USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 750 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 29 TYR OH : rot 34:sc= 0.406 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -3.42! C(o=-3!,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 3 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.1!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot -170:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -2.25! (180deg=-2.91!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.427 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.85 K(o=-1.8,f=-2.8) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -149:sc= -2.51! USER MOD Single : A 42 MET CE :methyl 150:sc= -0.101 (180deg=-0.53) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.95! K(o=-3!,f=-2.3) USER MOD Single : A 49 GLN : amide:sc= -0.0449 K(o=-0.045,f=-3.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.364 K(o=0.36,f=-0.42) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0723 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 140:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 79 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.08) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -120:sc= -0.321 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -56:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 4.781 10.686 -33.531 1.00 0.00 N ATOM 2 CA GLY A -6 3.641 10.270 -32.736 1.00 0.00 C ATOM 3 C GLY A -6 2.334 10.377 -33.497 1.00 0.00 C ATOM 4 O GLY A -6 2.125 9.676 -34.488 1.00 0.00 O ATOM 0 H1 GLY A -6 5.650 10.594 -32.967 1.00 0.00 H new ATOM 0 H2 GLY A -6 4.852 10.085 -34.377 1.00 0.00 H new ATOM 0 H3 GLY A -6 4.659 11.677 -33.820 1.00 0.00 H new ATOM 0 HA2 GLY A -6 3.785 9.240 -32.411 1.00 0.00 H new ATOM 0 HA3 GLY A -6 3.586 10.883 -31.837 1.00 0.00 H new ATOM 8 N SER A -5 1.450 11.254 -33.032 1.00 0.00 N ATOM 9 CA SER A -5 0.155 11.447 -33.673 1.00 0.00 C ATOM 10 C SER A -5 -0.650 10.150 -33.670 1.00 0.00 C ATOM 11 O SER A -5 -1.284 9.799 -34.665 1.00 0.00 O ATOM 12 CB SER A -5 0.340 11.943 -35.108 1.00 0.00 C ATOM 13 OG SER A -5 -0.794 12.670 -35.547 1.00 0.00 O ATOM 0 H SER A -5 1.607 11.842 -32.214 1.00 0.00 H new ATOM 0 HA SER A -5 -0.395 12.198 -33.106 1.00 0.00 H new ATOM 0 HB2 SER A -5 1.226 12.575 -35.166 1.00 0.00 H new ATOM 0 HB3 SER A -5 0.510 11.094 -35.770 1.00 0.00 H new ATOM 0 HG SER A -5 -0.650 12.977 -36.466 1.00 0.00 H new ATOM 19 N SER A -4 -0.619 9.444 -32.545 1.00 0.00 N ATOM 20 CA SER A -4 -1.342 8.185 -32.413 1.00 0.00 C ATOM 21 C SER A -4 -2.644 8.383 -31.642 1.00 0.00 C ATOM 22 O SER A -4 -3.701 7.907 -32.053 1.00 0.00 O ATOM 23 CB SER A -4 -0.471 7.144 -31.706 1.00 0.00 C ATOM 24 OG SER A -4 -0.931 5.830 -31.970 1.00 0.00 O ATOM 0 H SER A -4 -0.101 9.722 -31.712 1.00 0.00 H new ATOM 0 HA SER A -4 -1.584 7.827 -33.414 1.00 0.00 H new ATOM 0 HB2 SER A -4 0.562 7.244 -32.038 1.00 0.00 H new ATOM 0 HB3 SER A -4 -0.480 7.327 -30.631 1.00 0.00 H new ATOM 0 HG SER A -4 -0.357 5.184 -31.509 1.00 0.00 H new ATOM 30 N GLY A -3 -2.557 9.092 -30.520 1.00 0.00 N ATOM 31 CA GLY A -3 -3.734 9.342 -29.708 1.00 0.00 C ATOM 32 C GLY A -3 -4.132 10.805 -29.699 1.00 0.00 C ATOM 33 O GLY A -3 -3.279 11.688 -29.788 1.00 0.00 O ATOM 0 H GLY A -3 -1.693 9.497 -30.159 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -4.565 8.745 -30.084 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -3.543 9.014 -28.686 1.00 0.00 H new ATOM 37 N SER A -2 -5.431 11.062 -29.592 1.00 0.00 N ATOM 38 CA SER A -2 -5.941 12.428 -29.577 1.00 0.00 C ATOM 39 C SER A -2 -6.617 12.742 -28.246 1.00 0.00 C ATOM 40 O SER A -2 -7.575 12.077 -27.852 1.00 0.00 O ATOM 41 CB SER A -2 -6.930 12.639 -30.726 1.00 0.00 C ATOM 42 OG SER A -2 -6.369 12.231 -31.962 1.00 0.00 O ATOM 0 H SER A -2 -6.150 10.342 -29.514 1.00 0.00 H new ATOM 0 HA SER A -2 -5.097 13.105 -29.704 1.00 0.00 H new ATOM 0 HB2 SER A -2 -7.842 12.075 -30.533 1.00 0.00 H new ATOM 0 HB3 SER A -2 -7.211 13.691 -30.780 1.00 0.00 H new ATOM 0 HG SER A -2 -7.020 12.374 -32.680 1.00 0.00 H new ATOM 48 N SER A -1 -6.110 13.759 -27.557 1.00 0.00 N ATOM 49 CA SER A -1 -6.661 14.160 -26.268 1.00 0.00 C ATOM 50 C SER A -1 -6.072 15.492 -25.815 1.00 0.00 C ATOM 51 O SER A -1 -5.157 16.024 -26.443 1.00 0.00 O ATOM 52 CB SER A -1 -6.386 13.084 -25.216 1.00 0.00 C ATOM 53 OG SER A -1 -5.014 12.729 -25.196 1.00 0.00 O ATOM 0 H SER A -1 -5.318 14.321 -27.870 1.00 0.00 H new ATOM 0 HA SER A -1 -7.738 14.280 -26.383 1.00 0.00 H new ATOM 0 HB2 SER A -1 -6.685 13.447 -24.233 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.990 12.202 -25.427 1.00 0.00 H new ATOM 0 HG SER A -1 -4.889 11.936 -24.634 1.00 0.00 H new ATOM 59 N GLY A 0 -6.604 16.026 -24.720 1.00 0.00 N ATOM 60 CA GLY A 0 -6.119 17.292 -24.201 1.00 0.00 C ATOM 61 C GLY A 0 -5.003 17.115 -23.191 1.00 0.00 C ATOM 62 O GLY A 0 -5.257 16.905 -22.005 1.00 0.00 O ATOM 0 H GLY A 0 -7.362 15.605 -24.183 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -5.763 17.907 -25.027 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -6.944 17.830 -23.735 1.00 0.00 H new ATOM 66 N MET A 1 -3.763 17.198 -23.661 1.00 0.00 N ATOM 67 CA MET A 1 -2.603 17.045 -22.790 1.00 0.00 C ATOM 68 C MET A 1 -2.622 15.689 -22.093 1.00 0.00 C ATOM 69 O MET A 1 -2.311 15.585 -20.907 1.00 0.00 O ATOM 70 CB MET A 1 -2.569 18.166 -21.749 1.00 0.00 C ATOM 71 CG MET A 1 -2.097 19.499 -22.306 1.00 0.00 C ATOM 72 SD MET A 1 -0.449 19.404 -23.031 1.00 0.00 S ATOM 73 CE MET A 1 0.357 20.785 -22.223 1.00 0.00 C ATOM 0 H MET A 1 -3.535 17.370 -24.640 1.00 0.00 H new ATOM 0 HA MET A 1 -1.706 17.104 -23.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.567 18.290 -21.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.913 17.871 -20.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.803 19.843 -23.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.097 20.242 -21.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.388 20.858 -22.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.172 21.707 -22.