266 -21.274 1.00 0.00 H new ATOM 203 N CYS A 15 -3.745 -5.886 -19.393 1.00 0.00 N ATOM 204 CA CYS A 15 -3.523 -5.363 -18.016 1.00 0.00 C ATOM 205 C CYS A 15 -4.195 -6.250 -16.940 1.00 0.00 C ATOM 206 O CYS A 15 -4.064 -5.974 -15.745 1.00 0.00 O ATOM 207 CB CYS A 15 -4.080 -3.921 -17.946 1.00 0.00 C ATOM 208 SG CYS A 15 -3.891 -3.097 -16.346 1.00 0.00 S ATOM 0 H CYS A 15 -4.715 -5.812 -19.700 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.453 -5.372 -17.807 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.583 -3.320 -18.707 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.140 -3.945 -18.201 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.740 -2.494 -16.301 1.00 0.00 H new ATOM 214 N CYS A 16 -4.939 -7.298 -17.397 1.00 0.00 N ATOM 215 CA CYS A 16 -5.732 -8.246 -16.542 1.00 0.00 C ATOM 216 C CYS A 16 -7.058 -7.648 -16.007 1.00 0.00 C ATOM 217 O CYS A 16 -7.991 -8.395 -15.681 1.00 0.00 O ATOM 218 CB CYS A 16 -4.898 -8.845 -15.372 1.00 0.00 C ATOM 219 SG CYS A 16 -5.757 -10.090 -14.382 1.00 0.00 S ATOM 0 H CYS A 16 -5.009 -7.516 -18.391 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.999 -9.057 -17.220 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.992 -9.291 -15.782 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.585 -8.033 -14.716 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.041 -9.909 -14.476 1.00 0.00 H new ATOM 225 N CYS A 17 -7.143 -6.308 -15.935 1.00 0.00 N ATOM 226 CA CYS A 17 -8.345 -5.575 -15.488 1.00 0.00 C ATOM 227 C CYS A 17 -9.590 -5.865 -16.373 1.00 0.00 C ATOM 228 O CYS A 17 -10.722 -5.891 -15.877 1.00 0.00 O ATOM 229 CB CYS A 17 -8.036 -4.067 -15.489 1.00 0.00 C ATOM 230 SG CYS A 17 -6.670 -3.591 -14.400 1.00 0.00 S ATOM 0 H CYS A 17 -6.369 -5.694 -16.189 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.591 -5.917 -14.483 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.800 -3.756 -16.507 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.932 -3.523 -15.189 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.626 -3.295 -15.117 1.00 0.00 H new ATOM 236 N ALA A 18 -9.365 -6.081 -17.684 1.00 0.00 N ATOM 237 CA ALA A 18 -10.434 -6.438 -18.645 1.00 0.00 C ATOM 238 C ALA A 18 -10.103 -7.774 -19.369 1.00 0.00 C ATOM 239 O ALA A 18 -8.983 -7.928 -19.881 1.00 0.00 O ATOM 240 CB ALA A 18 -10.644 -5.306 -19.669 1.00 0.00 C ATOM 0 H ALA A 18 -8.440 -6.014 -18.109 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.360 -6.573 -18.087 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.433 -5.588 -20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.929 -4.392 -19.148 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.718 -5.136 -20.219 1.00 0.00 H new ATOM 246 N PRO A 19 -11.058 -8.768 -19.397 1.00 0.00 N ATOM 247 CA PRO A 19 -10.891 -10.039 -20.161 1.00 0.00 C ATOM 248 C PRO A 19 -10.829 -9.799 -21.694 1.00 0.00 C ATOM 249 O PRO A 19 -11.805 -9.331 -22.286 1.00 0.00 O ATOM 250 CB PRO A 19 -12.152 -10.878 -19.766 1.00 0.00 C ATOM 251 CG PRO A 19 -12.673 -10.224 -18.520 1.00 0.00 C ATOM 252 CD PRO A 19 -12.349 -8.755 -18.663 1.00 0.00 C ATOM 0 HA PRO A 19 -9.953 -10.541 -19.923 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.899 -10.867 -20.560 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.893 -11.921 -19.586 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.747 -10.380 -18.416 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.202 -10.644 -17.631 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.123 -8.223 -19.217 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.257 -8.266 -17.693 1.00 0.00 H new ATOM 260 N MET A 20 -9.660 -10.115 -22.297 1.00 0.00 N ATOM 261 CA MET A 20 -9.367 -9.913 -23.739 1.00 0.00 C ATOM 262 C MET A 20 -9.430 -8.407 -24.133 1.00 0.00 C ATOM 263 O MET A 20 -10.492 -7.880 -24.497 1.00 0.00 O ATOM 264 CB MET A 20 -10.295 -10.781 -24.648 1.00 0.00 C ATOM 265 CG MET A 20 -9.904 -10.782 -26.132 1.00 0.00 C ATOM 266 SD MET A 20 -11.030 -11.744 -27.170 1.00 0.00 S ATOM 267 CE MET A 20 -12.504 -10.723 -27.164 1.00 0.00 C ATOM 0 H MET A 20 -8.878 -10.525 -21.787 1.00 0.00 H new ATOM 0 HA MET A 20 -8.344 -10.251 -23.906 1.00 0.00 H new ATOM 0 HB2 MET A 20 -10.286 -11.807 -24.281 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.318 -10.418 -24.554 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.877 -9.754 -26.494 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.895 -11.183 -26.234 1.00 0.00 H new ATOM 0 HE1 MET A 20 -13.212 -11.101 -27.902 1.00 0.00 H new ATOM 0 HE2 MET A 20 -12.961 -10.750 -26.175 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.236 -9.696 -27.412 1.00 0.00 H new ATOM 277 N THR A 21 -8.283 -7.721 -24.008 1.00 0.00 N ATOM 278 CA THR A 21 -8.138 -6.291 -24.359 1.00 0.00 C ATOM 279 C THR A 21 -7.695 -6.126 -25.837 1.00 0.00 C ATOM 280 O THR A 21 -6.806 -6.850 -26.305 1.00 0.00 O ATOM 281 CB THR A 21 -7.089 -5.594 -23.431 1.00 0.00 C ATOM 282 OG1 THR A 21 -5.814 -6.249 -23.562 1.00 0.00 O ATOM 283 CG2 THR A 21 -7.514 -5.601 -21.950 1.00 0.00 C ATOM 0 H THR A 21 -7.422 -8.142 -23.659 1.00 0.00 H new ATOM 0 HA THR A 21 -9.111 -5.821 -24.221 1.00 0.00 H new ATOM 0 HB THR A 21 -7.019 -4.554 -23.749 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.200 -5.672 -24.062 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.751 -5.105 -21.350 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.461 -5.073 -21.841 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.631 -6.630 -21.610 1.00 0.00 H new ATOM 291 N GLY A 22 -8.323 -5.167 -26.557 1.00 0.00 N ATOM 292 CA GLY A 22 -8.034 -4.928 -27.983 1.00 0.00 C ATOM 293 C GLY A 22 -8.559 -6.049 -28.886 1.00 0.00 C ATOM 294 O GLY A 22 -9.675 -5.969 -29.408 1.00 0.00 O ATOM 0 H GLY A 22 -9.034 -4.547 -26.169 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.482 -3.982 -28.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.957 -4.830 -28.120 1.00 0.00 H new ATOM 298 N TRP A 23 -7.742 -7.100 -29.057 1.00 0.00 N ATOM 299 CA TRP A 23 -8.139 -8.344 -29.765 1.00 0.00 C ATOM 300 C TRP A 23 -7.613 -9.570 -28.988 1.00 0.00 C ATOM 301 O TRP A 23 -8.329 -10.555 -28.822 1.00 0.00 O ATOM 302 CB TRP A 23 -7.629 -8.357 -31.250 1.00 0.00 C ATOM 303 CG TRP A 23 -8.727 -8.403 -32.294 1.00 0.00 C ATOM 304 CD1 TRP A 23 -9.111 -7.396 -33.139 1.00 0.00 C ATOM 305 CD2 TRP A 23 -9.582 -9.522 -32.595 1.00 0.00 C ATOM 306 NE1 TRP A 23 -10.140 -7.815 -33.940 1.00 0.00 N ATOM 307 CE2 TRP A 23 -10.450 -9.112 -33.627 1.00 0.00 C ATOM 308 CE3 TRP A 23 -9.703 -10.823 -32.089 1.00 0.00 C ATOM 309 CZ2 TRP A 23 -11.413 -9.959 -34.168 1.00 0.00 C ATOM 310 CZ3 TRP A 23 -10.660 -11.664 -32.628 1.00 0.00 C ATOM 311 CH2 TRP A 23 -11.507 -11.227 -33.655 1.00 0.00 C ATOM 0 H TRP A 23 -6.783 -7.119 -28.710 1.00 0.00 H new ATOM 0 HA TRP A 23 -9.228 -8.385 -29.805 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.022 -7.468 -31.419 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.977 -9.220 -31.389 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -8.666 -6.412 -33.169 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -10.601 -7.252 -34.655 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -9.060 -11.164 -31.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -12.064 -9.629 -34.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.756 -12.672 -32.252 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -12.250 -11.904 -34.051 1.00 0.00 H new ATOM 322 N TYR A 24 -6.338 -9.500 -28.546 1.00 0.00 N ATOM 323 CA TYR A 24 -5.710 -10.522 -27.661 1.00 0.00 C ATOM 324 C TYR A 24 -4.639 -9.875 -26.742 1.00 0.00 C ATOM 325 O TYR A 24 -4.848 -9.741 -25.526 1.00 0.00 O ATOM 326 CB TYR A 24 -5.057 -11.691 -28.479 1.00 0.00 C ATOM 327 CG TYR A 24 -6.054 -12.659 -29.139 1.00 0.00 C ATOM 328 CD1 TYR A 24 -6.774 -13.572 -28.361 1.00 0.00 C ATOM 329 CD2 TYR A 24 -6.273 -12.667 -30.522 1.00 0.00 C ATOM 330 CE1 TYR A 24 -7.675 -14.447 -28.934 1.00 0.00 C ATOM 331 CE2 TYR A 24 -7.177 -13.544 -31.093 1.00 0.00 C ATOM 332 CZ TYR A 24 -7.871 -14.432 -30.297 1.00 0.00 C ATOM 333 OH TYR A 24 -8.772 -15.306 -30.873 1.00 0.00 O ATOM 0 H TYR A 24 -5.709 -8.735 -28.790 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.510 -10.940 -27.050 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.423 -11.262 -29.255 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.407 -12.260 -27.815 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.622 -13.593 -27.292 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.728 -11.979 -31.151 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.224 -15.141 -28.315 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.340 -13.534 -32.161 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.791 -15.164 -31.842 1.00 0.00 H new ATOM 343 N ARG A 25 -3.513 -9.437 -27.368 1.00 0.00 N ATOM 344 CA ARG A 25 -2.232 -9.124 -26.676 1.00 0.00 C ATOM 345 C ARG A 25 -1.693 -10.389 -25.933 1.00 0.00 C ATOM 346 O ARG A 25 -0.804 -11.082 -26.447 1.00 0.00 O ATOM 347 CB ARG A 25 -2.325 -7.895 -25.707 1.00 0.00 C ATOM 348 CG ARG A 25 -2.400 -6.486 -26.346 1.00 0.00 C ATOM 349 CD ARG A 25 -3.710 -6.208 -27.104 1.00 0.00 C ATOM 350 NE ARG A 25 -3.843 -4.789 -27.481 1.00 0.00 N ATOM 351 CZ ARG A 25 -3.293 -4.210 -28.524 1.00 0.00 C ATOM 352 NH1 ARG A 25 -2.582 -4.876 -29.378 1.00 0.00 N ATOM 353 NH2 ARG A 25 -3.466 -2.947 -28.707 1.00 0.00 N ATOM 0 H ARG A 25 -3.469 -9.290 -28.376 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.523 -8.833 -27.451 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.206 -8.027 -25.079 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.457 -7.920 -25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.280 -5.737 -25.563 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.563 -6.366 -27.033 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.747 -6.826 -28.001 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.557 -6.498 -26.482 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.416 -4.202 -26.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.437 -5.877 -29.250 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.167 -4.399 -30.179 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.025 -2.408 -28.046 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.044 -2.486 -29.513 1.00 0.00 H new ATOM 367 N ASN A 26 -2.276 -10.668 -24.731 1.00 0.00 N ATOM 368 CA ASN A 26 -2.027 -11.880 -23.904 1.00 0.00 C ATOM 369 C ASN A 26 -0.580 -11.936 -23.323 1.00 0.00 C ATOM 370 O ASN A 26 0.397 -11.638 -24.009 1.00 0.00 O ATOM 371 CB ASN A 26 -2.387 -13.184 -24.682 1.00 0.00 C ATOM 372 CG ASN A 26 -2.414 -14.445 -23.804 1.00 0.00 C ATOM 373 OD1 ASN A 26 -2.657 -14.380 -22.598 1.00 0.00 O ATOM 374 ND2 ASN A 26 -2.195 -15.604 -24.401 1.00 0.00 N ATOM 0 H ASN A 26 -2.951 -10.036 -24.301 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.694 -11.808 -23.045 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.363 -13.058 -25.150 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.664 -13.328 -25.485 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.225 -16.469 -23.862 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.996 -15.633 -25.401 1.00 0.00 H new ATOM 381 N GLY A 27 -0.472 -12.350 -22.043 1.00 0.00 N ATOM 382 CA GLY A 27 0.816 -12.399 -21.316 1.00 0.00 C ATOM 383 C GLY A 27 0.838 -11.494 -20.079 1.00 0.00 C ATOM 384 O GLY A 27 1.673 -11.685 -19.182 1.00 0.00 O ATOM 0 H GLY A 27 -1.269 -12.658 -21.486 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.017 -13.426 -21.012 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.620 -12.103 -21.991 1.00 0.00 H new ATOM 388 N PHE A 28 -0.098 -10.518 -20.048 1.00 0.00 N ATOM 389 CA PHE A 28 -0.310 -9.559 -18.923 1.00 0.00 C ATOM 390 C PHE A 28 0.909 -8.619 -18.723 1.00 0.00 C ATOM 391 O PHE A 28 1.807 -8.896 -17.916 1.00 0.00 O ATOM 392 CB PHE A 28 -0.711 -10.293 -17.608 1.00 0.00 C ATOM 393 CG PHE A 28 -1.915 -11.232 -17.783 1.00 0.00 C ATOM 394 CD1 PHE A 28 -3.199 -10.720 -17.967 1.00 0.00 C ATOM 395 CD2 PHE A 28 -1.759 -12.620 -17.770 1.00 0.00 C ATOM 396 CE1 PHE A 28 -4.284 -11.562 -18.141 1.00 0.00 C ATOM 397 CE2 PHE A 28 -2.845 -13.461 -17.941 1.00 0.00 C ATOM 398 CZ PHE A 28 -4.107 -12.932 -18.122 1.00 0.00 C ATOM 0 H PHE A 28 -0.746 -10.366 -20.821 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.151 -8.922 -19.198 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.141 -10.869 -17.246 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.944 -9.553 -16.843 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.349 -9.651 -17.974 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.776 -13.043 -17.624 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.270 -11.147 -18.292 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.705 -14.532 -17.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.955 -13.588 -18.249 1.00 0.00 H new ATOM 408 N CYS A 29 0.947 -7.536 -19.524 1.00 0.00 N ATOM 409 CA CYS A 29 1.978 -6.480 -19.431 1.00 0.00 C ATOM 410 C CYS A 29 1.636 -5.496 -18.289 1.00 0.00 C ATOM 411 O CYS A 29 0.738 -4.654 -18.418 1.00 0.00 O ATOM 412 CB CYS A 29 2.098 -5.725 -20.775 1.00 0.00 C ATOM 413 SG CYS A 29 3.357 -4.425 -20.780 1.00 0.00 S ATOM 0 H CYS A 29 0.260 -7.367 -20.259 1.00 0.00 H new ATOM 0 HA CYS A 29 2.937 -6.949 -19.210 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.328 -6.442 -21.563 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.132 -5.282 -21.019 1.00 0.00 H new ATOM 0 HG CYS A 29 3.384 -3.852 -21.947 1.00 0.00 H new ATOM 419 N GLN A 30 2.342 -5.641 -17.159 1.00 0.00 N ATOM 420 CA GLN A 30 2.125 -4.822 -15.944 1.00 0.00 C ATOM 421 C GLN A 30 3.423 -4.028 -15.618 1.00 0.00 C ATOM 422 O GLN A 30 3.771 -3.781 -14.452 1.00 0.00 O ATOM 423 CB GLN A 30 1.703 -5.773 -14.780 1.00 0.00 C ATOM 424 CG GLN A 30 1.071 -5.065 -13.562 1.00 0.00 C ATOM 425 CD GLN A 30 0.801 -6.012 -12.394 1.00 0.00 C ATOM 426 OE1 GLN A 30 -0.263 -6.611 -12.287 1.00 0.00 O ATOM 427 NE2 GLN A 30 1.768 -6.157 -11.517 1.00 0.00 N ATOM 0 H GLN A 30 3.085 -6.332 -17.055 1.00 0.00 H new ATOM 0 HA GLN A 30 1.330 -4.092 -16.