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.346 20.632 -21.144 1.00 0.00 H new ATOM 83 N ASN A 2 -2.990 14.651 -22.838 1.00 0.00 N ATOM 84 CA ASN A 2 -3.050 13.301 -22.290 1.00 0.00 C ATOM 85 C ASN A 2 -3.746 13.295 -20.932 1.00 0.00 C ATOM 86 O ASN A 2 -3.307 12.620 -20.002 1.00 0.00 O ATOM 87 CB ASN A 2 -1.641 12.719 -22.156 1.00 0.00 C ATOM 88 CG ASN A 2 -0.797 12.960 -23.393 1.00 0.00 C ATOM 89 OD1 ASN A 2 -0.132 13.989 -23.513 1.00 0.00 O ATOM 90 ND2 ASN A 2 -0.819 12.009 -24.319 1.00 0.00 N ATOM 0 H ASN A 2 -3.251 14.719 -23.822 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.628 12.683 -22.977 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.148 13.163 -21.291 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.710 11.647 -21.969 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.270 12.115 -25.172 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.385 11.172 -24.177 1.00 0.00 H new ATOM 97 N ASN A 3 -4.834 14.051 -20.828 1.00 0.00 N ATOM 98 CA ASN A 3 -5.591 14.133 -19.584 1.00 0.00 C ATOM 99 C ASN A 3 -4.689 14.546 -18.425 1.00 0.00 C ATOM 100 O ASN A 3 -4.778 13.993 -17.328 1.00 0.00 O ATOM 101 CB ASN A 3 -6.253 12.788 -19.276 1.00 0.00 C ATOM 102 CG ASN A 3 -7.519 12.942 -18.456 1.00 0.00 C ATOM 103 OD1 ASN A 3 -8.041 14.046 -18.299 1.00 0.00 O ATOM 104 ND2 ASN A 3 -8.020 11.831 -17.928 1.00 0.00 N ATOM 0 H ASN A 3 -5.211 14.615 -21.589 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.364 14.891 -19.707 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.488 12.279 -20.211 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.549 12.154 -18.737 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.871 11.872 -17.367 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.554 10.937 -18.084 1.00 0.00 H new ATOM 111 N SER A 4 -3.823 15.522 -18.675 1.00 0.00 N ATOM 112 CA SER A 4 -2.902 16.008 -17.654 1.00 0.00 C ATOM 113 C SER A 4 -3.578 16.045 -16.286 1.00 0.00 C ATOM 114 O SER A 4 -4.519 16.806 -16.067 1.00 0.00 O ATOM 115 CB SER A 4 -2.391 17.403 -18.020 1.00 0.00 C ATOM 116 OG SER A 4 -1.737 18.011 -16.919 1.00 0.00 O ATOM 0 H SER A 4 -3.739 15.992 -19.576 1.00 0.00 H new ATOM 0 HA SER A 4 -2.058 15.321 -17.605 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.703 17.332 -18.862 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.225 18.027 -18.341 1.00 0.00 H new ATOM 0 HG SER A 4 -1.418 18.901 -17.178 1.00 0.00 H new ATOM 122 N GLY A 5 -3.091 15.214 -15.370 1.00 0.00 N ATOM 123 CA GLY A 5 -3.659 15.166 -14.035 1.00 0.00 C ATOM 124 C GLY A 5 -2.608 15.305 -12.952 1.00 0.00 C ATOM 125 O GLY A 5 -1.923 14.339 -12.615 1.00 0.00 O ATOM 0 H GLY A 5 -2.313 14.573 -15.528 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.394 15.963 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.190 14.223 -13.903 1.00 0.00 H new ATOM 129 N ALA A 6 -2.478 16.509 -12.406 1.00 0.00 N ATOM 130 CA ALA A 6 -1.503 16.771 -11.355 1.00 0.00 C ATOM 131 C ALA A 6 -2.087 16.472 -9.978 1.00 0.00 C ATOM 132 O ALA A 6 -1.858 17.213 -9.022 1.00 0.00 O ATOM 133 CB ALA A 6 -1.025 18.214 -11.426 1.00 0.00 C ATOM 0 H ALA A 6 -3.036 17.319 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.651 16.110 -11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.297 18.396 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.561 18.396 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.874 18.885 -11.299 1.00 0.00 H new ATOM 139 N ASP A 7 -2.841 15.383 -9.884 1.00 0.00 N ATOM 140 CA ASP A 7 -3.458 14.986 -8.624 1.00 0.00 C ATOM 141 C ASP A 7 -2.889 13.658 -8.135 1.00 0.00 C ATOM 142 O ASP A 7 -2.498 13.528 -6.976 1.00 0.00 O ATOM 143 CB ASP A 7 -4.975 14.876 -8.785 1.00 0.00 C ATOM 144 CG ASP A 7 -5.675 14.557 -7.479 1.00 0.00 C ATOM 145 OD1 ASP A 7 -5.094 14.840 -6.411 1.00 0.00 O ATOM 146 OD2 ASP A 7 -6.802 14.022 -7.525 1.00 0.00 O ATOM 0 H ASP A 7 -3.040 14.759 -10.666 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.234 15.753 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.364 15.813 -9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.204 14.100 -9.516 1.00 0.00 H new ATOM 151 N GLU A 8 -2.847 12.673 -9.028 1.00 0.00 N ATOM 152 CA GLU A 8 -2.327 11.354 -8.686 1.00 0.00 C ATOM 153 C GLU A 8 -0.819 11.405 -8.462 1.00 0.00 C ATOM 154 O GLU A 8 -0.205 10.412 -8.072 1.00 0.00 O ATOM 155 CB GLU A 8 -2.656 10.350 -9.792 1.00 0.00 C ATOM 156 CG GLU A 8 -4.138 10.263 -10.115 1.00 0.00 C ATOM 157 CD GLU A 8 -4.864 9.246 -9.257 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.640 8.034 -9.455 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.657 9.662 -8.387 1.00 0.00 O ATOM 0 H GLU A 8 -3.167 12.764 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.803 11.033 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.112 10.626 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.299 9.364 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.595 11.243 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.262 10.001 -11.166 1.00 0.00 H new ATOM 166 N ILE A 9 -0.228 12.569 -8.711 1.00 0.00 N ATOM 167 CA ILE A 9 1.207 12.750 -8.536 1.00 0.00 C ATOM 168 C ILE A 9 1.682 12.139 -7.223 1.00 0.00 C ATOM 169 O ILE A 9 2.562 11.279 -7.208 1.00 0.00 O ATOM 170 CB ILE A 9 1.595 14.240 -8.566 1.00 0.00 C ATOM 171 CG1 ILE A 9 1.162 14.876 -9.889 1.00 0.00 C ATOM 172 CG2 ILE A 9 3.093 14.402 -8.360 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.325 16.380 -9.918 1.00 0.00 C ATOM 0 H ILE A 9 -0.722 13.401 -9.035 1.00 0.00 H new ATOM 0 HA ILE A 9 1.693 12.240 -9.368 1.00 0.00 H new ATOM 0 HB ILE A 9 1.079 14.751 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.745 14.440 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.117 14.628 -10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.351 15.461 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.375 13.981 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.628 13.880 -9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.999 16.763 -10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.721 16.827 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.373 16.635 -9.761 1.00 0.00 H new ATOM 185 N GLY A 10 1.092 12.589 -6.119 1.00 0.00 N ATOM 186 CA GLY A 10 1.467 12.074 -4.815 1.00 0.00 C ATOM 187 C GLY A 10 0.770 10.770 -4.484 1.00 0.00 C ATOM 188 O GLY A 10 0.489 10.484 -3.320 1.00 0.00 O ATOM 0 H GLY A 10 0.361 13.301 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.546 11.924 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.226 12.815 -4.052 1.00 0.00 H new ATOM 192 N LYS A 11 0.487 9.975 -5.511 1.00 0.00 N ATOM 193 CA LYS A 11 -0.183 8.693 -5.326 1.00 0.00 C ATOM 