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.993 -6.504 -15.166 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.580 -6.327 -14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.734 -4.266 -13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.135 -4.597 -13.866 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.643 -5.645 -11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.644 -6.782 -10.720 1.00 0.00 H new ATOM 436 N THR A 31 4.117 -3.601 -16.688 1.00 0.00 N ATOM 437 CA THR A 31 5.403 -2.874 -16.593 1.00 0.00 C ATOM 438 C THR A 31 5.376 -1.572 -17.422 1.00 0.00 C ATOM 439 O THR A 31 4.483 -1.371 -18.259 1.00 0.00 O ATOM 440 CB THR A 31 6.603 -3.782 -17.048 1.00 0.00 C ATOM 441 OG1 THR A 31 7.861 -3.115 -16.803 1.00 0.00 O ATOM 442 CG2 THR A 31 6.509 -4.178 -18.541 1.00 0.00 C ATOM 0 H THR A 31 3.804 -3.749 -17.647 1.00 0.00 H new ATOM 0 HA THR A 31 5.548 -2.609 -15.546 1.00 0.00 H new ATOM 0 HB THR A 31 6.549 -4.697 -16.457 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.599 -3.693 -17.090 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.361 -4.805 -18.806 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.585 -4.730 -18.714 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.515 -3.279 -19.157 1.00 0.00 H new ATOM 450 N ASP A 32 6.363 -0.689 -17.174 1.00 0.00 N ATOM 451 CA ASP A 32 6.502 0.588 -17.901 1.00 0.00 C ATOM 452 C ASP A 32 6.904 0.384 -19.381 1.00 0.00 C ATOM 453 O ASP A 32 7.948 -0.211 -19.683 1.00 0.00 O ATOM 454 CB ASP A 32 7.544 1.502 -17.206 1.00 0.00 C ATOM 455 CG ASP A 32 7.040 2.032 -15.860 1.00 0.00 C ATOM 456 OD1 ASP A 32 6.282 3.025 -15.858 1.00 0.00 O ATOM 457 OD2 ASP A 32 7.383 1.461 -14.810 1.00 0.00 O ATOM 0 H ASP A 32 7.083 -0.840 -16.468 1.00 0.00 H new ATOM 0 HA ASP A 32 5.522 1.065 -17.882 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.468 0.945 -17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.782 2.341 -17.859 1.00 0.00 H new ATOM 462 N VAL A 33 6.069 0.926 -20.290 1.00 0.00 N ATOM 463 CA VAL A 33 6.429 1.098 -21.716 1.00 0.00 C ATOM 464 C VAL A 33 7.559 2.159 -21.885 1.00 0.00 C ATOM 465 O VAL A 33 8.145 2.290 -22.958 1.00 0.00 O ATOM 466 CB VAL A 33 5.171 1.494 -22.579 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.094 0.374 -22.533 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.582 2.864 -22.132 1.00 0.00 C ATOM 0 H VAL A 33 5.131 1.256 -20.061 1.00 0.00 H new ATOM 0 HA VAL A 33 6.801 0.139 -22.077 1.00 0.00 H new ATOM 0 HB VAL A 33 5.498 1.604 -23.613 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.235 0.670 -23.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.514 -0.551 -22.929 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.777 0.217 -21.502 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.716 3.106 -22.748 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.279 2.806 -21.087 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.338 3.640 -22.248 1.00 0.00 H new ATOM 478 N GLN A 34 7.843 2.899 -20.788 1.00 0.00 N ATOM 479 CA GLN A 34 8.964 3.866 -20.686 1.00 0.00 C ATOM 480 C GLN A 34 10.351 3.159 -20.746 1.00 0.00 C ATOM 481 O GLN A 34 11.381 3.831 -20.861 1.00 0.00 O ATOM 482 CB GLN A 34 8.850 4.666 -19.348 1.00 0.00 C ATOM 483 CG GLN A 34 7.439 5.219 -19.023 1.00 0.00 C ATOM 484 CD GLN A 34 6.876 6.168 -20.094 1.00 0.00 C ATOM 485 OE1 GLN A 34 6.194 5.745 -21.024 1.00 0.00 O ATOM 486 NE2 GLN A 34 7.167 7.449 -19.980 1.00 0.00 N ATOM 0 H GLN A 34 7.290 2.841 -19.933 1.00 0.00 H new ATOM 0 HA GLN A 34 8.894 4.542 -21.538 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.166 4.019 -18.529 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.550 5.501 -19.383 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.752 4.382 -18.897 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.477 5.746 -18.070 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.735 7.775 -19.198 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.824 8.114 -20.673 1.00 0.00 H new ATOM 495 N ASP A 35 10.341 1.803 -20.579 1.00 0.00 N ATOM 496 CA ASP A 35 11.527 0.910 -20.723 1.00 0.00 C ATOM 497 C ASP A 35 12.533 1.055 -19.535 1.00 0.00 C ATOM 498 O ASP A 35 13.650 0.519 -19.560 1.00 0.00 O ATOM 499 CB ASP A 35 12.201 1.140 -22.116 1.00 0.00 C ATOM 500 CG ASP A 35 13.272 0.099 -22.485 1.00 0.00 C ATOM 501 OD1 ASP A 35 12.900 -1.044 -22.824 1.00 0.00 O ATOM 502 OD2 ASP A 35 14.477 0.421 -22.446 1.00 0.00 O ATOM 0 H ASP A 35 9.492 1.293 -20.336 1.00 0.00 H new ATOM 0 HA ASP A 35 11.183 -0.123 -20.681 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.428 1.136 -22.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.656 2.130 -22.126 1.00 0.00 H new ATOM 507 N ARG A 36 12.114 1.751 -18.467 1.00 0.00 N ATOM 508 CA ARG A 36 12.970 1.988 -17.283 1.00 0.00 C ATOM 509 C ARG A 36 12.908 0.824 -16.266 1.00 0.00 C ATOM 510 O ARG A 36 13.839 0.646 -15.481 1.00 0.00 O ATOM 511 CB ARG A 36 12.610 3.349 -16.631 1.00 0.00 C ATOM 512 CG ARG A 36 12.768 4.582 -17.573 1.00 0.00 C ATOM 513 CD ARG A 36 14.216 4.809 -18.103 1.00 0.00 C ATOM 514 NE ARG A 36 14.643 3.815 -19.125 1.00 0.00 N ATOM 515 CZ ARG A 36 14.674 4.011 -20.428 1.00 0.00 C ATOM 516 NH1 ARG A 36 14.375 5.162 -20.949 1.00 0.00 N ATOM 517 NH2 ARG A 36 15.009 3.046 -21.210 1.00 0.00 N ATOM 0 H ARG A 36 11.184 2.163 -18.394 1.00 0.00 H new ATOM 0 HA ARG A 36 14.005 2.031 -17.621 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.579 3.307 -16.279 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.241 3.495 -15.754 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.098 4.461 -18.424 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.446 5.476 -17.038 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.284 5.809 -18.531 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.910 4.774 -17.263 1.00 0.00 H new ATOM 0 HE ARG A 36 14.938 2.899 -18.786 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.108 5.941 -20.347 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.407 5.288 -21.961 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.249 2.134 -20.821 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.034 3.193 -22.219 1.00 0.00 H new ATOM 531 N GLY A 37 11.809 0.040 -16.292 1.00 0.00 N ATOM 532 CA GLY A 37 11.691 -1.192 -15.485 1.00 0.00 C ATOM 533 C GLY A 37 11.424 -0.942 -13.992 1.00 0.00 C ATOM 534 O GLY A 37 10.325 -1.218 -13.497 1.00 0.00 O ATOM 0 H GLY A 37 10.989 0.240 -16.865 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.884 -1.803 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.610 -1.770 -15.587 1.00 0.00 H new ATOM 538 N SER A 38 12.445 -0.438 -13.270 1.00 0.00 N ATOM 539 CA SER A 38 12.344 -0.107 -11.827 1.00 0.00 C ATOM 540 C SER A 38 11.483 1.163 -11.596 1.00 0.00 C ATOM 541 O SER A 38 12.013 2.267 -11.449 1.00 0.00 O ATOM 542 CB SER A 38 13.757 0.058 -11.209 1.00 0.00 C ATOM 543 OG SER A 38 14.527 -1.134 -11.318 1.00 0.00 O ATOM 0 H SER A 38 13.365 -0.247 -13.668 1.00 0.00 H new ATOM 0 HA SER A 38 11.843 -0.935 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.279 0.874 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.664 0.335 -10.159 1.00 0.00 H new ATOM 0 HG SER A 38 15.411 -0.990 -10.919 1.00 0.00 H new ATOM 549 N HIS A 39 10.148 0.980 -11.612 1.00 0.00 N ATOM 550 CA HIS A 39 9.143 2.063 -11.408 1.00 0.00 C ATOM 551 C HIS A 39 7.702 1.464 -11.276 1.00 0.00 C ATOM 552 O HIS A 39 6.729 2.191 -11.041 1.00 0.00 O ATOM 553 CB HIS A 39 9.236 3.087 -12.588 1.00 0.00 C ATOM 554 CG HIS A 39 8.240 4.219 -12.559 1.00 0.00 C ATOM 555 ND1 HIS A 39 7.053 4.177 -13.252 1.00 0.00 N ATOM 556 CD2 HIS A 39 8.254 5.414 -11.929 1.00 0.00 C ATOM 557 CE1 HIS A 39 6.388 5.291 -13.064 1.00 0.00 C ATOM 558 NE2 HIS A 39 7.092 6.062 -12.264 1.00 0.00 N ATOM 0 H HIS A 39 9.723 0.066 -11.769 1.00 0.00 H new ATOM 0 HA HIS A 39 9.359 2.587 -10.477 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.240 3.512 -12.596 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.112 2.544 -13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.034 5.789 -11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.427 5.534 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.818 6.991 -11.944 1.00 0.00 H new ATOM 567 N THR A 40 7.587 0.123 -11.338 1.00 0.00 N ATOM 568 CA THR A 40 6.285 -0.575 -11.456 1.00 0.00 C ATOM 569 C THR A 40 5.724 -0.945 -10.064 1.00 0.00 C ATOM 570 O THR A 40 6.334 -1.711 -9.303 1.00 0.00 O ATOM 571 CB THR A 40 6.411 -1.881 -12.327 1.00 0.00 C ATOM 572 OG1 THR A 40 7.198 -2.877 -11.655 1.00 0.00 O ATOM 573 CG2 THR A 40 7.068 -1.598 -13.675 1.00 0.00 C ATOM 0 H THR A 40 8.388 -0.507 -11.308 1.00 0.00 H new ATOM 0 HA THR A 40 5.599 0.114 -11.948 1.00 0.00 H new ATOM 0 HB THR A 40 5.395 -2.244 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.887 -3.216 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.137 -2.523 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.469 -0.874 -14.227 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.068 -1.195 -13.515 1.00 0.00 H new ATOM 581 N VAL A 41 4.573 -0.339 -9.720 1.00 0.00 N ATOM 582 CA VAL A 41 3.834 -0.631 -8.476 1.00 0.00 C ATOM 583 C VAL A 41 2.361 -0.968 -8.804 1.00 0.00 C ATOM 584 O VAL A 41 1.686 -0.204 -9.502 1.00 0.00 O ATOM 585 CB VAL A 41 3.846 0.577 -7.456 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.259 0.133 -6.084 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.260 1.205 -7.299 1.00 0.00 C ATOM 0 H VAL A 41 4.126 0.371 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 41 4.339 -1.477 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 41 3.209 1.361 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.274 0.975 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.232 -0.207 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.859 -0.681 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.215 2.030 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.955 0.449 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.602 1.577 -8.265 1.00 0.00 H new ATOM 597 N CYS A 42 1.876 -2.108 -8.299 1.00 0.00 N ATOM 598 CA CYS A 42 0.438 -2.451 -8.307 1.00 0.00 C ATOM 599 C CYS A 42 0.067 -3.035 -6.936 1.00 0.00 C ATOM 600 O CYS A 42 0.448 -4.158 -6.616 1.00 0.00 O ATOM 601 CB CYS A 42 0.116 -3.450 -9.442 1.00 0.00 C ATOM 602 SG CYS A 42 0.369 -2.770 -11.096 1.00 0.00 S ATOM 0 H CYS A 42 2.465 -2.823 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.152 -1.554 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.740 -4.336 -9.323 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.920 -3.775 -9.346 1.00 0.00 H new ATOM 0 HG CYS A 42 0.974 -1.623 -11.006 1.00 0.00 H new ATOM 608 N ALA A 43 -0.695 -2.263 -6.147 1.00 0.00 N ATOM 609 CA ALA A 43 -0.984 -2.558 -4.729 1.00 0.00 C ATOM 610 C ALA A 43 -2.444 -2.212 -4.430 1.00 0.00 C ATOM 611 O ALA A 43 -3.016 -1.330 -5.082 1.00 0.00 O ATOM 612 CB ALA A 43 -0.033 -1.759 -3.815 1.00 0.00 C ATOM 0 H ALA A 43 -1.135 -1.404 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.825 -3.619 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.256 -1.985 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.999 -2.035 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.169 -0.692 -3.992 1.00 0.00 H new ATOM 618 N GLU A 44 -3.065 -2.909 -3.472 1.00 0.00 N ATOM 619 CA GLU A 44 -4.487 -2.688 -3.160 1.00 0.00 C ATOM 620 C GLU A 44 -4.680 -2.120 -1.742 1.00 0.00 C ATOM 621 O GLU A 44 -4.213 -2.700 -0.755 1.00 0.00 O ATOM 622 CB GLU A 44 -5.300 -3.990 -3.324 1.00 0.00 C ATOM 623 CG GLU A 44 -6.792 -3.716 -3.513 1.00 0.00 C ATOM 624 CD GLU A 44 -7.657 -4.984 -3.502 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.815 -5.618 -4.564 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.172 -5.346 -2.426 1.00 0.00 O ATOM 0 H GLU A 44 -2.613 -3.625 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.857 -1.950 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.923 -4.547 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.156 -4.620 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.133 -3.047 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.940 -3.194 -4.458 1.00 0.00 H new ATOM 633 N MET A 45 -5.367 -0.970 -1.671 1.00 0.00 N ATOM 634 CA MET A 45 -5.734 -0.307 -0.413 1.00 0.00 C ATOM 635 C MET A 45 -7.255 -0.449 -0.171 1.00 0.00 C ATOM 636 O MET A 45 -8.046 -0.317 -1.110 1.00 0.00 O ATOM 637 CB MET A 45 -5.338 1.194 -0.486 1.00 0.00 C ATOM 638 CG MET A 45 -3.917 1.444 -1.024 1.00 0.00 C ATOM 639 SD MET A 45 -2.642 0.789 0.061 1.00 0.00 S ATOM 640 CE MET A 45 -2.918 1.787 1.517 1.00 0.00 C ATOM 0 H MET A 45 -5.687 -0.468 -2.499 1.00 0.00 H new ATOM 0 HA MET A 45 -5.203 -0.776 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.053 1.717 -1.122 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.420 1.629 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.820 0.988 -2.009 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.764 2.516 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.509 1.278 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.426 2.752 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.988 1.941 1.655 1.00 0.00 H new ATOM 650 N THR A 46 -7.652 -0.724 1.087 1.00 0.00 N ATOM 651 CA THR A 46 -9.081 -0.763 1.491 1.00 0.00 C ATOM 652 C THR A 46 -9.576 0.653 1.855 1.00 0.00 C ATOM 653 O THR A 46 -8.774 1.523 2.234 1.00 0.00 O ATOM 654 CB THR A 46 -9.347 -1.740 2.695 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.743 -1.705 3.063 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.483 -1.411 3.927 1.00 0.00 C ATOM 0 H THR A 46 -7.003 -0.924 1.848 1.00 0.00 H new ATOM 0 HA THR A 46 -9.636 -1.142 0.633 1.00 0.00 H new ATOM 0 HB THR A 46 -9.072 -2.739 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.845 -2.011 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.707 -2.116 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.428 -1.486 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.701 -0.398 4.264 1.00 0.00 H new ATOM 664 N GLU A 47 -10.908 0.862 1.760 1.00 0.00 N ATOM 665 CA GLU A 47 -11.537 2.185 1.985 1.00 0.00 C ATOM 666 C GLU A 47 -11.287 2.697 3.419 1.00 0.00 C ATOM 667 O GLU A 47 -11.236 3.896 3.644 1.00 0.00 O ATOM 668 CB GLU A 47 -13.058 2.166 1.683 1.00 0.00 C ATOM 669 CG GLU A 47 -13.702 3.574 1.696 1.00 0.00 C ATOM 670 CD GLU A 47 -15.222 3.572 1.487 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.951 3.049 2.357 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.694 4.106 0.460 1.00 0.00 O ATOM 0 H GLU A 47 -11.574 0.125 1.527 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.063 2.873 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.222 1.708 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.560 1.538 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.478 4.055 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.240 4.180 0.916 1.00 0.00 H new ATOM 679 N GLU A 48 -11.138 1.752 4.366 1.00 0.00 N ATOM 680 CA GLU A 48 -10.848 2.037 5.798 1.00 0.00 C ATOM 681 C GLU A 48 -9.681 3.048 5.961 1.00 0.00 C ATOM 682 O GLU A 48 -9.785 4.018 6.724 1.00 0.00 O ATOM 683 CB GLU A 48 -10.510 0.701 6.507 1.00 0.00 C ATOM 684 CG GLU A 48 -11.615 -0.364 6.380 1.00 0.00 C ATOM 685 CD GLU A 48 -11.188 -1.747 6.890 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.202 -1.977 8.119 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.813 -2.612 6.066 1.00 0.00 O ATOM 0 H GLU A 48 -11.215 0.755 4.164 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.728 2.494 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.585 0.303 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.326 0.897 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.493 -0.035 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.912 -0.446 5.335 1.00 0.00 H new ATOM 694 N PHE A 49 -8.589 2.823 5.202 1.00 0.00 N ATOM 695 CA PHE A 49 -7.444 3.755 5.159 1.00 0.00 C ATOM 696 C PHE A 49 -7.738 5.012 4.286 1.00 0.00 C ATOM 697 O PHE A 49 -7.322 6.111 4.639 1.00 0.00 O ATOM 698 CB PHE A 49 -6.153 3.049 4.665 1.00 0.00 C ATOM 699 CG PHE A 49 -4.946 3.993 4.642 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.391 4.461 5.837 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.413 4.467 3.439 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.338 5.357 5.826 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.366 5.369 3.436 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.829 5.812 4.627 1.00 0.00 C ATOM 0 H PHE A 49 -8.476 2.001 4.609 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.285 4.092 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.935 2.200 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.319 2.651 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.790 4.118 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.825 4.124 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.913 5.701 6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.967 5.728 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.010 6.515 4.621 1.00 0.00 H new ATOM 714 N LEU A 50 -8.422 4.830 3.134 1.00 0.00 N ATOM 715 CA LEU A 50 -8.722 5.947 2.175 1.00 0.00 C ATOM 716 C LEU A 50 -9.656 7.026 2.793 1.00 0.00 C ATOM 717 O LEU A 50 -9.622 8.195 2.389 1.00 0.00 O ATOM 718 CB LEU A 50 -9.289 5.388 0.826 1.00 0.00 C ATOM 719 CG LEU A 50 -8.228 4.905 -0.211 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.328 3.807 0.364 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.904 4.460 -1.529 1.00 0.00 C ATOM 0 H LEU A 50 -8.782 3.924 2.835 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.779 6.449 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.954 4.554 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.897 6.164 0.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.582 5.753 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.603 3.499 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.802 4.189 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.938 2.951 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.142 4.128 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.593 3.640 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.454 5.298 -1.957 1.00 0.00 H new ATOM 733 N LEU A 51 -10.471 6.614 3.777 1.00 0.00 N ATOM 734 CA LEU A 51 -11.299 7.524 4.587 1.00 0.00 C ATOM 735 C LEU A 51 -10.406 8.287 5.594 1.00 0.00 C ATOM 736 O LEU A 51 -10.496 9.508 5.701 1.00 0.00 O ATOM 737 CB LEU A 51 -12.413 6.731 5.324 1.00 0.00 C ATOM 738 CG LEU A 51 -13.471 6.033 4.414 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.443 5.158 5.238 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.228 7.058 3.535 1.00 0.00 C ATOM 0 H LEU A 51 -10.575 5.633 4.035 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.781 8.249 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.940 5.971 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.934 7.414 5.995 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.932 5.366 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.165 4.688 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.881 4.387 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.969 5.781 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.957 6.537 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.743 7.775 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.518 7.584 2.897 1.00 0.00 H new ATOM 752 N PHE A 52 -9.521 7.544 6.303 1.00 0.00 N ATOM 753 CA PHE A 52 -8.511 8.127 7.234 1.00 0.00 C ATOM 754 C PHE A 52 -7.562 9.129 6.509 1.00 0.00 C ATOM 755 O PHE A 52 -7.111 10.100 7.112 1.00 0.00 O ATOM 756 CB PHE A 52 -7.699 6.982 7.922 1.00 0.00 C ATOM 757 CG PHE A 52 -6.481 7.450 8.739 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.638 8.271 9.861 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.180 7.086 8.370 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.540 8.711 10.578 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.086 7.524 9.093 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.265 8.337 10.194 1.00 0.00 C ATOM 0 H PHE A 52 -9.483 6.526 6.249 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.043 8.693 7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.368 6.427 8.580 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.358 6.287 7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.630 8.565 10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.029 6.454 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.679 9.348 11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.090 7.230 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.409 8.681 10.756 1.00 0.00 H new ATOM 772 N SER A 53 -7.289 8.880 5.212 1.00 0.00 N ATOM 773 CA SER A 53 -6.450 9.769 4.363 1.00 0.00 C ATOM 774 C SER A 53 -7.073 11.182 4.261 1.00 0.00 C ATOM 775 O SER A 53 -6.360 12.189 4.232 1.00 0.00 O ATOM 776 CB SER A 53 -6.279 9.155 2.950 1.00 0.00 C ATOM 777 OG SER A 53 -5.419 9.932 2.118 1.00 0.00 O ATOM 0 H SER A 53 -7.641 8.060 4.718 1.00 0.00 H new ATOM 0 HA SER A 53 -5.469 9.861 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.876 8.146 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.256 9.066 2.475 1.00 0.00 H new ATOM 0 HG SER A 53 -5.864 10.773 1.883 1.00 0.00 H new ATOM 783 N ARG A 54 -8.418 11.217 4.217 1.00 0.00 N ATOM 784 CA ARG A 54 -9.211 12.461 4.240 1.00 0.00 C ATOM 785 C ARG A 54 -9.248 13.069 5.662 1.00 0.00 C ATOM 786 O ARG A 54 -8.948 14.250 5.845 1.00 0.00 O ATOM 787 CB ARG A 54 -10.646 12.167 3.738 1.00 0.00 C ATOM 788 CG ARG A 54 -11.616 13.372 3.786 1.00 0.00 C ATOM 789 CD ARG A 54 -13.026 13.006 3.307 1.00 0.00 C ATOM 790 NE ARG A 54 -13.945 14.157 3.351 1.00 0.00 N ATOM 791 CZ ARG A 54 -14.677 14.584 2.347 1.00 0.00 C ATOM 792 NH1 ARG A 54 -14.564 14.066 1.158 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.509 15.552 2.535 1.00 0.00 N ATOM 0 H ARG A 54 -8.990 10.374 4.164 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.740 13.190 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.589 11.807 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.065 11.358 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.669 13.752 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.222 14.177 3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.974 12.624 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.422 12.203 3.929 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.019 14.664 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.897 13.313 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.143 14.413 0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.594 15.979 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.081 15.890 1.761 1.00 0.00 H new ATOM 807 N ASP A 55 -9.598 12.233 6.663 1.00 0.00 N ATOM 808 CA ASP A 55 -9.753 12.665 8.077 1.00 0.00 C ATOM 809 C ASP A 55 -8.420 13.142 8.713 1.00 0.00 C ATOM 810 O ASP A 55 -8.431 13.816 9.748 1.00 0.00 O ATOM 811 CB ASP A 55 -10.387 11.522 8.910 1.00 0.00 C ATOM 812 CG ASP A 55 -11.842 11.236 8.492 1.00 0.00 C ATOM 813 OD1 ASP A 55 -12.718 12.093 8.742 1.00 0.00 O ATOM 814 OD2 ASP A 55 -12.120 10.169 7.912 1.00 0.00 O ATOM 0 H ASP A 55 -9.782 11.240 6.518 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.417 13.529 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.792 10.616 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.360 11.787 9.967 1.00 0.00 H new ATOM 819 N ARG A 56 -7.281 12.771 8.097 1.00 0.00 N ATOM 820 CA ARG A 56 -5.948 13.279 8.482 1.00 0.00 C ATOM 821 C ARG A 56 -5.568 14.505 7.606 1.00 0.00 C ATOM 822 O ARG A 56 -5.279 15.589 8.128 1.00 0.00 O ATOM 823 CB ARG A 56 -4.878 12.156 8.348 1.00 0.00 C ATOM 824 CG ARG A 56 -3.444 12.582 8.745 1.00 0.00 C ATOM 825 CD ARG A 56 -3.320 13.002 10.226 1.00 0.00 C ATOM 826 NE ARG A 56 -2.005 13.598 10.512 1.00 0.00 N ATOM 827 CZ ARG A 56 -1.577 13.992 11.691 1.00 0.00 C ATOM 828 NH1 ARG A 56 -2.270 13.809 12.768 1.00 0.00 N ATOM 829 NH2 ARG A 56 -0.421 14.554 11.783 1.00 0.00 N ATOM 0 H ARG A 56 -7.258 12.111 7.319 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.982 13.595 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.177 11.311 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.866 11.805 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.760 11.756 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.130 13.412 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.105 13.718 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.473 12.133 10.865 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.368 13.716 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.178 13.347 12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.909 14.127 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.149 14.688 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.076 14.865 12.691 1.00 0.00 H new ATOM 843 N GLY A 57 -5.576 14.311 6.271 1.00 0.00 N ATOM 844 CA GLY A 57 -5.215 15.372 5.314 1.00 0.00 C ATOM 845 C GLY A 57 -6.312 15.622 4.280 1.00 0.00 C ATOM 846 O GLY A 57 -7.205 16.443 4.502 1.00 0.00 O ATOM 0 H GLY A 57 -5.830 13.426 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.015 16.295 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.293 15.097 4.802 1.00 0.00 H new ATOM 850 N ASN A 58 -6.265 14.877 3.159 1.00 0.00 N ATOM 851 CA ASN A 58 -7.237 15.008 2.047 1.00 0.00 C ATOM 852 C ASN A 58 -7.342 13.694 1.240 1.00 0.00 C ATOM 853 O ASN A 58 -6.392 12.900 1.189 1.00 0.00 O ATOM 854 CB ASN A 58 -6.861 16.186 1.090 1.00 0.00 C ATOM 855 CG ASN A 58 -5.553 15.990 0.291 1.00 0.00 C ATOM 856 OD1 ASN A 58 -5.476 16.328 -0.888 1.00 0.00 O ATOM 857 ND2 ASN A 58 -4.502 15.493 0.924 1.00 0.00 N ATOM 0 H ASN A 58 -5.553 14.166 2.995 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.206 15.225 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.679 16.337 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.775 17.099 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.614 15.387 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.580 15.216 1.903 1.00 0.00 H new ATOM 864 N ASP A 59 -8.517 13.467 0.630 1.00 0.00 N ATOM 865 CA ASP A 59 -8.730 12.363 -0.331 1.00 0.00 C ATOM 866 C ASP A 59 -8.779 12.927 -1.775 1.00 0.00 C ATOM 867 O ASP A 59 -8.878 14.142 -1.976 1.00 0.00 O ATOM 868 CB ASP A 59 -10.044 11.601 -0.001 1.00 0.00 C ATOM 869 CG ASP A 59 -11.325 12.366 -0.395 1.00 0.00 C ATOM 870 OD1 ASP A 59 -11.680 13.353 0.281 1.00 0.00 O ATOM 871 OD2 ASP A 59 -11.957 11.991 -1.402 1.00 0.00 O ATOM 0 H ASP A 59 -9.346 14.040 0.786 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.900 11.661 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.034 10.640 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.072 11.391 1.068 1.00 0.00 H new ATOM 876 N LEU A 60 -8.726 12.030 -2.772 1.00 0.00 N ATOM 877 CA LEU A 60 -8.891 12.394 -4.206 1.00 0.00 C ATOM 878 C LEU A 60 -10.085 11.633 -4.843 1.00 0.00 C ATOM 879 O LEU A 60 -10.329 11.740 -6.049 1.00 0.00 O ATOM 880 CB LEU A 60 -7.574 12.099 -4.984 1.00 0.00 C ATOM 881 CG LEU A 