194 C LYS A 11 0.723 7.540 -5.746 1.00 0.00 C ATOM 195 O LYS A 11 1.602 7.705 -6.592 1.00 0.00 O ATOM 196 CB LYS A 11 -1.484 8.653 -6.130 1.00 0.00 C ATOM 197 CG LYS A 11 -2.317 7.408 -5.878 1.00 0.00 C ATOM 198 CD LYS A 11 -3.556 7.379 -6.757 1.00 0.00 C ATOM 199 CE LYS A 11 -4.716 8.120 -6.109 1.00 0.00 C ATOM 200 NZ LYS A 11 -4.374 9.541 -5.821 1.00 0.00 N ATOM 0 H LYS A 11 0.712 10.197 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.415 8.582 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.079 9.533 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.247 8.712 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.714 6.521 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.613 7.373 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.329 7.830 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.844 6.345 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.584 8.081 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.995 7.619 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.243 10.070 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.731 9.585 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.909 9.961 -6.651 1.00 0.00 H new ATOM 214 N LEU A 12 0.502 6.373 -5.151 1.00 0.00 N ATOM 215 CA LEU A 12 1.298 5.191 -5.465 1.00 0.00 C ATOM 216 C LEU A 12 0.406 3.968 -5.652 1.00 0.00 C ATOM 217 O LEU A 12 -0.143 3.434 -4.688 1.00 0.00 O ATOM 218 CB LEU A 12 2.317 4.929 -4.355 1.00 0.00 C ATOM 219 CG LEU A 12 3.511 4.051 -4.734 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.321 4.702 -5.844 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.386 3.788 -3.517 1.00 0.00 C ATOM 0 H LEU A 12 -0.222 6.220 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 12 1.828 5.377 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.695 5.889 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.800 4.462 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 12 3.134 3.096 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.166 4.063 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.690 4.839 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.688 5.671 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.231 3.162 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.754 4.735 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.801 3.279 -2.751 1.00 0.00 H new ATOM 233 N PHE A 13 0.267 3.528 -6.898 1.00 0.00 N ATOM 234 CA PHE A 13 -0.557 2.366 -7.211 1.00 0.00 C ATOM 235 C PHE A 13 0.241 1.075 -7.056 1.00 0.00 C ATOM 236 O PHE A 13 1.146 0.793 -7.843 1.00 0.00 O ATOM 237 CB PHE A 13 -1.105 2.473 -8.636 1.00 0.00 C ATOM 238 CG PHE A 13 -1.322 1.141 -9.296 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.925 0.102 -8.607 1.00 0.00 C ATOM 240 CD2 PHE A 13 -0.921 0.929 -10.605 1.00 0.00 C ATOM 241 CE1 PHE A 13 -2.127 -1.125 -9.211 1.00 0.00 C ATOM 242 CE2 PHE A 13 -1.120 -0.296 -11.215 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.723 -1.324 -10.517 1.00 0.00 C ATOM 0 H PHE A 13 0.714 3.958 -7.707 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.390 2.343 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.049 3.017 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.413 3.060 -9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.241 0.252 -7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.448 1.729 -11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.600 -1.927 -8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.804 -0.449 -12.236 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.878 -2.282 -10.991 1.00 0.00 H new ATOM 253 N VAL A 14 -0.099 0.295 -6.036 1.00 0.00 N ATOM 254 CA VAL A 14 0.584 -0.967 -5.777 1.00 0.00 C ATOM 255 C VAL A 14 -0.009 -2.095 -6.614 1.00 0.00 C ATOM 256 O VAL A 14 -1.221 -2.303 -6.624 1.00 0.00 O ATOM 257 CB VAL A 14 0.507 -1.352 -4.288 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.375 -2.568 -4.004 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.917 -0.177 -3.412 1.00 0.00 C ATOM 0 H VAL A 14 -0.844 0.515 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 14 1.629 -0.824 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.525 -1.610 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.307 -2.824 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.030 -3.410 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.411 -2.343 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.857 -0.467 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.940 0.115 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.248 0.664 -3.595 1.00 0.00 H new ATOM 269 N GLY A 15 0.856 -2.822 -7.315 1.00 0.00 N ATOM 270 CA GLY A 15 0.399 -3.921 -8.145 1.00 0.00 C ATOM 271 C GLY A 15 1.058 -5.237 -7.780 1.00 0.00 C ATOM 272 O GLY A 15 2.143 -5.552 -8.268 1.00 0.00 O ATOM 0 H GLY A 15 1.864 -2.669 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.682 -4.020 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.605 -3.693 -9.191 1.00 0.00 H new ATOM 276 N GLY A 16 0.402 -6.007 -6.917 1.00 0.00 N ATOM 277 CA GLY A 16 0.947 -7.285 -6.501 1.00 0.00 C ATOM 278 C GLY A 16 0.802 -7.519 -5.010 1.00 0.00 C ATOM 279 O GLY A 16 1.675 -8.116 -4.379 1.00 0.00 O ATOM 0 H GLY A 16 -0.497 -5.768 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.442 -8.085 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.002 -7.333 -6.772 1.00 0.00 H new ATOM 283 N LEU A 17 -0.304 -7.048 -4.444 1.00 0.00 N ATOM 284 CA LEU A 17 -0.561 -7.208 -3.017 1.00 0.00 C ATOM 285 C LEU A 17 -0.944 -8.647 -2.690 1.00 0.00 C ATOM 286 O LEU A 17 -1.146 -9.465 -3.588 1.00 0.00 O ATOM 287 CB LEU A 17 -1.673 -6.257 -2.569 1.00 0.00 C ATOM 288 CG LEU A 17 -1.314 -4.771 -2.539 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.565 -3.924 -2.370 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.319 -4.485 -1.424 1.00 0.00 C ATOM 0 H LEU A 17 -1.037 -6.552 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 17 0.355 -6.965 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.527 -6.391 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.996 -6.552 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.849 -4.510 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.290 -2.869 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.244 -4.107 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.059 -4.187 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.075 -3.423 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.757 -4.762 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.589 -5.065 -1.589 1.00 0.00 H new ATOM 302 N ASP A 18 -1.045 -8.949 -1.401 1.00 0.00 N ATOM 303 CA ASP A 18 -1.408 -10.289 -0.955 1.00 0.00 C ATOM 304 C ASP A 18 -2.748 -10.275 -0.226 1.00 0.00 C ATOM 305 O ASP A 18 -3.006 -9.402 0.603 1.00 0.00 O ATOM 306 CB ASP A 18 -0.322 -10.858 -0.041 1.00 0.00 C ATOM 307 CG ASP A 18 -0.529 -12.329 0.260 1.00 0.00 C ATOM 308 OD1 ASP A 18 -0.338 -13.155 -0.658 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.882 -12.655 1.412 1.00 0.00 O ATOM 0 H ASP A 18 -0.881 -8.284 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.500 -10.925 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.652 -10.720 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.308 -10.298 0.894 1.00 0.00 H new ATOM 314 N TRP A 19 -3.597 -11.246 -0.541 1.00 0.00 N ATOM 315 CA TRP A 19 -4.912 -11.345 0.083 1.00 0.00 C ATOM 316 C TRP A 19 -4.832 -11.027 1.572 1.00 0.00 C ATOM 317 O TRP A 19 -5.762 -10.461 2.146 1.00 0.00 O ATOM 318 CB TRP A 19 -5.493 -12.745 -0.121 1.00 0.00 C ATOM 319 CG TRP A 19 -4.669 -13.828 0.507 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.738 -14.612 -0.111 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.705 -14.246 1.876 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.192 -15.493 0.791 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.768 -15.288 2.017 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.435 -13.840 2.996 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.545 -15.929 3.233 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.213 -14.477 4.202 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.275 -15.512 4.314 1.00 0.00 C ATOM 0 H TRP A 19 -3.399 -11.976 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.568 -10.615 -0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.500 -12.777 0.295 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.584 -12.941 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.470 -14.549 -1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.474 -16.187 0.582 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.160 -13.043 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.822 -16.727 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.772 -14.172 5.074 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.125 -15.990 5.271 1.00 0.00 H new ATOM 338 N SER A 20 -3.715 -11.394 2.193 1.00 0.00 N ATOM 339 CA SER A 20 -3.516 -11.151 3.617 1.00 0.00 C ATOM 340 C SER A 20 -3.211 -9.679 3.879 1.00 0.00 C ATOM 341 O SER A 20 -3.672 -9.103 4.864 1.00 0.00 O ATOM 342 CB SER A 20 -2.378 -12.023 4.150 1.00 0.00 C ATOM 343 OG SER A 20 -2.464 -12.168 5.557 1.00 0.00 O ATOM 0 H SER A 20 -2.934 -11.861 1.732 1.00 0.00 H new ATOM 0 HA SER A 20 -4.438 -11.411 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.415 -13.004 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.419 -11.577 3.885 1.00 0.00 H new ATOM 0 HG SER A 20 -1.727 -12.731 5.874 1.00 0.00 H new ATOM 349 N THR A 21 -2.429 -9.076 2.988 1.00 0.00 N ATOM 350 CA THR A 21 -2.060 -7.672 3.123 1.00 0.00 C ATOM 351 C THR A 21 -3.231 -6.842 3.636 1.00 0.00 C ATOM 352 O THR A 21 -4.370 -7.020 3.201 1.00 0.00 O ATOM 353 CB THR A 21 -1.580 -7.087 1.781 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.564 -7.924 1.217 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.038 -5.678 1.968 1.00 0.00 C ATOM 0 H THR A 21 -2.040 -9.538 2.166 1.00 0.00 H new ATOM 0 HA THR A 21 -1.244 -7.627 3.844 1.00 0.00 H new ATOM 0 HB THR A 21 -2.432 -7.044 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.135 -7.366 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.705 -5.286 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.823 -5.037 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.197 -5.701 2.661 1.00 0.00 H new ATOM 363 N THR A 22 -2.946 -5.934 4.563 1.00 0.00 N ATOM 364 CA THR A 22 -3.975 -5.076 5.136 1.00 0.00 C ATOM 365 C THR A 22 -3.626 -3.603 4.959 1.00 0.00 C ATOM 366 O THR A 22 -2.459 -3.250 4.789 1.00 0.00 O ATOM 367 CB THR A 22 -4.179 -5.367 6.635 1.00 0.00 C ATOM 368 OG1 THR A 22 -2.921 -5.318 7.319 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.820 -6.731 6.840 1.00 0.00 C ATOM 0 H THR A 22 -2.009 -5.774 4.934 1.00 0.00 H new ATOM 0 HA THR A 22 -4.900 -5.293 4.602 1.00 0.00 H new ATOM 0 HB THR A 22 -4.844 -4.606 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.059 -5.502 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.954 -6.914 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.790 -6.756 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.176 -7.503 6.418 1.00 0.00 H new ATOM 377 N GLN A 23 -4.643 -2.749 5.000 1.00 0.00 N ATOM 378 CA GLN A 23 -4.442 -1.314 4.843 1.00 0.00 C ATOM 379 C GLN A 23 -3.534 -0.768 5.941 1.00 0.00 C ATOM 380 O GLN A 23 -2.769 0.170 5.717 1.00 0.00 O ATOM 381 CB GLN A 23 -5.786 -0.583 4.867 1.00 0.00 C ATOM 382 CG GLN A 23 -6.498 -0.576 3.524 1.00 0.00 C ATOM 383 CD GLN A 23 -8.002 -0.448 3.662 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.587 -0.898 4.648 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.638 0.169 2.673 1.00 0.00 N ATOM 0 H GLN A 23 -5.615 -3.026 5.141 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.961 -1.144 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.432 -1.052 5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.625 0.446 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.121 0.250 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.263 -1.495 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.114 0.527 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.651 0.285 2.712 1.00 0.00 H new ATOM 394 N GLU A 24 -3.624 -1.363 7.126 1.00 0.00 N ATOM 395 CA GLU A 24 -2.810 -0.935 8.258 1.00 0.00 C ATOM 396 C GLU A 24 -1.327 -1.153 7.976 1.00 0.00 C ATOM 397 O GLU A 24 -0.553 -0.199 7.885 1.00 0.00 O ATOM 398 CB GLU A 24 -3.217 -1.695 9.523 1.00 0.00 C ATOM 399 CG GLU A 24 -4.336 -1.025 10.302 1.00 0.00 C ATOM 400 CD GLU A 24 -3.840 0.110 11.177 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.133 0.997 10.655 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.160 0.111 12.384 1.00 0.00 O ATOM 0 H GLU A 24 -4.251 -2.142 7.327 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.979 0.131 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.530 -2.702 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.346 -1.798 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.081 -0.642 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.835 -1.767 10.925 1.00 0.00 H new ATOM 409 N THR A 25 -0.936 -2.416 7.837 1.00 0.00 N ATOM 410 CA THR A 25 0.454 -2.761 7.567 1.00 0.00 C ATOM 411 C THR A 25 0.950 -2.085 6.294 1.00 0.00 C ATOM 412 O THR A 25 2.104 -1.660 6.214 1.00 0.00 O ATOM 413 CB THR A 25 0.639 -4.285 7.432 1.00 0.00 C ATOM 414 OG1 THR A 25 0.210 -4.939 8.631 1.00 0.00 O ATOM 415 CG2 THR A 25 2.093 -4.630 7.151 1.00 0.00 C ATOM 0 H THR A 25 -1.563 -3.217 7.907 1.00 0.00 H new ATOM 0 HA THR A 25 1.039 -2.406 8.415 1.00 0.00 H new ATOM 0 HB THR A 25 0.032 -4.630 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.329 -5.907 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.199 -5.711 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.407 -4.155 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.717 -4.272 7.970 1.00 0.00 H new ATOM 423 N LEU A 26 0.074 -1.988 5.301 1.00 0.00 N ATOM 424 CA LEU A 26 0.423 -1.363 4.030 1.00 0.00 C ATOM 425 C LEU A 26 0.795 0.103 4.229 1.00 0.00 C ATOM 426 O LEU A 26 1.713 0.614 3.587 1.00 0.00 O ATOM 427 CB LEU A 26 -0.743 -1.476 3.046 1.00 0.00 C ATOM 428 CG LEU A 26 -0.469 -0.987 1.623 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.647 -1.800 0.985 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.735 -1.062 0.781 1.00 0.00 C ATOM 0 H LEU A 26 -0.884 -2.334 5.351 1.00 0.00 H new ATOM 0 HA LEU A 26 1.287 -1.886 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.051 -2.520 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.586 -0.913 3.446 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.150 0.054 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.828 -1.438 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.557 -1.696 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.357 -2.850 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.522 -0.710 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.084 -2.094 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.507 -0.436 1.228 1.00 0.00 H new ATOM 442 N ARG A 27 0.077 0.774 5.124 1.00 0.00 N ATOM 443 CA ARG A 27 0.332 2.181 5.409 1.00 0.00 C ATOM 444 C ARG A 27 1.764 2.386 5.895 1.00 0.00 C ATOM 445 O ARG A 27 2.544 3.107 5.273 1.00 0.00 O ATOM 446 CB ARG A 27 -0.653 2.698 6.458 1.00 0.00 C ATOM 447 CG ARG A 27 -2.031 3.011 5.898 1.00 0.00 C ATOM 448 CD ARG A 27 -3.106 2.900 6.967 1.00 0.00 C ATOM 449 NE ARG A 27 -4.279 3.711 6.651 1.00 0.00 N ATOM 450 CZ ARG A 27 -5.477 3.513 7.191 1.00 0.00 C ATOM 451 NH1 ARG A 27 -5.659 2.536 8.069 1.00 0.00 N ATOM 452 NH2 ARG A 27 -6.495 4.293 6.853 1.00 0.00 N ATOM 0 H ARG A 27 -0.686 0.366 5.664 1.00 0.00 H new ATOM 0 HA ARG A 27 0.196 2.743 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.752 1.954 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.243 3.598 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.035 4.018 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.257 2.326 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.405 1.857 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.696 3.214 7.927 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.173 4.471 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.878 1.934 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.580 2.386 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.359 5.046 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.414 4.140 7.268 1.00 0.00 H new ATOM 466 N SER A 28 2.101 1.749 7.012 1.00 0.00 N ATOM 467 CA SER A 28 3.437 1.865 7.585 1.00 0.00 C ATOM 468 C SER A 28 4.502 1.488 6.559 1.00 0.00 C ATOM 469 O SER A 28 5.381 2.289 6.238 1.00 0.00 O ATOM 470 CB SER A 28 3.564 0.972 8.821 1.00 0.00 C ATOM 471 OG SER A 28 2.962 1.578 9.951 1.00 0.00 O ATOM 0 H SER A 28 1.467 1.147 7.538 1.00 0.00 H new ATOM 0 HA SER A 28 3.591 2.903 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.093 0.008 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.617 0.777 9.026 1.00 0.00 H new ATOM 0 HG SER A 28 3.055 0.987 10.727 1.00 0.00 H new ATOM 477 N TYR A 29 4.417 0.264 6.050 1.00 0.00 N ATOM 478 CA TYR A 29 5.375 -0.221 5.063 1.00 0.00 C ATOM 479 C TYR A 29 5.788 0.897 4.110 1.00 0.00 C ATOM 480 O TYR A 29 6.973 1.087 3.835 1.00 0.00 O ATOM 481 CB TYR A 29 4.777 -1.386 4.272 1.00 0.00 C ATOM 482 CG TYR A 29 5.748 -2.020 3.302 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.758 -2.863 3.749 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.655 -1.777 1.937 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.647 -3.443 2.866 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.539 -2.354 1.046 1.00 0.00 C ATOM 487 CZ TYR A 29 7.534 -3.186 1.516 1.00 0.00 C ATOM 488 OH TYR A 29 8.417 -3.764 0.633 1.00 0.00 O ATOM 0 H TYR A 29 3.695 -0.410 6.304 1.00 0.00 H new ATOM 0 HA TYR A 29 6.262 -0.568 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.425 -2.146 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.906 -1.031 3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.849 -3.068 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.878 -1.125 1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.427 -4.095 3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.452 -2.155 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 29 8.666 -4.655 0.955 1.00 0.00 H new ATOM 498 N PHE A 30 4.802 1.634 3.610 1.00 0.00 N ATOM 499 CA PHE A 30 5.061 2.733 2.687 1.00 0.00 C ATOM 500 C PHE A 30 5.332 4.028 3.446 1.00 0.00 C ATOM 501 O PHE A 30 5.986 4.936 2.933 1.00 0.00 O ATOM 502 CB PHE A 30 3.874 2.922 1.740 1.00 0.00 C ATOM 503 CG PHE A 30 3.923 2.031 0.532 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.809 2.289 -0.501 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.081 0.934 0.430 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.856 1.471 -1.614 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.124 0.112 -0.680 1.00 0.00 C ATOM 508 CZ PHE A 30 4.012 0.381 -1.704 1.00 0.00 C ATOM 0 H PHE A 30 3.816 1.490 3.828 1.00 0.00 H new ATOM 0 HA PHE A 30 5.947 2.483 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.950 