60 -6.306 12.900 -4.528 1.00 0.00 C ATOM 882 CD1 LEU A 60 -5.045 12.438 -5.299 1.00 0.00 C ATOM 883 CD2 LEU A 60 -6.518 14.431 -4.663 1.00 0.00 C ATOM 0 H LEU A 60 -8.569 11.034 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.107 13.461 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.356 11.035 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.747 12.304 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.148 12.686 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.182 13.011 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.872 11.378 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.192 12.599 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.618 14.953 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.725 14.679 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.360 14.738 -4.042 1.00 0.00 H new ATOM 895 N MET A 61 -10.858 10.911 -4.009 1.00 0.00 N ATOM 896 CA MET A 61 -11.902 9.966 -4.476 1.00 0.00 C ATOM 897 C MET A 61 -13.349 10.479 -4.219 1.00 0.00 C ATOM 898 O MET A 61 -14.307 9.709 -4.325 1.00 0.00 O ATOM 899 CB MET A 61 -11.637 8.559 -3.846 1.00 0.00 C ATOM 900 CG MET A 61 -11.490 8.512 -2.309 1.00 0.00 C ATOM 901 SD MET A 61 -13.044 8.777 -1.423 1.00 0.00 S ATOM 902 CE MET A 61 -12.525 8.576 0.289 1.00 0.00 C ATOM 0 H MET A 61 -10.780 10.963 -2.993 1.00 0.00 H new ATOM 0 HA MET A 61 -11.833 9.884 -5.561 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.455 7.897 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A 61 -10.728 8.152 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.078 7.545 -2.021 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.771 9.270 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.345 8.851 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 61 -12.248 7.537 0.466 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.667 9.219 0.487 1.00 0.00 H new ATOM 912 N THR A 62 -13.503 11.786 -3.912 1.00 0.00 N ATOM 913 CA THR A 62 -14.839 12.448 -3.848 1.00 0.00 C ATOM 914 C THR A 62 -15.447 12.614 -5.277 1.00 0.00 C ATOM 915 O THR A 62 -14.839 13.280 -6.123 1.00 0.00 O ATOM 916 CB THR A 62 -14.762 13.855 -3.148 1.00 0.00 C ATOM 917 OG1 THR A 62 -14.334 13.708 -1.782 1.00 0.00 O ATOM 918 CG2 THR A 62 -16.115 14.602 -3.165 1.00 0.00 C ATOM 0 H THR A 62 -12.723 12.409 -3.704 1.00 0.00 H new ATOM 0 HA THR A 62 -15.483 11.801 -3.252 1.00 0.00 H new ATOM 0 HB THR A 62 -14.042 14.445 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.537 13.139 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 62 -16.004 15.566 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.431 14.758 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 62 -16.865 14.009 -2.642 1.00 0.00 H new ATOM 926 N PRO A 63 -16.642 11.998 -5.576 1.00 0.00 N ATOM 927 CA PRO A 63 -17.324 12.134 -6.899 1.00 0.00 C ATOM 928 C PRO A 63 -17.709 13.604 -7.254 1.00 0.00 C ATOM 929 O PRO A 63 -18.597 14.194 -6.630 1.00 0.00 O ATOM 930 CB PRO A 63 -18.586 11.231 -6.753 1.00 0.00 C ATOM 931 CG PRO A 63 -18.256 10.290 -5.632 1.00 0.00 C ATOM 932 CD PRO A 63 -17.412 11.100 -4.672 1.00 0.00 C ATOM 0 HA PRO A 63 -16.669 11.838 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -19.472 11.823 -6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.794 10.690 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.160 9.922 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.712 9.419 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -18.027 11.664 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.754 10.465 -4.079 1.00 0.00 H new ATOM 940 N ARG A 64 -16.994 14.193 -8.236 1.00 0.00 N ATOM 941 CA ARG A 64 -17.276 15.560 -8.742 1.00 0.00 C ATOM 942 C ARG A 64 -18.235 15.508 -9.964 1.00 0.00 C ATOM 943 O ARG A 64 -17.957 14.780 -10.915 1.00 0.00 O ATOM 944 CB ARG A 64 -15.958 16.285 -9.138 1.00 0.00 C ATOM 945 CG ARG A 64 -14.972 16.497 -7.967 1.00 0.00 C ATOM 946 CD ARG A 64 -13.719 17.291 -8.384 1.00 0.00 C ATOM 947 NE ARG A 64 -14.039 18.655 -8.864 1.00 0.00 N ATOM 948 CZ ARG A 64 -13.217 19.686 -8.852 1.00 0.00 C ATOM 949 NH1 ARG A 64 -12.021 19.587 -8.370 1.00 0.00 N ATOM 950 NH2 ARG A 64 -13.608 20.828 -9.311 1.00 0.00 N ATOM 0 H ARG A 64 -16.208 13.739 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.758 16.119 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.460 15.708 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -16.206 17.255 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.480 17.025 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.669 15.527 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.038 17.359 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.195 16.748 -9.170 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.976 18.810 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.697 18.698 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.402 20.398 -8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.552 20.932 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.973 21.626 -9.302 1.00 0.00 H new ATOM 964 N PRO A 65 -19.357 16.314 -9.971 1.00 0.00 N ATOM 965 CA PRO A 65 -20.378 16.284 -11.073 1.00 0.00 C ATOM 966 C PRO A 65 -19.824 16.776 -12.440 1.00 0.00 C ATOM 967 O PRO A 65 -20.352 16.427 -13.505 1.00 0.00 O ATOM 968 CB PRO A 65 -21.493 17.229 -10.545 1.00 0.00 C ATOM 969 CG PRO A 65 -20.777 18.160 -9.606 1.00 0.00 C ATOM 970 CD PRO A 65 -19.717 17.316 -8.925 1.00 0.00 C ATOM 0 HA PRO A 65 -20.720 15.270 -11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.970 17.775 -11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -22.277 16.672 -10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -20.327 18.993 -10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -21.466 18.588 -8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.856 17.914 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -20.100 16.838 -8.024 1.00 0.00 H new ATOM 978 N GLU A 66 -18.754 17.580 -12.373 1.00 0.00 N ATOM 979 CA GLU A 66 -18.063 18.159 -13.547 1.00 0.00 C ATOM 980 C GLU A 66 -17.408 17.070 -14.435 1.00 0.00 C ATOM 981 O GLU A 66 -17.325 17.212 -15.657 1.00 0.00 O ATOM 982 CB GLU A 66 -16.982 19.135 -13.020 1.00 0.00 C ATOM 983 CG GLU A 66 -17.532 20.250 -12.093 1.00 0.00 C ATOM 984 CD GLU A 66 -16.497 20.744 -11.072 1.00 0.00 C ATOM 985 OE1 GLU A 66 -15.718 21.673 -11.385 1.00 0.00 O ATOM 986 OE2 GLU A 66 -16.439 20.173 -9.957 1.00 0.00 O ATOM 0 H GLU A 66 -18.332 17.855 -11.486 1.00 0.00 H new ATOM 0 HA GLU A 66 -18.792 18.676 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.228 18.566 -12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.481 19.598 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.864 21.091 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.408 19.875 -11.563 1.00 0.00 H new ATOM 993 N PHE A 67 -16.939 15.984 -13.788 1.00 0.00 N ATOM 994 CA PHE A 67 -16.215 14.871 -14.461 1.00 0.00 C ATOM 995 C PHE A 67 -16.979 13.528 -14.354 1.00 0.00 C ATOM 996 O PHE A 67 -16.695 12.594 -15.113 1.00 0.00 O ATOM 997 CB PHE A 67 -14.805 14.712 -13.823 1.00 0.00 C ATOM 998 CG PHE A 67 -13.974 15.996 -13.825 1.00 0.00 C ATOM 999 CD1 PHE A 67 -13.266 16.387 -14.963 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -13.916 16.820 -12.695 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -12.524 17.555 -14.969 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -13.172 17.986 -12.706 1.00 0.00 C ATOM 1003 CZ PHE A 67 -12.478 18.352 -13.843 1.00 0.00 C ATOM 0 H PHE A 67 -17.048 15.848 -12.783 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.132 15.123 -15.518 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.919 14.367 -12.795 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.259 13.937 -14.361 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.298 15.771 -15.849 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.459 16.542 -11.804 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.980 17.843 -15.856 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -13.134 18.610 -11.826 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.898 19.263 -13.851 1.00 0.00 H new ATOM 1013 N ASN A 68 -17.943 13.464 -13.399 1.00 0.00 N ATOM 1014 CA ASN A 68 -18.622 12.220 -12.939 1.00 0.00 C ATOM 1015 C ASN A 68 -17.623 11.274 -12.200 1.00 0.00 C ATOM 1016 O ASN A 68 -17.734 11.054 -10.982 1.00 0.00 O ATOM 1017 CB ASN A 68 -19.368 11.491 -14.100 1.00 0.00 C ATOM 1018 CG ASN A 68 -20.116 10.231 -13.645 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -19.584 9.126 -13.687 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -21.348 10.389 -13.199 1.00 0.00 N ATOM 0 H ASN A 68 -18.279 14.296 -12.914 1.00 0.00 H new ATOM 0 HA ASN A 68 -19.387 12.515 -12.221 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.077 12.181 -14.556 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -18.647 11.219 -14.871 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -21.882 9.581 -12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.766 11.319 -13.175 1.00 0.00 H new ATOM 1027 N PHE A 69 -16.653 10.735 -12.955 1.00 0.00 N ATOM 1028 CA PHE A 69 -15.597 9.840 -12.434 1.00 0.00 C ATOM 1029 C PHE A 69 -14.531 10.642 -11.620 1.00 0.00 C ATOM 1030 O PHE A 69 -13.937 11.591 -12.152 1.00 0.00 O ATOM 1031 CB PHE A 69 -14.917 9.098 -13.619 1.00 0.00 C ATOM 1032 CG PHE A 69 -15.893 8.323 -14.507 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -16.268 7.017 -14.192 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -16.436 8.900 -15.656 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -17.150 6.314 -14.995 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -17.318 8.197 -16.456 1.00 0.00 C ATOM 1037 CZ PHE A 69 -17.674 6.906 -16.127 1.00 0.00 C ATOM 0 H PHE A 69 -16.575 10.908 -13.957 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.056 9.115 -11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.383 9.824 -14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.173 8.406 -13.223 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.864 6.547 -13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -16.163 9.910 -15.924 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -17.428 5.303 -14.736 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.729 8.660 -17.341 1.00 0.00 H new ATOM 0 HZ PHE A 69 -18.362 6.359 -16.754 1.00 0.00 H new ATOM 1047 N PRO A 70 -14.290 10.295 -10.311 1.00 0.00 N ATOM 1048 CA PRO A 70 -13.235 10.937 -9.478 1.00 0.00 C ATOM 1049 C PRO A 70 -11.837 10.261 -9.642 1.00 0.00 C ATOM 1050 O PRO A 70 -11.524 9.708 -10.706 1.00 0.00 O ATOM 1051 CB PRO A 70 -13.815 10.743 -8.055 1.00 0.00 C ATOM 1052 CG PRO A 70 -14.481 9.395 -8.111 1.00 0.00 C ATOM 1053 CD PRO A 70 -15.042 9.267 -9.526 1.00 0.00 C ATOM 0 HA PRO A 70 -13.038 11.975 -9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.031 10.769 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.527 11.529 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -13.769 8.598 -7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.274 9.320 -7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.886 8.266 -9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.115 9.455 -9.548 1.00 0.00 H new ATOM 1061 N GLY A 71 -10.994 10.344 -8.590 1.00 0.00 N ATOM 1062 CA GLY A 71 -9.693 9.651 -8.561 1.00 0.00 C ATOM 1063 C GLY A 71 -9.801 8.163 -8.190 1.00 0.00 C ATOM 1064 O GLY A 71 -10.892 7.580 -8.243 1.00 0.00 O ATOM 0 H GLY A 71 -11.194 10.886 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.220 9.740 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.040 10.150 -7.845 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.663 7.558 -7.795 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.560 6.099 -7.509 1.00 0.00 C ATOM 1070 C LEU A 72 -9.373 5.686 -6.251 1.00 0.00 C ATOM 1071 O LEU A 72 -9.373 6.388 -5.230 1.00 0.00 O ATOM 1072 CB LEU A 72 -7.064 5.656 -7.355 1.00 0.00 C ATOM 1073 CG LEU A 72 -6.160 5.709 -8.640 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -6.796 4.936 -9.817 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.784 7.160 -9.034 1.00 0.00 C ATOM 0 H LEU A 72 -7.785 8.060 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.993 5.583 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.603 6.284 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.052 4.634 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.227 5.204 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.142 4.995 -10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.932 3.892 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.764 5.375 -10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.159 7.144 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.692 7.729 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.236 7.629 -8.216 1.00 0.00 H new ATOM 1087 N LYS A 73 -10.053 4.529 -6.349 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.901 3.966 -5.277 1.00 0.00 C ATOM 1089 C LYS A 73 -10.231 2.757 -4.589 1.00 0.00 C ATOM 1090 O LYS A 73 -9.108 2.354 -4.923 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.289 3.561 -5.867 1.00 0.00 C ATOM 1092 CG LYS A 73 -13.249 4.740 -6.120 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.681 5.433 -4.806 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.745 6.520 -5.018 1.00 0.00 C ATOM 1095 NZ LYS A 73 -15.167 7.123 -3.731 1.00 0.00 N ATOM 0 H LYS A 73 -10.030 3.948 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.039 4.733 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.129 3.032 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.768 2.860 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.764 5.468 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.133 