2.730 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.842 3.962 1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.471 3.140 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.384 0.720 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.552 1.684 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.464 -0.740 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.046 -0.260 -2.573 1.00 0.00 H new ATOM 518 N SER A 31 4.825 4.105 4.672 1.00 0.00 N ATOM 519 CA SER A 31 5.008 5.291 5.502 1.00 0.00 C ATOM 520 C SER A 31 6.490 5.568 5.734 1.00 0.00 C ATOM 521 O SER A 31 6.937 6.712 5.658 1.00 0.00 O ATOM 522 CB SER A 31 4.294 5.115 6.844 1.00 0.00 C ATOM 523 OG SER A 31 3.986 6.370 7.425 1.00 0.00 O ATOM 0 H SER A 31 4.284 3.361 5.113 1.00 0.00 H new ATOM 0 HA SER A 31 4.575 6.142 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.378 4.543 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.925 4.541 7.523 1.00 0.00 H new ATOM 0 HG SER A 31 3.529 6.231 8.281 1.00 0.00 H new ATOM 529 N GLN A 32 7.246 4.512 6.017 1.00 0.00 N ATOM 530 CA GLN A 32 8.678 4.641 6.261 1.00 0.00 C ATOM 531 C GLN A 32 9.344 5.467 5.166 1.00 0.00 C ATOM 532 O GLN A 32 10.362 6.119 5.399 1.00 0.00 O ATOM 533 CB GLN A 32 9.329 3.259 6.342 1.00 0.00 C ATOM 534 CG GLN A 32 8.705 2.237 5.407 1.00 0.00 C ATOM 535 CD GLN A 32 9.674 1.140 5.012 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.799 1.411 4.589 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.243 -0.109 5.147 1.00 0.00 N ATOM 0 H GLN A 32 6.891 3.558 6.083 1.00 0.00 H new ATOM 0 HA GLN A 32 8.815 5.155 7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.390 3.352 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.258 2.893 7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.835 1.792 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.348 2.742 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.304 -0.289 5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.851 -0.888 4.896 1.00 0.00 H new ATOM 546 N TYR A 33 8.764 5.434 3.972 1.00 0.00 N ATOM 547 CA TYR A 33 9.303 6.178 2.839 1.00 0.00 C ATOM 548 C TYR A 33 8.715 7.584 2.781 1.00 0.00 C ATOM 549 O TYR A 33 9.444 8.571 2.687 1.00 0.00 O ATOM 550 CB TYR A 33 9.015 5.437 1.532 1.00 0.00 C ATOM 551 CG TYR A 33 9.632 4.058 1.469 1.00 0.00 C ATOM 552 CD1 TYR A 33 8.975 2.957 2.005 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.871 3.857 0.873 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.535 1.695 1.949 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.437 2.598 0.812 1.00 0.00 C ATOM 556 CZ TYR A 33 10.766 1.521 1.352 1.00 0.00 C ATOM 557 OH TYR A 33 11.328 0.266 1.294 1.00 0.00 O ATOM 0 H TYR A 33 7.920 4.900 3.763 1.00 0.00 H new ATOM 0 HA TYR A 33 10.382 6.261 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.936 5.349 1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.388 6.031 0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.011 3.090 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.400 4.698 0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.012 0.850 2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.400 2.458 0.344 1.00 0.00 H new ATOM 0 HH TYR A 33 12.195 0.317 0.840 1.00 0.00 H new ATOM 567 N GLY A 34 7.389 7.667 2.838 1.00 0.00 N ATOM 568 CA GLY A 34 6.723 8.955 2.791 1.00 0.00 C ATOM 569 C GLY A 34 5.511 9.015 3.699 1.00 0.00 C ATOM 570 O GLY A 34 4.807 8.021 3.870 1.00 0.00 O ATOM 0 H GLY A 34 6.764 6.864 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.427 9.735 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.416 9.165 1.766 1.00 0.00 H new ATOM 574 N GLU A 35 5.269 10.184 4.284 1.00 0.00 N ATOM 575 CA GLU A 35 4.135 10.368 5.181 1.00 0.00 C ATOM 576 C GLU A 35 2.832 9.955 4.503 1.00 0.00 C ATOM 577 O GLU A 35 2.267 10.706 3.709 1.00 0.00 O ATOM 578 CB GLU A 35 4.046 11.827 5.635 1.00 0.00 C ATOM 579 CG GLU A 35 2.695 12.201 6.222 1.00 0.00 C ATOM 580 CD GLU A 35 2.797 13.289 7.273 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.691 14.152 7.149 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.982 13.278 8.219 1.00 0.00 O ATOM 0 H GLU A 35 5.843 11.017 4.153 1.00 0.00 H new ATOM 0 HA GLU A 35 4.288 9.732 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.820 12.015 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.256 12.477 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.035 12.535 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.237 11.316 6.664 1.00 0.00 H new ATOM 589 N VAL A 36 2.360 8.754 4.822 1.00 0.00 N ATOM 590 CA VAL A 36 1.124 8.239 4.245 1.00 0.00 C ATOM 591 C VAL A 36 -0.067 9.109 4.632 1.00 0.00 C ATOM 592 O VAL A 36 -0.320 9.343 5.814 1.00 0.00 O ATOM 593 CB VAL A 36 0.855 6.791 4.695 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.461 6.289 4.120 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.006 5.884 4.285 1.00 0.00 C ATOM 0 H VAL A 36 2.815 8.119 5.478 1.00 0.00 H new ATOM 0 HA VAL A 36 1.248 8.258 3.162 1.00 0.00 H new ATOM 0 HB VAL A 36 0.779 6.775 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.634 5.264 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.276 6.924 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.417 6.318 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.800 4.864 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.116 5.903 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.928 6.234 4.749 1.00 0.00 H new ATOM 605 N VAL A 37 -0.795 9.586 3.628 1.00 0.00 N ATOM 606 CA VAL A 37 -1.961 10.430 3.863 1.00 0.00 C ATOM 607 C VAL A 37 -3.250 9.619 3.784 1.00 0.00 C ATOM 608 O VAL A 37 -4.182 9.839 4.558 1.00 0.00 O ATOM 609 CB VAL A 37 -2.031 11.586 2.847 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.916 12.706 3.374 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.636 12.101 2.530 1.00 0.00 C ATOM 0 H VAL A 37 -0.598 9.403 2.644 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.856 10.844 4.866 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.472 11.210 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.954 13.514 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.922 12.324 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.506 13.083 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.704 12.917 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.165 12.461 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.038 11.294 2.107 1.00 0.00 H new ATOM 621 N ASP A 38 -3.297 8.682 2.844 1.00 0.00 N ATOM 622 CA ASP A 38 -4.471 7.837 2.664 1.00 0.00 C ATOM 623 C ASP A 38 -4.099 6.529 1.972 1.00 0.00 C ATOM 624 O ASP A 38 -3.620 6.530 0.837 1.00 0.00 O ATOM 625 CB ASP A 38 -5.537 8.574 1.850 1.00 0.00 C ATOM 626 CG ASP A 38 -6.943 8.129 2.200 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.196 6.905 2.199 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.790 9.003 2.477 1.00 0.00 O ATOM 0 H ASP A 38 -2.535 8.488 2.194 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.874 7.604 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.445 9.646 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.360 8.406 0.788 1.00 0.00 H new ATOM 633 N CYS A 39 -4.322 5.416 2.662 1.00 0.00 N ATOM 634 CA CYS A 39 -4.008 4.101 2.115 1.00 0.00 C ATOM 635 C CYS A 39 -5.282 3.337 1.773 1.00 0.00 C ATOM 636 O CYS A 39 -6.225 3.294 2.564 1.00 0.00 O ATOM 637 CB CYS A 39 -3.168 3.299 3.110 1.00 0.00 C ATOM 638 SG CYS A 39 -2.951 1.561 2.660 1.00 0.00 S ATOM 0 H CYS A 39 -4.719 5.398 3.601 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.434 4.243 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.187 3.765 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.638 3.353 4.092 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.835 0.845 3.739 1.00 0.00 H new ATOM 644 N VAL A 40 -5.305 2.735 0.588 1.00 0.00 N ATOM 645 CA VAL A 40 -6.464 1.972 0.140 1.00 0.00 C ATOM 646 C VAL A 40 -6.050 0.602 -0.387 1.00 0.00 C ATOM 647 O VAL A 40 -4.980 0.450 -0.976 1.00 0.00 O ATOM 648 CB VAL A 40 -7.238 2.721 -0.961 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.561 2.028 -1.249 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.462 4.171 -0.562 1.00 0.00 C ATOM 0 H VAL A 40 -4.534 2.761 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.113 1.844 1.007 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.642 2.707 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.094 2.571 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.372 1.007 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.166 2.008 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.010 4.685 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.037 4.209 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.499 4.660 -0.411 1.00 0.00 H new ATOM 660 N ILE A 41 -6.905 -0.392 -0.170 1.00 0.00 N ATOM 661 CA ILE A 41 -6.629 -1.749 -0.625 1.00 0.00 C ATOM 662 C ILE A 41 -7.850 -2.360 -1.304 1.00 0.00 C ATOM 663 O ILE A 41 -8.810 -2.752 -0.640 1.00 0.00 O ATOM 664 CB ILE A 41 -6.196 -2.656 0.541 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.813 -2.244 1.050 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.194 -4.114 0.106 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.198 -3.243 2.005 1.00 0.00 C ATOM 0 H ILE A 41 -7.794 -0.283 0.318 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.813 -1.681 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.911 -2.542 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.146 -2.110 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.891 -1.278 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.886 -4.743 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.196 -4.400 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.498 -4.245 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.219 -2.886 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.844 -3.360 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.087 -4.205 1.504 1.00 0.00 H new ATOM 679 N MET A 42 -7.806 -2.441 -2.629 1.00 0.00 N ATOM 680 CA MET A 42 -8.908 -3.008 -3.398 1.00 0.00 C ATOM 681 C MET A 42 -9.224 -4.425 -2.930 1.00 0.00 C ATOM 682 O MET A 42 -8.322 -5.238 -2.723 1.00 0.00 O ATOM 683 CB MET A 42 -8.567 -3.015 -4.889 1.00 0.00 C ATOM 684 CG MET A 42 -8.211 -1.643 -5.438 1.00 0.00 C ATOM 685 SD MET A 42 -9.663 -0.624 -5.757 1.00 0.00 S ATOM 686 CE MET A 42 -9.728 0.353 -4.258 1.00 0.00 C ATOM 0 H MET A 42 -7.019 -2.121 -3.193 1.00 0.00 H new ATOM 0 HA MET A 42 -9.789 -2.386 -3.237 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.731 -3.693 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.416 -3.411 -5.446 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.561 -1.130 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.645 -1.761 -6.362 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.167 1.326 -4.477 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.338 -0.161 -3.515 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.719 0.489 -3.868 1.00 0.00 H new ATOM 696 N LYS A 43 -10.510 -4.715 -2.763 1.00 0.00 N ATOM 697 CA LYS A 43 -10.946 -6.034 -2.321 1.00 0.00 C ATOM 698 C LYS A 43 -12.038 -6.581 -3.234 1.00 0.00 C ATOM 699 O LYS A 43 -12.783 -5.820 -3.851 1.00 0.00 O ATOM 700 CB LYS A 43 -11.457 -5.968 -0.880 1.00 0.00 C ATOM 701 CG LYS A 43 -10.359 -6.103 0.162 1.00 0.00 C ATOM 702 CD LYS A 43 -10.739 -5.419 1.464 1.00 0.00 C ATOM 703 CE LYS A 43 -9.526 -5.205 2.356 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.907 -4.672 3.693 1.00 0.00 N ATOM 0 H LYS A 43 -11.269 -4.054 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.089 -6.706 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.974 -5.020 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.191 -6.759 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.161 -7.159 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.436 -5.669 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.207 -4.459 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.478 -6.023 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.995 -6.149 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.837 -4.513 1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.052 -4.540 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.391 -3.759 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.544 -5.344 4.166 1.00 0.00 H new ATOM 718 N ASP A 44 -12.129 -7.904 -3.313 1.00 0.00 N ATOM 719 CA ASP A 44 -13.133 -8.553 -4.149 1.00 0.00 C ATOM 720 C ASP A 44 -14.527 -8.017 -3.839 1.00 0.00 C ATOM 721 O ASP A 44 -14.726 -7.305 -2.854 1.00 0.00 O ATOM 722 CB ASP A 44 -13.098 -10.068 -3.943 1.00 0.00 C ATOM 723 CG ASP A 44 -14.163 -10.786 -4.747 1.00 0.00 