4.380 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.069 4.683 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.806 5.878 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.349 7.296 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.611 6.090 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.193 7.004 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.671 6.652 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.934 8.136 -3.729 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.950 2.194 -3.603 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.504 1.026 -2.827 1.00 0.00 C ATOM 1111 C ALA A 74 -10.811 -0.292 -3.573 1.00 0.00 C ATOM 1112 O ALA A 74 -11.972 -0.575 -3.888 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.180 1.037 -1.456 1.00 0.00 C ATOM 0 H ALA A 74 -11.866 2.541 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.423 1.086 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.850 0.172 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.911 1.950 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.262 0.997 -1.583 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.772 -1.108 -3.810 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.899 -2.341 -4.614 1.00 0.00 C ATOM 1121 C GLY A 75 -9.198 -2.258 -5.979 1.00 0.00 C ATOM 1122 O GLY A 75 -9.052 -3.273 -6.671 1.00 0.00 O ATOM 0 H GLY A 75 -8.830 -0.938 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.483 -3.177 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.956 -2.556 -4.770 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.757 -1.049 -6.369 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.074 -0.811 -7.659 1.00 0.00 C ATOM 1128 C ASP A 76 -6.549 -1.091 -7.548 1.00 0.00 C ATOM 1129 O ASP A 76 -5.743 -0.182 -7.307 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.362 0.639 -8.139 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.862 0.883 -8.408 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.640 1.007 -7.439 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.274 0.926 -9.590 1.00 0.00 O ATOM 0 H ASP A 76 -8.863 -0.208 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.465 -1.505 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.011 1.344 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.796 0.837 -9.049 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.169 -2.379 -7.695 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.748 -2.810 -7.625 1.00 0.00 C ATOM 1140 C ARG A 77 -4.033 -2.656 -9.004 1.00 0.00 C ATOM 1141 O ARG A 77 -3.920 -3.610 -9.775 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.625 -4.283 -7.053 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.807 -5.263 -7.353 1.00 0.00 C ATOM 1144 CD ARG A 77 -6.031 -5.566 -8.848 1.00 0.00 C ATOM 1145 NE ARG A 77 -7.200 -6.434 -9.081 1.00 0.00 N ATOM 1146 CZ ARG A 77 -8.043 -6.330 -10.084 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -7.944 -5.377 -10.963 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -9.009 -7.175 -10.186 1.00 0.00 N ATOM 0 H ARG A 77 -6.825 -3.142 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.234 -2.148 -6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.710 -4.725 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.506 -4.217 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.624 -6.202 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.724 -4.841 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.165 -4.629 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.141 -6.045 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.369 -7.179 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.198 -4.686 -10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.612 -5.321 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.114 -7.916 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.669 -7.104 -10.960 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.503 -1.441 -9.258 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.791 -1.093 -10.516 1.00 0.00 C ATOM 1164 C TRP A 78 -2.340 0.381 -10.460 1.00 0.00 C ATOM 1165 O TRP A 78 -3.178 1.272 -10.270 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.684 -1.325 -11.777 1.00 0.00 C ATOM 1167 CG TRP A 78 -2.942 -1.184 -13.091 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.051 -2.072 -13.627 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.039 -0.101 -14.032 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -1.586 -1.605 -14.829 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.180 -0.399 -15.101 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.773 1.092 -14.067 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.029 0.446 -16.199 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.624 1.936 -15.155 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -2.757 1.607 -16.210 1.00 0.00 C ATOM 0 H TRP A 78 -3.555 -0.667 -8.596 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.924 -1.748 -10.602 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.120 -2.323 -11.723 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.511 -0.615 -11.760 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -1.757 -3.005 -13.170 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.907 -2.078 -15.425 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.443 1.349 -13.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.363 0.195 -17.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.182 2.860 -15.193 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.662 2.283 -17.047 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.014 0.618 -10.611 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.397 1.981 -10.591 1.00 0.00 C ATOM 1188 C CYS A 79 -0.678 2.762 -9.275 1.00 0.00 C ATOM 1189 O CYS A 79 -0.636 4.001 -9.255 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.820 2.795 -11.842 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.225 2.102 -13.409 1.00 0.00 S ATOM 0 H CYS A 79 -0.334 -0.129 -10.751 1.00 0.00 H new ATOM 0 HA CYS A 79 0.683 1.837 -10.623 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.908 2.855 -11.873 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.447 3.814 -11.743 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.091 1.244 -13.861 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.921 2.012 -8.178 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.115 2.584 -6.827 1.00 0.00 C ATOM 1199 C LEU A 80 0.205 3.227 -6.347 1.00 0.00 C ATOM 1200 O LEU A 80 1.247 2.567 -6.338 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.614 1.466 -5.832 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.978 1.869 -4.341 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.749 1.907 -3.392 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.779 3.196 -4.289 1.00 0.00 C ATOM 0 H LEU A 80 -0.988 0.995 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.880 3.360 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.497 1.004 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.842 0.698 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.620 1.072 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.072 2.190 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.284 0.922 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.028 2.637 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.011 3.441 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.184 3.998 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.706 3.084 -4.851 1.00 0.00 H new ATOM 1216 N CYS A 81 0.146 4.524 -5.986 1.00 0.00 N ATOM 1217 CA CYS A 81 1.294 5.261 -5.413 1.00 0.00 C ATOM 1218 C CYS A 81 1.721 4.598 -4.081 1.00 0.00 C ATOM 1219 O CYS A 81 1.028 4.731 -3.076 1.00 0.00 O ATOM 1220 CB CYS A 81 0.910 6.745 -5.191 1.00 0.00 C ATOM 1221 SG CYS A 81 0.292 7.586 -6.668 1.00 0.00 S ATOM 0 H CYS A 81 -0.696 5.091 -6.082 1.00 0.00 H new ATOM 0 HA CYS A 81 2.135 5.225 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.149 6.798 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.783 7.282 -4.821 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.002 8.818 -6.375 1.00 0.00 H new ATOM 1227 N ALA A 82 2.858 3.869 -4.105 1.00 0.00 N ATOM 1228 CA ALA A 82 3.299 2.982 -2.995 1.00 0.00 C ATOM 1229 C ALA A 82 3.503 3.710 -1.641 1.00 0.00 C ATOM 1230 O ALA A 82 3.466 3.067 -0.600 1.00 0.00 O ATOM 1231 CB ALA A 82 4.569 2.218 -3.388 1.00 0.00 C ATOM 0 H ALA A 82 3.502 3.876 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 82 2.480 2.281 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.876 1.575 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.369 1.608 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.366 2.927 -3.611 1.00 0.00 H new ATOM 1237 N SER A 83 3.752 5.037 -1.673 1.00 0.00 N ATOM 1238 CA SER A 83 3.879 5.878 -0.445 1.00 0.00 C ATOM 1239 C SER A 83 2.554 5.936 0.373 1.00 0.00 C ATOM 1240 O SER A 83 2.588 6.111 1.590 1.00 0.00 O ATOM 1241 CB SER A 83 4.335 7.306 -0.814 1.00 0.00 C ATOM 1242 OG SER A 83 5.583 7.285 -1.500 1.00 0.00 O ATOM 0 H SER A 83 3.871 5.560 -2.540 1.00 0.00 H new ATOM 0 HA SER A 83 4.633 5.408 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.580 7.782 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.424 7.908 0.090 1.00 0.00 H new ATOM 0 HG SER A 83 5.849 8.201 -1.724 1.00 0.00 H new ATOM 1248 N ARG A 84 1.401 5.827 -0.331 1.00 0.00 N ATOM 1249 CA ARG A 84 0.047 5.671 0.287 1.00 0.00 C ATOM 1250 C ARG A 84 0.014 4.416 1.203 1.00 0.00 C ATOM 1251 O ARG A 84 -0.442 4.458 2.348 1.00 0.00 O ATOM 1252 CB ARG A 84 -1.017 5.522 -0.849 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.502 5.520 -0.404 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.998 6.914 0.055 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.811 7.948 -0.987 1.00 0.00 N ATOM 1256 CZ ARG A 84 -3.667 8.250 -1.948 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -4.789 7.609 -2.093 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -3.385 9.197 -2.777 1.00 0.00 N ATOM 0 H ARG A 84 1.377 5.844 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.176 6.550 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.874 6.336 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.819 4.593 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.123 5.174 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.630 4.808 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.054 6.853 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.462 7.209 0.957 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.940 8.478 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.029 6.850 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.429 7.865 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.506 9.707 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.041 9.436 -3.521 1.00 0.00 H new ATOM 1272 N TRP A 85 0.531 3.314 0.647 1.00 0.00 N ATOM 1273 CA TRP A 85 0.645 2.006 1.319 1.00 0.00 C ATOM 1274 C TRP A 85 1.749 2.012 2.428 1.00 0.00 C ATOM 1275 O TRP A 85 1.540 1.486 3.529 1.00 0.00 O ATOM 1276 CB TRP A 85 0.875 0.924 0.215 1.00 0.00 C ATOM 1277 CG TRP A 85 1.389 -0.401 0.707 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.448 -1.079 0.203 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.890 -1.199 1.797 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.681 -2.201 0.940 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.734 -2.306 1.905 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.170 -1.082 2.697 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.564 -3.279 2.872 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.335 -2.055 3.649 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.529 -3.144 3.728 1.00 0.00 C ATOM 0 H TRP A 85 0.892 3.303 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.274 1.771 1.856 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.067 0.758 -0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.580 1.319 -0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.024 -0.774 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.447 -2.858 0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.847 -0.242 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.238 -4.120 2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.151 -1.975 4.352 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.368 -3.894 4.488 1.00 0.00 H new ATOM 1296 N GLN A 86 2.888 2.650 2.132 1.00 0.00 N ATOM 1297 CA GLN A 86 4.063 2.712 3.037 1.00 0.00 C ATOM 1298 C GLN A 86 3.719 3.462 4.347 1.00 0.00 C ATOM 1299 O GLN A 86 3.979 2.969 5.450 1.00 0.00 O ATOM 1300 CB GLN A 86 5.263 3.378 2.294 1.00 0.00 C ATOM 1301 CG GLN A 86 6.572 3.533 3.108 1.00 0.00 C ATOM 1302 CD GLN A 86 7.130 2.218 3.665 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.911 1.529 3.017 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.756 1.876 4.886 1.00 0.00 N ATOM 0 H GLN A 86 3.030 3.145 1.252 1.00 0.00 H new ATOM 0 HA GLN A 86 4.349 1.698 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.482 2.791 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.951 4.366 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.328 3.994 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.391 4.217 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.105 2.466 5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.118 1.022 5.310 1.00 0.00 H new ATOM 1313 N GLU A 87 3.085 4.637 4.198 1.00 0.00 N ATOM 1314 CA GLU A 87 2.640 5.472 5.337 1.00 0.00 C ATOM 1315 C GLU A 87 1.493 4.790 6.131 1.00 0.00 C ATOM 1316 O GLU A 87 1.365 5.003 7.337 1.00 0.00 O ATOM 1317 CB GLU A 87 2.205 6.876 4.831 1.00 0.00 C ATOM 1318 CG GLU A 87 1.875 7.889 5.947 1.00 0.00 C ATOM 1319 CD GLU A 87 1.564 9.297 5.418 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.509 10.094 5.224 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.379 9.605 5.169 1.00 0.00 O ATOM 0 H GLU A 87 2.864 5.039 3.287 1.00 0.00 H new ATOM 0 HA GLU A 87 3.481 5.589 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.001 7.286 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.329 6.762 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.020 7.525 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.717 7.946 6.637 1.00 0.00 H new ATOM 1328 N ALA A 88 0.685 3.952 5.441 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.423 3.189 6.070 1.00 0.00 C ATOM 1330 C ALA A 88 0.101 2.167 7.096 1.00 0.00 C ATOM 1331 O ALA A 88 -0.488 1.992 8.175 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.264 2.479 4.997 1.00 0.00 C ATOM 0 H ALA A 88 0.780 3.785 4.439 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.052 3.903 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.071 1.925 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.685 3.219 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.632 1.789 4.437 1.00 0.00 H new ATOM 1338 N PHE A 89 1.209 1.495 6.736 1.00 0.00 N ATOM 1339 CA PHE A 89 1.895 0.539 7.621 1.00 0.00 C ATOM 1340 C PHE A 89 2.523 1.260 8.832 1.00 0.00 C ATOM 1341 O PHE A 89 2.323 0.853 9.978 1.00 0.00 O ATOM 1342 CB PHE A 89 2.956 -0.255 6.822 1.00 0.00 C ATOM 1343 CG PHE A 89 3.712 -1.308 7.640 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.085 -2.495 8.027 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.041 -1.110 8.031 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.759 -3.441 8.776 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.711 -2.060 8.783 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.070 -3.225 9.152 1.00 0.00 C ATOM 0 H PHE A 89 1.653 1.600 5.824 1.00 0.00 H new ATOM 0 HA PHE A 89 1.162 -0.167 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.466 -0.748 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.677 0.447 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.060 -2.676 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.551 -0.203 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.259 -4.352 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.735 -1.889 9.081 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.594 -3.968 9.735 1.00 0.00 H new ATOM 1358 N GLU A 90 3.251 2.353 8.553 1.00 0.00 N ATOM 1359 CA GLU A 90 3.923 3.182 9.588 1.00 0.00 C ATOM 1360 C GLU A 90 2.909 3.867 10.547 1.00 0.00 C ATOM 1361 O GLU A 90 3.249 4.185 11.692 1.00 0.00 O ATOM 1362 CB GLU A 90 4.823 4.236 8.889 1.00 0.00 C ATOM 1363 CG GLU A 90 5.934 3.626 8.007 1.00 0.00 C ATOM 1364 CD GLU A 90 6.735 4.683 7.231 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.258 5.145 6.175 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.843 5.061 7.669 1.00 0.00 O ATOM 0 H GLU A 90 3.396 2.695 7.603 1.00 0.00 H new ATOM 0 HA GLU A 90 4.535 2.526 10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.197 4.882 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.282 4.868 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.615 3.052 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.486 2.927 7.301 1.00 0.00 H new ATOM 1373 N ALA A 91 1.666 4.081 10.064 1.00 0.00 N ATOM 1374 CA ALA A 91 0.551 4.638 10.876 1.00 0.00 C ATOM 1375 C ALA A 91 -0.065 3.569 11.819 1.00 0.00 C ATOM 1376 O ALA A 91 -0.699 3.906 12.829 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.526 5.233 9.949 1.00 0.00 C ATOM 0 H ALA A 91 1.403 3.874 9.101 1.00 0.00 H new ATOM 0 HA ALA A 91 0.956 5.429 11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.340 5.639 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.088 6.029 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.913 4.453 9.294 1.00 0.00 H new ATOM 1383 N GLY A 92 0.119 2.278 11.465 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.347 1.148 12.293 1.00 0.00 C ATOM 1385 C GLY A 92 -1.598 0.444 11.752 1.00 0.00 C ATOM 1386 O GLY A 92 -2.041 -0.558 12.326 1.00 0.00 O ATOM 0 H GLY A 92 0.590 1.994 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.458 0.418 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.555 1.511 13.299 1.00 0.00 H new ATOM 1390 N MET A 93 -2.185 0.977 10.662 1.00 0.00 N ATOM 1391 CA MET A 93 -3.390 0.388 10.021 1.00 0.00 C ATOM 1392 C MET A 93 -2.972 -0.728 9.037 1.00 0.00 C ATOM 1393 O MET A 93 -3.130 -1.918 9.336 1.00 0.00 O ATOM 1394 CB MET A 93 -4.232 1.484 9.293 1.00 0.00 C ATOM 1395 CG MET A 93 -4.735 2.615 10.197 1.00 0.00 C ATOM 1396 SD MET A 93 -3.386 3.613 10.863 1.00 0.00 S ATOM 1397 CE MET A 93 -4.266 4.804 11.867 1.00 0.00 C ATOM 0 H MET A 93 -1.845 1.821 10.200 1.00 0.00 H new ATOM 0 HA MET A 93 -4.018 -0.047 10.799 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.627 1.917 8.496 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.090 1.008 8.819 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.412 3.255 9.631 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.310 2.191 11.020 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.553 5.482 12.336 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.950 5.375 11.239 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.832 4.282 12.638 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.410 -0.310 7.881 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.901 -1.204 6.821 1.00 0.00 C ATOM 1409 C ALA A 94 -2.968 -2.190 6.239 1.00 0.00 C ATOM 1410 O ALA A 94 -3.230 -3.251 6.820 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.648 -1.951 7.297 1.00 0.00 C ATOM 0 H ALA A 94 -2.296 0.678 7.656 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.634 -0.554 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.289 -2.604 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.129 -1.231 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.893 -2.549 8.175 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.630 -1.815 5.098 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.500 -2.739 4.297 1.00 0.00 C ATOM 1419 C PRO A 95 -3.802 -4.054 3.819 1.00 0.00 C ATOM 1420 O PRO A 95 -2.574 -4.143 3.807 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.882 -1.860 3.076 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.847 -0.467 3.611 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.655 -0.437 4.539 1.00 0.00 C ATOM 0 HA PRO A 95 -5.335 -3.104 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.178 -1.990 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.870 -2.116 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.741 0.262 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.767 -0.224 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.734 -0.201 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.771 0.313 5.321 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.586 -5.110 3.428 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.025 -6.309 2.750 1.00 0.00 C ATOM 1433 C PRO A 96 -3.549 -5.984 1.301 1.00 0.00 C ATOM 1434 O PRO A 96 -4.346 -5.573 0.443 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.205 -7.316 2.770 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.437 -6.459 2.836 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.055 -5.239 3.648 1.00 0.00 C ATOM 0 HA PRO A 96 -3.135 -6.700 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.206 -7.943 1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.141 -7.984 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.768 -6.175 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.261 -6.997 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.589 -4.351 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.291 -5.371 4.704 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.238 -6.144 1.054 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.605 -5.834 -0.244 1.00 0.00 C ATOM 1447 C VAL A 97 -1.400 -7.133 -1.078 1.00 0.00 C ATOM 1448 O VAL A 97 -1.427 -8.243 -0.545 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.243 -5.059 -0.012 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.788 -5.920 0.752 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.361 -4.500 -1.325 1.00 0.00 C ATOM 0 H VAL A 97 -1.582 -6.494 1.752 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.265 -5.184 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.490 -4.201 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.707 -5.350 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.382 -6.195 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.003 -6.823 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.293 -3.979 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.559 -5.322 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.343 -3.805 -1.783 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.239 -6.968 -2.392 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.013 -8.078 -3.351 1.00 0.00 C ATOM 1463 C VAL A 98 0.499 -8.351 -3.594 1.00 0.00 C ATOM 1464 O VAL A 98 1.118 -7.660 -4.371 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.732 -7.772 -4.738 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.241 -8.046 -4.674 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.491 -6.307 -5.201 1.00 0.00 C ATOM 0 H VAL A 98 -1.260 -6.051 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.444 -8.974 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.286 -8.449 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.692 -7.824 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.410 -9.094 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.693 -7.415 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.998 -6.138 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.884 -5.619 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.422 -6.136 -5.325 1.00 0.00 H new ATOM 1477 N LEU A 99 1.088 -9.376 -2.945 1.00 0.00 N ATOM 1478 CA LEU A 99 2.482 -9.829 -3.270 1.00 0.00 C ATOM 1479 C LEU A 99 2.534 -10.611 -4.609 1.00 0.00 C ATOM 1480 O LEU A 99 3.612 -10.802 -5.190 1.00 0.00 O ATOM 1481 CB LEU A 99 3.110 -10.666 -2.104 1.00 0.00 C ATOM 1482 CG LEU A 99 4.173 -9.919 -1.231 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.672 -10.802 -0.074 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.351 -9.406 -2.100 1.00 0.00 C ATOM 0 H LEU A 99 0.638 -9.908 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 99 3.086 -8.929 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.306 -11.008 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.575 -11.555 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 99 3.685 -9.050 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.409 -10.252 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.831 -11.075 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.130 -11.705 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.073 -8.891 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.835 -10.250 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.973 -8.716 -2.854 1.00 0.00 H new ATOM 1496 N GLN A 100 1.361 -11.064 -5.076 1.00 0.00 N ATOM 1497 CA GLN A 100 1.197 -11.720 -6.390 1.00 0.00 C ATOM 1498 C GLN A 100 1.267 -10.702 -7.570 1.00 0.00 C ATOM 1499 O GLN A 100 1.375 -11.106 -8.732 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.161 -12.474 -6.414 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.402 -11.559 -6.281 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.712 -12.338 -6.190 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.337 -12.651 -7.193 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.137 -12.651 -4.984 1.00 0.00 N ATOM 0 H GLN A 100 0.490 -10.987 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 100 2.021 -12.421 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.236 -13.034 -7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.173 -13.202 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.294 -10.936 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.444 -10.887 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.595 -12.377 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.009 -13.168 -4.869 1.00 0.00 H new ATOM 1513 N SER A 101 1.204 -9.383 -7.265 1.00 0.00 N ATOM 1514 CA SER A 101 1.166 -8.312 -8.299 1.00 0.00 C ATOM 1515 C SER A 101 2.243 -7.222 -8.050 1.00 0.00 C ATOM 1516 O SER A 101 2.843 -6.721 -9.011 1.00 0.00 O ATOM 1517 CB SER A 101 -0.245 -7.689 -8.362 1.00 0.00 C ATOM 1518 OG SER A 101 -0.331 -6.659 -9.331 1.00 0.00 O ATOM 0 H SER A 101 1.178 -9.031 -6.308 1.00 0.00 H new ATOM 0 HA SER A 101 1.396 -8.769 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.974 -8.466 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.508 -7.288 -7.383 1.00 0.00 H new ATOM 0 HG SER A 101 -0.330 -7.053 -10.228 1.00 0.00 H new ATOM 1524 N THR A 102 2.458 -6.822 -6.769 1.00 0.00 N ATOM 1525 CA THR A 102 3.593 -5.921 -6.388 1.00 0.00 C ATOM 1526 C THR A 102 4.961 -6.492 -6.844 1.00 0.00 C ATOM 1527 O THR A 102 5.520 -7.397 -6.212 1.00 0.00 O ATOM 1528 CB THR A 102 3.672 -5.611 -4.842 1.00 0.00 C ATOM 1529 OG1 THR A 102 3.751 -6.822 -4.074 1.00 0.00 O ATOM 1530 CG2 THR A 102 2.486 -4.770 -4.345 1.00 0.00 C ATOM 0 H THR A 102 1.869 -7.103 -5.985 1.00 0.00 H new ATOM 0 HA THR A 102 3.382 -4.987 -6.909 1.00 0.00 H new ATOM 0 HB THR A 102 4.581 -5.027 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.851 -7.189 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.592 -4.587 -3.276 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.467 -3.818 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.556 -5.307 -4.531 1.00 0.00 H new ATOM 1538 N GLU A 103 5.453 -5.973 -7.979 1.00 0.00 N ATOM 1539 CA GLU A 103 6.811 -6.255 -8.496 1.00 0.00 C ATOM 1540 C GLU A 103 7.896 -5.670 -7.546 1.00 0.00 C ATOM 1541 O GLU A 103 7.632 -4.710 -6.812 1.00 0.00 O ATOM 1542 CB GLU A 103 6.924 -5.651 -9.931 1.00 0.00 C ATOM 1543 CG GLU A 103 8.289 -5.802 -10.644 1.00 0.00 C ATOM 1544 CD GLU A 103 8.741 -7.263 -10.828 1.00 0.00 C ATOM 1545 OE1 GLU A 103 8.200 -7.962 -11.708 1.00 0.00 O ATOM 1546 OE2 GLU A 103 9.659 -7.709 -10.105 1.00 0.00 O ATOM 0 H GLU A 103 4.919 -5.339 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 103 6.978 -7.331 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.161 -6.114 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.686 -4.589 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.231 -5.324 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.047 -5.267 -10.072 1.00 0.00 H new ATOM 1553 N LYS A 104 9.106 -6.261 -7.569 1.00 0.00 N ATOM 1554 CA LYS A 104 10.276 -5.806 -6.768 1.00 0.00 C ATOM 1555 C LYS A 104 10.634 -4.309 -7.049 1.00 0.00 C ATOM 1556 O LYS A 104 11.235 -3.641 -6.201 1.00 0.00 O ATOM 1557 CB LYS A 104 11.485 -6.774 -7.044 1.00 0.00 C ATOM 1558 CG LYS A 104 12.761 -6.572 -6.165 1.00 0.00 C ATOM 1559 CD LYS A 104 13.763 -5.532 -6.743 1.00 0.00 C ATOM 1560 CE LYS A 104 14.919 -5.218 -5.782 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.854 -4.221 -6.352 1.00 0.00 N ATOM 0 H LYS A 104 9.308 -7.076 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 104 10.025 -5.849 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.138 -7.799 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.773 -6.669 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.457 -6.255 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.270 -7.530 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.170 -5.909 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.229 -4.610 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.517 -4.843 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.461 -6.136 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.620 -4.036 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.257 -4.589 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.342 -3.337 -6.546 1.00 0.00 H new ATOM 1575 N SER A 105 10.233 -3.791 -8.230 1.00 0.00 N ATOM 1576 CA SER A 105 10.416 -2.364 -8.619 1.00 0.00 C ATOM 1577 C SER A 105 9.739 -1.381 -7.624 1.00 0.00 C ATOM 1578 O SER A 105 10.174 -0.227 -7.481 1.00 0.00 O ATOM 1579 CB SER A 105 9.824 -2.148 -10.021 1.00 0.00 C ATOM 1580 OG SER A 105 10.380 -3.035 -10.975 1.00 0.00 O ATOM 0 H SER A 105 9.770 -4.348 -8.948 1.00 0.00 H new ATOM 0 HA SER A 105 11.486 -2.155 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.744 -2.287 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.002 -1.120 -10.335 1.00 0.00 H new ATOM 0 HG SER A 105 10.441 -2.585 -11.843 1.00 0.00 H new ATOM 1586 N ALA A 106 8.667 -1.863 -6.957 1.00 0.00 N ATOM 1587 CA ALA A 106 7.907 -1.100 -5.935 1.00 0.00 C ATOM 1588 C ALA A 106 8.768 -0.707 -4.706 1.00 0.00 C ATOM 1589 O ALA A 106 8.447 0.262 -4.016 1.00 0.00 O ATOM 1590 CB ALA A 106 6.674 -1.910 -5.477 1.00 0.00 C ATOM 0 H ALA A 106 8.299 -2.802 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 106 7.589 -0.171 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.123 -1.342 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.027 -2.104 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.000 -2.857 -5.047 1.00 0.00 H new ATOM 1596 N LEU A 107 9.866 -1.459 -4.455 1.00 0.00 N ATOM 1597 CA LEU A 107 10.781 -1.238 -3.293 1.00 0.00 C ATOM 1598 C LEU A 107 11.580 0.099 -3.377 1.00 0.00 C ATOM 1599 O LEU A 107 12.346 0.420 -2.462 1.00 0.00 O ATOM 1600 CB LEU A 107 11.755 -2.452 -3.108 1.00 0.00 C ATOM 1601 CG LEU A 107 11.188 -3.723 -2.381 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.928 -4.298 -3.069 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.291 -4.804 -2.236 1.00 0.00 C ATOM 0 H LEU A 107 10.149 -2.239 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 107 10.139 -1.158 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.107 -2.756 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.626 -2.105 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 107 10.874 -3.406 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.582 -5.175 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.142 -3.543 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.170 -4.582 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.880 -5.678 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.650 -5.092 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.119 -4.403 -1.652 1.00 0.00 H new ATOM 1615 N ARG A 108 11.431 0.854 -4.483 1.00 0.00 N ATOM 1616 CA ARG A 108 11.921 2.252 -4.569 1.00 0.00 C ATOM 1617 C ARG A 108 11.070 3.210 -3.689 1.00 0.00 C ATOM 1618 O ARG A 108 11.582 4.189 -3.140 1.00 0.00 O ATOM 1619 CB ARG A 108 11.903 2.754 -6.037 1.00 0.00 C ATOM 1620 CG ARG A 108 12.928 2.094 -6.982 1.00 0.00 C ATOM 1621 CD ARG A 108 12.928 2.758 -8.377 1.00 0.00 C ATOM 1622 NE ARG A 108 13.099 4.229 -8.298 1.00 0.00 N ATOM 1623 CZ ARG A 108 13.134 5.068 -9.318 1.00 0.00 C ATOM 1624 NH1 ARG A 108 13.096 4.655 -10.540 1.00 0.00 N ATOM 1625 NH2 ARG A 108 13.218 6.335 -9.095 1.00 0.00 N ATOM 0 H ARG A 108 10.975 0.522 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 108 12.946 2.255 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.905 2.593 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.078 3.830 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.924 2.165 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.699 1.033 -7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.730 2.333 -8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.992 2.530 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 108 13.199 4.632 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.037 3.656 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.125 5.327 -11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.257 6.683 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.246 6.990 -9.877 1.00 0.00 H new ATOM 1639 N TYR A 109 9.766 2.907 -3.582 1.00 0.00 N ATOM 1640 CA TYR A 109 8.756 3.789 -2.938 1.00 0.00 C ATOM 1641 C TYR A 109 8.209 3.167 -1.625 1.00 0.00 C ATOM 1642 O TYR A 109 7.699 3.882 -0.753 1.00 0.00 O ATOM 1643 CB TYR A 109 7.595 4.029 -3.938 1.00 0.00 C ATOM 1644 CG TYR A 109 8.040 4.544 -5.321 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.403 3.657 -6.345 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.110 5.910 -5.597 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.822 4.118 -7.582 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.523 6.373 -6.832 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.881 5.477 -7.818 1.00 0.00 C ATOM 1650 OH TYR A 109 9.309 5.942 -9.043 1.00 0.00 O ATOM 0 H TYR A 109 9.371 2.037 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 109 9.232 4.734 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.048 3.096 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 109 6.900 4.747 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.355 2.593 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.836 6.620 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.101 3.419 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.565 7.435 -7.025 1.00 0.00 H new ATOM 0 HH TYR A 109 9.291 6.922 -9.046 1.00 0.00 H new ATOM 1660 N VAL A 110 8.305 1.828 -1.514 1.00 0.00 N ATOM 1661 CA VAL A 110 7.877 1.064 -0.312 1.00 0.00 C ATOM 1662 C VAL A 110 9.026 0.104 0.136 1.00 0.00 C ATOM 1663 O VAL A 110 10.106 0.125 -0.455 1.00 0.00 O ATOM 1664 CB VAL A 110 6.541 0.258 -0.618 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.792 -1.017 -1.469 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.764 -0.071 0.678 1.00 0.00 C ATOM 0 H VAL A 110 8.682 1.238 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 110 7.668 1.757 0.503 1.00 0.00 H new ATOM 0 HB VAL A 110 5.916 0.917 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.846 -1.528 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.238 -0.736 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.469 -1.684 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.857 -0.622 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.389 -0.678 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.497 0.855 1.187 1.00 0.00 H new ATOM 1676 N SER A 111 8.819 -0.702 1.195 1.00 0.00 N ATOM 1677 CA SER A 111 9.762 -1.794 1.560 1.00 0.00 C ATOM 1678 C SER A 111 9.132 -3.174 1.285 1.00 0.00 C ATOM 1679 O SER A 111 7.916 -3.292 1.103 1.00 0.00 O ATOM 1680 CB SER A 111 10.178 -1.697 3.049 1.00 0.00 C ATOM 1681 OG SER A 111 9.176 -2.188 3.922 1.00 0.00 O ATOM 0 H SER A 111 8.013 -0.624 1.815 1.00 0.00 H new ATOM 0 HA SER A 111 10.652 -1.680 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.099 -2.260 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.394 -0.658 3.296 1.00 0.00 H new ATOM 0 HG SER A 111 8.496 -1.496 4.061 1.00 0.00 H new ATOM 1687 N LEU A 112 9.982 -4.210 1.259 1.00 0.00 N ATOM 1688 CA LEU A 112 9.544 -5.624 1.182 1.00 0.00 C ATOM 1689 C LEU A 112 8.785 -6.042 2.464 1.00 0.00 C ATOM 1690 O LEU A 112 7.795 -6.774 2.389 1.00 0.00 O ATOM 1691 CB LEU A 112 10.783 -6.540 0.920 1.00 0.00 C ATOM 1692 CG LEU A 112 10.599 -8.111 1.064 1.00 0.00 C ATOM 1693 CD1 LEU A 112 11.500 -8.892 0.079 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.871 -8.601 2.520 1.00 0.00 C ATOM 0 H LEU A 112 10.995 -4.098 1.291 1.00 0.00 H new ATOM 0 HA LEU A 112 8.847 -5.738 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.139 -6.338 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.574 -6.233 1.604 1.00 0.00 H new ATOM 0 HG LEU A 112 9.557 -8.314 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.342 -9.962 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.249 -8.612 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.545 -8.653 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.734 -9.681 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.894 -8.351 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.176 -8.113 3.204 1.00 0.00 H new ATOM 1706 N ALA A 113 9.273 -5.569 3.629 1.00 0.00 N ATOM 1707 CA ALA A 113 8.706 -5.920 4.957 1.00 0.00 C ATOM 1708 C ALA A 113 7.238 -5.469 5.104 1.00 0.00 C ATOM 1709 O ALA A 113 6.448 -6.144 5.767 1.00 0.00 O ATOM 1710 CB ALA A 113 9.565 -5.326 6.077 1.00 0.00 C ATOM 0 H ALA A 113 10.069 -4.934 3.681 1.00 0.00 H new ATOM 0 HA ALA A 113 8.717 -7.007 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.137 -5.592 7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.578 -5.722 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.592 -4.241 5.978 1.00 0.00 H new ATOM 1716 N ASP A 114 6.894 -4.327 4.477 1.00 0.00 N ATOM 1717 CA ASP A 114 5.493 -3.869 4.334 1.00 0.00 C ATOM 1718 C ASP A 114 4.630 -4.935 3.624 1.00 0.00 C ATOM 1719 O ASP A 114 3.573 -5.338 4.135 1.00 0.00 O ATOM 1720 CB ASP A 114 5.445 -2.539 3.527 1.00 0.00 C ATOM 1721 CG ASP A 114 5.752 -1.290 4.356 1.00 0.00 C ATOM 1722 OD1 ASP A 114 6.761 -1.271 5.094 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.992 -0.311 4.263 1.00 0.00 O ATOM 0 H ASP A 114 7.575 -3.696 4.056 1.00 0.00 H new ATOM 0 HA ASP A 114 5.089 -3.705 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.158 -2.600 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.455 -2.432 3.083 1.00 0.00 H new ATOM 1728 N LEU A 115 5.135 -5.421 2.471 1.00 0.00 N ATOM 1729 CA LEU A 115 4.377 -6.311 1.580 1.00 0.00 C ATOM 1730 C LEU A 115 4.112 -7.659 2.279 1.00 0.00 C ATOM 1731 O LEU A 115 2.982 -8.131 2.344 1.00 0.00 O ATOM 1732 CB LEU A 115 5.148 -6.561 0.255 1.00 0.00 C ATOM 1733 CG LEU A 115 5.743 -5.317 -0.485 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.345 -5.711 -1.843 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.711 -4.197 -0.660 1.00 0.00 C ATOM 0 H LEU A 115 6.075 -5.207 2.137 1.00 0.00 H new ATOM 0 HA LEU A 115 3.429 -5.826 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.967 -7.248 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.475 -7.071 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 115 6.541 -4.930 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.750 -4.825 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.143 -6.438 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.570 -6.150 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.171 -3.356 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.869 -4.567 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.358 -3.871 0.319 1.00 0.00 H new ATOM 1747 N GLN A 116 5.189 -8.224 2.849 1.00 0.00 N ATOM 1748 CA GLN A 116 5.179 -9.551 3.491 1.00 0.00 C ATOM 1749 C GLN A 116 4.410 -9.543 4.828 1.00 0.00 C ATOM 1750 O GLN A 116 3.881 -10.575 5.250 1.00 0.00 O ATOM 1751 CB GLN A 116 6.635 -10.044 3.682 1.00 0.00 C ATOM 1752 CG GLN A 116 7.460 -10.100 2.367 1.00 0.00 C ATOM 1753 CD GLN A 116 8.370 -11.329 2.261 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.858 -11.851 3.259 1.00 0.00 O ATOM 1755 NE2 GLN A 116 8.599 -11.804 1.056 1.00 0.00 N ATOM 0 H GLN A 116 6.101 -7.768 2.878 1.00 0.00 H new ATOM 0 HA GLN A 116 4.650 -10.244 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.141 -9.386 4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.616 -11.038 4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.776 -10.092 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.070 -9.200 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.182 -11.352 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 116 9.194 -12.624 0.936 1.00 0.00 H new ATOM 1764 N ALA A 117 4.360 -8.372 5.483 1.00 0.00 N ATOM 1765 CA ALA A 117 3.542 -8.168 6.704 1.00 0.00 C ATOM 1766 C ALA A 117 2.026 -8.383 6.442 1.00 0.00 C ATOM 1767 O ALA A 117 1.301 -8.880 7.310 1.00 0.00 O ATOM 1768 CB ALA A 117 3.775 -6.761 7.274 1.00 0.00 C ATOM 0 H ALA A 117 4.878 -7.543 5.190 1.00 0.00 H new ATOM 0 HA ALA A 117 3.861 -8.916 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.168 -6.626 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.828 -6.641 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.494 -6.016 6.530 1.00 0.00 H new ATOM 1774 N HIS A 118 1.553 -7.984 5.236 1.00 0.00 N ATOM 1775 CA HIS A 118 0.111 -8.050 4.858 1.00 0.00 C ATOM 1776 C HIS A 118 -0.112 -8.816 3.529 1.00 0.00 C ATOM 1777 O HIS A 118 -1.110 -8.588 2.830 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.483 -6.616 4.809 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.553 -5.972 6.166 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.654 -6.073 6.985 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.376 -5.293 6.877 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.401 -5.492 8.136 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -0.177 -5.014 8.100 1.00 0.00 N ATOM 0 H HIS A 118 2.151 -7.609 4.500 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.418 -8.619 5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.125 -5.998 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.483 -6.656 4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.367 -5.022 6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.083 -5.419 8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.287 -4.516 8.860 1.00 0.00 H new ATOM 1792 N ALA A 119 0.808 -9.753 3.232 1.00 0.00 N ATOM 1793 CA ALA A 119 0.692 -10.705 2.100 1.00 0.00 C ATOM 1794 C ALA A 119 1.720 -11.851 2.244 1.00 0.00 C ATOM 1795 O ALA A 119 2.583 -11.816 3.119 1.00 0.00 O ATOM 1796 CB ALA A 119 0.875 -9.983 0.755 1.00 0.00 C ATOM 0 H ALA A 119 1.663 -9.875 3.774 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.309 -11.135 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.786 -10.702 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.109 -9.215 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.861 -9.519 0.722 1.00 0.00 H new ATOM 1802 N LEU A 120 1.616 -12.868 1.375 1.00 0.00 N ATOM 1803 CA LEU A 120 2.541 -14.029 1.372 1.00 0.00 C ATOM 1804 C LEU A 120 3.323 -14.098 0.033 1.00 0.00 C ATOM 1805 O LEU A 120 2.765 -13.758 -1.022 1.00 0.00 O ATOM 1806 CB LEU A 120 1.729 -15.333 1.664 1.00 0.00 C ATOM 1807 CG LEU A 120 0.490 -15.648 0.736 1.00 0.00 C ATOM 1808 CD1 LEU A 120 0.884 -16.396 -0.565 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.608 -16.415 1.507 1.00 0.00 C ATOM 0 H LEU A 120 0.895 -12.916 0.655 1.00 0.00 H new ATOM 0 HA LEU A 120 3.287 -13.917 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.416 -16.177 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.374 -15.284 2.693 1.00 0.00 H new ATOM 0 HG LEU A 120 0.084 -14.684 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.009 -16.584 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.581 -15.785 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.357 -17.344 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.447 -16.617 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.203 -17.357 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.950 -15.813 2.349 1.00 0.00 H new ATOM 1821 N PRO A 121 4.640 -14.496 0.051 1.00 0.00 N ATOM 1822 CA PRO A 121 5.441 -14.649 -1.193 1.00 0.00 C ATOM 1823 C PRO A 121 4.913 -15.813 -2.081 1.00 0.00 C ATOM 1824 O PRO A 121 4.701 -16.933 -1.596 1.00 0.00 O ATOM 1825 CB PRO A 121 6.880 -14.907 -0.665 1.00 0.00 C ATOM 1826 CG PRO A 121 6.681 -15.492 0.707 1.00 0.00 C ATOM 1827 CD PRO A 121 5.445 -14.812 1.266 1.00 0.00 C ATOM 0 HA PRO A 121 5.389 -13.777 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 121 7.423 -15.594 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.458 -13.984 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.545 -16.572 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.549 -15.309 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 121 4.902 -15.466 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.700 -13.911 1.823 1.00 0.00 H new ATOM 1835 N VAL A 122 4.697 -15.532 -3.382 1.00 0.00 N ATOM 1836 CA VAL A 122 4.057 -16.482 -4.328 1.00 0.00 C ATOM 1837 C VAL A 122 5.100 -17.469 -4.957 1.00 0.00 C ATOM 1838 O VAL A 122 5.229 -17.640 -6.175 1.00 0.00 O ATOM 1839 CB VAL A 122 3.207 -15.677 -5.393 1.00 0.00 C ATOM 1840 CG1 VAL A 122 4.080 -14.717 -6.253 1.00 0.00 C ATOM 1841 CG2 VAL A 122 2.325 -16.616 -6.265 1.00 0.00 C ATOM 0 H VAL A 122 4.959 -14.644 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 122 3.364 -17.125 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 122 2.526 -15.041 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.447 -14.190 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.574 -13.994 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.832 -15.293 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.759 -16.021 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.962 -17.320 -6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.635 -17.166 -5.625 1.00 0.00 H new ATOM 1851 N LEU A 123 5.850 -18.137 -4.067 1.00 0.00 N ATOM 1852 CA LEU A 123 6.800 -19.205 -4.426 1.00 0.00 C ATOM 1853 C LEU A 123 6.063 -20.568 -4.398 1.00 0.00 C ATOM 1854 O LEU A 123 6.085 -21.293 -3.396 1.00 0.00 O ATOM 1855 CB LEU A 123 8.022 -19.182 -3.464 1.00 0.00 C ATOM 1856 CG LEU A 123 9.129 -18.109 -3.762 1.00 0.00 C ATOM 1857 CD1 LEU A 123 8.593 -16.656 -3.711 1.00 0.00 C ATOM 1858 CD2 LEU A 123 10.336 -18.298 -2.816 1.00 0.00 C ATOM 0 H LEU A 123 5.814 -17.949 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 123 7.183 -19.045 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.655 -19.021 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.488 -20.167 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 123 9.460 -18.271 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.405 -15.961 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.804 -16.533 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.192 -16.451 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.093 -17.546 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.008 -18.190 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.759 -19.292 -2.960 1.00 0.00 H new ATOM 1870 N GLU A 124 5.367 -20.875 -5.503 1.00 0.00 N ATOM 1871 CA GLU A 124 4.502 -22.077 -5.629 1.00 0.00 C ATOM 1872 C GLU A 124 5.035 -23.069 -6.703 1.00 0.00 C ATOM 1873 O GLU A 124 4.255 -23.764 -7.359 1.00 0.00 O ATOM 1874 CB GLU A 124 3.026 -21.614 -5.920 1.00 0.00 C ATOM 1875 CG GLU A 124 2.864 -20.401 -6.885 1.00 0.00 C ATOM 1876 CD GLU A 124 3.439 -20.626 -8.297 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.764 -21.277 -9.124 1.00 0.00 O ATOM 1878 OE2 GLU A 124 4.573 -20.168 -8.581 1.00 0.00 O ATOM 0 H GLU A 124 5.383 -20.298 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 124 4.518 -22.630 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.478 -22.459 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.552 -21.363 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.804 -20.161 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.352 -19.533 -6.442 1.00 0.00 H new ATOM 1885 N HIS A 125 6.375 -23.165 -6.828 1.00 0.00 N ATOM 1886 CA HIS A 125 7.047 -24.018 -7.842 1.00 0.00 C ATOM 1887 C HIS A 125 8.178 -24.879 -7.200 1.00 0.00 C ATOM 1888 O HIS A 125 9.336 -24.458 -7.096 1.00 0.00 O ATOM 1889 CB HIS A 125 7.565 -23.144 -9.030 1.00 0.00 C ATOM 1890 CG HIS A 125 8.358 -21.930 -8.619 1.00 0.00 C ATOM 1891 ND1 HIS A 125 9.705 -21.966 -8.348 1.00 0.00 N ATOM 1892 CD2 HIS A 125 7.985 -20.636 -8.438 1.00 0.00 C ATOM 1893 CE1 HIS A 125 10.122 -20.766 -8.022 1.00 0.00 C ATOM 1894 NE2 HIS A 125 9.104 -19.936 -8.064 1.00 0.00 N ATOM 0 H HIS A 125 7.026 -22.655 -6.231 1.00 0.00 H new ATOM 0 HA HIS A 125 6.317 -24.720 -8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 125 8.185 -23.765 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.711 -22.819 -9.624 1.00 0.00 H new ATOM 0 HD1 HIS A 125 10.291 -22.799 -8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.991 -20.233 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 125 11.137 -20.503 -7.762 1.00 0.00 H new ATOM 1903 N HIS A 126 7.803 -26.092 -6.749 1.00 0.00 N ATOM 1904 CA HIS A 126 8.720 -27.055 -6.083 1.00 0.00 C ATOM 1905 C HIS A 126 9.354 -28.031 -7.145 1.00 0.00 C ATOM 1906 O HIS A 126 9.137 -27.855 -8.350 1.00 0.00 O ATOM 1907 CB HIS A 126 7.911 -27.810 -4.979 1.00 0.00 C ATOM 1908 CG HIS A 126 8.744 -28.548 -3.957 1.00 0.00 C ATOM 1909 ND1 HIS A 126 8.727 -29.923 -3.810 1.00 0.00 N ATOM 1910 CD2 HIS A 126 9.624 -28.088 -3.028 1.00 0.00 C ATOM 1911 CE1 HIS A 126 9.554 -30.272 -2.843 1.00 0.00 C ATOM 1912 NE2 HIS A 126 10.108 -29.184 -2.355 1.00 0.00 N ATOM 0 H HIS A 126 6.848 -26.440 -6.835 1.00 0.00 H new ATOM 0 HA HIS A 126 9.554 -26.537 -5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 126 7.281 -27.090 -4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 126 7.245 -28.524 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 126 9.892 -27.057 -2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 126 9.744 -31.281 -2.509 1.00 0.00 H new ATOM 0 HE2 HIS A 126 10.790 -29.158 -1.597 1.00 0.00 H new ATOM 1921 N HIS A 127 10.156 -29.032 -6.684 1.00 0.00 N ATOM 1922 CA HIS A 127 10.878 -30.013 -7.552 1.00 0.00 C ATOM 1923 C HIS A 127 11.983 -29.336 -8.409 1.00 0.00 C ATOM 1924 O HIS A 127 12.180 -29.667 -9.586 1.00 0.00 O ATOM 1925 CB HIS A 127 9.900 -30.863 -8.424 1.00 0.00 C ATOM 1926 CG HIS A 127 9.131 -31.901 -7.655 1.00 0.00 C ATOM 1927 ND1 HIS A 127 7.761 -32.008 -7.684 1.00 0.00 N ATOM 1928 CD2 HIS A 127 9.561 -32.905 -6.855 1.00 0.00 C ATOM 1929 CE1 HIS A 127 7.381 -33.027 -6.945 1.00 0.00 C ATOM 1930 NE2 HIS A 127 8.451 -33.586 -6.431 1.00 0.00 N ATOM 0 H HIS A 127 10.322 -29.184 -5.689 1.00 0.00 H new ATOM 0 HA HIS A 127 11.382 -30.707 -6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.194 -30.193 -8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.469 -31.358 -9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 127 10.587 -33.127 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.362 -33.349 -6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 127 8.455 -34.398 -5.814 1.00 0.00 H new ATOM 1939 N HIS A 128 12.726 -28.410 -7.780 1.00 0.00 N ATOM 1940 CA HIS A 128 13.912 -27.757 -8.384 1.00 0.00 C ATOM 1941 C HIS A 128 15.098 -27.773 -7.392 1.00 0.00 C ATOM 1942 O HIS A 128 15.177 -26.930 -6.491 1.00 0.00 O ATOM 1943 CB HIS A 128 13.590 -26.300 -8.848 1.00 0.00 C ATOM 1944 CG HIS A 128 12.962 -26.218 -10.213 1.00 0.00 C ATOM 1945 ND1 HIS A 128 13.704 -25.990 -11.351 1.00 0.00 N ATOM 1946 CD2 HIS A 128 11.678 -26.338 -10.627 1.00 0.00 C ATOM 1947 CE1 HIS A 128 12.915 -25.973 -12.398 1.00 0.00 C ATOM 1948 NE2 HIS A 128 11.681 -26.184 -11.994 1.00 0.00 N ATOM 0 H HIS A 128 12.524 -28.088 -6.833 1.00 0.00 H new ATOM 0 HA HIS A 128 14.194 -28.325 -9.271 1.00 0.00 H new ATOM 0 HB2 HIS A 128 12.920 -25.838 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 128 14.511 -25.717 -8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.816 -26.520 -10.003 1.00 0.00 H new ATOM 0 HE1 HIS A 128 13.226 -25.813 -13.420 1.00 0.00 H new ATOM 0 HE2 HIS A 128 10.859 -26.227 -12.597 1.00 0.00 H new ATOM 1957 N HIS A 129 15.990 -28.774 -7.545 1.00 0.00 N ATOM 1958 CA HIS A 129 17.280 -28.824 -6.823 1.00 0.00 C ATOM 1959 C HIS A 129 18.277 -27.844 -7.493 1.00 0.00 C ATOM 1960 O HIS A 129 18.958 -28.194 -8.452 1.00 0.00 O ATOM 1961 CB HIS A 129 17.829 -30.290 -6.745 1.00 0.00 C ATOM 1962 CG HIS A 129 17.866 -31.057 -8.052 1.00 0.00 C ATOM 1963 ND1 HIS A 129 16.810 -31.824 -8.502 1.00 0.00 N ATOM 1964 CD2 HIS A 129 18.836 -31.191 -8.996 1.00 0.00 C ATOM 1965 CE1 HIS A 129 17.127 -32.386 -9.650 1.00 0.00 C ATOM 1966 NE2 HIS A 129 18.346 -32.022 -9.975 1.00 0.00 N ATOM 0 H HIS A 129 15.838 -29.567 -8.169 1.00 0.00 H new ATOM 0 HA HIS A 129 17.136 -28.505 -5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 129 18.839 -30.257 -6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 129 17.217 -30.848 -6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 129 19.812 -30.729 -8.979 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.490 -33.038 -10.228 1.00 0.00 H new ATOM 0 HE2 HIS A 129 18.847 -32.309 -10.816 1.00 0.00 H new ATOM 1975 N HIS A 130 18.282 -26.588 -6.991 1.00 0.00 N ATOM 1976 CA HIS A 130 19.017 -25.443 -7.599 1.00 0.00 C ATOM 1977 C HIS A 130 18.467 -25.124 -9.033 1.00 0.00 C ATOM 1978 O HIS A 130 17.393 -24.493 -9.136 1.00 0.00 O ATOM 1979 CB HIS A 130 20.563 -25.681 -7.600 1.00 0.00 C ATOM 1980 CG HIS A 130 21.140 -25.926 -6.232 1.00 0.00 C ATOM 1981 ND1 HIS A 130 21.381 -27.191 -5.736 1.00 0.00 N ATOM 1982 CD2 HIS A 130 21.522 -25.068 -5.257 1.00 0.00 C ATOM 1983 CE1 HIS A 130 21.883 -27.100 -4.525 1.00 0.00 C ATOM 1984 NE2 HIS A 130 21.980 -25.828 -4.211 1.00 0.00 N ATOM 1985 OXT HIS A 130 19.080 -25.546 -10.046 1.00 0.00 O ATOM 0 H HIS A 130 17.773 -26.333 -6.145 1.00 0.00 H new ATOM 0 HA HIS A 130 18.840 -24.565 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 130 20.789 -26.535 -8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 130 21.055 -24.814 -8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 130 21.475 -23.990 -5.295 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.167 -27.930 -3.895 1.00 0.00 H new ATOM 0 HE2 HIS A 130 22.339 -25.463 -3.329 1.00 0.00 H new TER 1994 HIS A 130