C ATOM 724 OD1 ASP A 44 -15.284 -10.960 -4.226 1.00 0.00 O ATOM 725 OD2 ASP A 44 -13.875 -11.174 -5.899 1.00 0.00 O ATOM 0 H ASP A 44 -11.520 -8.548 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.901 -8.331 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.116 -10.448 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.234 -10.291 -2.885 1.00 0.00 H new ATOM 730 N LYS A 45 -15.491 -8.363 -4.686 1.00 0.00 N ATOM 731 CA LYS A 45 -16.867 -7.918 -4.503 1.00 0.00 C ATOM 732 C LYS A 45 -17.573 -8.755 -3.441 1.00 0.00 C ATOM 733 O LYS A 45 -18.110 -8.221 -2.470 1.00 0.00 O ATOM 734 CB LYS A 45 -17.632 -8.003 -5.826 1.00 0.00 C ATOM 735 CG LYS A 45 -19.101 -7.635 -5.704 1.00 0.00 C ATOM 736 CD LYS A 45 -19.287 -6.136 -5.536 1.00 0.00 C ATOM 737 CE LYS A 45 -20.750 -5.740 -5.661 1.00 0.00 C ATOM 738 NZ LYS A 45 -21.180 -5.643 -7.083 1.00 0.00 N ATOM 0 H LYS A 45 -15.344 -8.951 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.846 -6.881 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.160 -7.342 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.551 -9.017 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.637 -7.972 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.538 -8.155 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.907 -5.828 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.700 -5.609 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.370 -6.472 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.910 -4.781 -5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.183 -5.371 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.606 -4.926 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.052 -6.564 -7.548 1.00 0.00 H new ATOM 752 N THR A 46 -17.567 -10.071 -3.630 1.00 0.00 N ATOM 753 CA THR A 46 -18.206 -10.981 -2.688 1.00 0.00 C ATOM 754 C THR A 46 -17.247 -11.381 -1.573 1.00 0.00 C ATOM 755 O THR A 46 -17.520 -11.156 -0.393 1.00 0.00 O ATOM 756 CB THR A 46 -18.715 -12.253 -3.393 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.632 -11.901 -4.435 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.398 -13.184 -2.403 1.00 0.00 C ATOM 0 H THR A 46 -17.126 -10.530 -4.427 1.00 0.00 H new ATOM 0 HA THR A 46 -19.054 -10.448 -2.260 1.00 0.00 H new ATOM 0 HB THR A 46 -17.858 -12.771 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.950 -12.714 -4.880 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.749 -14.075 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.689 -13.473 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.246 -12.672 -1.948 1.00 0.00 H new ATOM 766 N THR A 47 -16.120 -11.976 -1.953 1.00 0.00 N ATOM 767 CA THR A 47 -15.120 -12.408 -0.985 1.00 0.00 C ATOM 768 C THR A 47 -14.646 -11.242 -0.126 1.00 0.00 C ATOM 769 O THR A 47 -14.386 -11.402 1.066 1.00 0.00 O ATOM 770 CB THR A 47 -13.903 -13.046 -1.681 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.340 -13.979 -2.675 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.010 -13.753 -0.672 1.00 0.00 C ATOM 0 H THR A 47 -15.877 -12.169 -2.925 1.00 0.00 H new ATOM 0 HA THR A 47 -15.598 -13.153 -0.349 1.00 0.00 H new ATOM 0 HB THR A 47 -13.328 -12.252 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.560 -14.379 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.158 -14.195 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.654 -13.034 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.577 -14.537 -0.170 1.00 0.00 H new ATOM 780 N ASN A 48 -14.537 -10.068 -0.739 1.00 0.00 N ATOM 781 CA ASN A 48 -14.094 -8.873 -0.028 1.00 0.00 C ATOM 782 C ASN A 48 -12.670 -9.045 0.491 1.00 0.00 C ATOM 783 O ASN A 48 -12.352 -8.633 1.606 1.00 0.00 O ATOM 784 CB ASN A 48 -15.040 -8.566 1.135 1.00 0.00 C ATOM 785 CG ASN A 48 -16.499 -8.681 0.739 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.956 -8.015 -0.191 1.00 0.00 O ATOM 787 ND2 ASN A 48 -17.239 -9.528 1.446 1.00 0.00 N ATOM 0 H ASN A 48 -14.749 -9.918 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.107 -8.038 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.834 -9.251 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.844 -7.559 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.228 -9.647 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.818 -10.059 2.208 1.00 0.00 H new ATOM 794 N GLN A 49 -11.818 -9.656 -0.326 1.00 0.00 N ATOM 795 CA GLN A 49 -10.428 -9.883 0.052 1.00 0.00 C ATOM 796 C GLN A 49 -9.480 -9.165 -0.904 1.00 0.00 C ATOM 797 O GLN A 49 -9.740 -9.081 -2.104 1.00 0.00 O ATOM 798 CB GLN A 49 -10.119 -11.381 0.066 1.00 0.00 C ATOM 799 CG GLN A 49 -10.805 -12.133 1.194 1.00 0.00 C ATOM 800 CD GLN A 49 -10.163 -13.477 1.475 1.00 0.00 C ATOM 801 OE1 GLN A 49 -10.748 -14.527 1.206 1.00 0.00 O ATOM 802 NE2 GLN A 49 -8.952 -13.453 2.019 1.00 0.00 N ATOM 0 H GLN A 49 -12.065 -10.002 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.280 -9.480 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.423 -11.815 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.041 -11.520 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.779 -11.526 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.855 -12.282 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.503 -12.561 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.470 -14.327 2.230 1.00 0.00 H new ATOM 811 N SER A 50 -8.381 -8.649 -0.363 1.00 0.00 N ATOM 812 CA SER A 50 -7.397 -7.934 -1.167 1.00 0.00 C ATOM 813 C SER A 50 -7.045 -8.724 -2.424 1.00 0.00 C ATOM 814 O SER A 50 -6.264 -9.674 -2.374 1.00 0.00 O ATOM 815 CB SER A 50 -6.133 -7.669 -0.346 1.00 0.00 C ATOM 816 OG SER A 50 -5.042 -7.333 -1.186 1.00 0.00 O ATOM 0 H SER A 50 -8.150 -8.713 0.628 1.00 0.00 H new ATOM 0 HA SER A 50 -7.833 -6.981 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.317 -6.858 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.885 -8.553 0.242 1.00 0.00 H new ATOM 0 HG SER A 50 -4.247 -7.167 -0.638 1.00 0.00 H new ATOM 822 N ARG A 51 -7.628 -8.324 -3.549 1.00 0.00 N ATOM 823 CA ARG A 51 -7.378 -8.994 -4.819 1.00 0.00 C ATOM 824 C ARG A 51 -5.882 -9.057 -5.115 1.00 0.00 C ATOM 825 O ARG A 51 -5.392 -10.034 -5.680 1.00 0.00 O ATOM 826 CB ARG A 51 -8.104 -8.269 -5.954 1.00 0.00 C ATOM 827 CG ARG A 51 -9.562 -8.672 -6.100 1.00 0.00 C ATOM 828 CD ARG A 51 -10.393 -7.548 -6.698 1.00 0.00 C ATOM 829 NE ARG A 51 -11.526 -8.055 -7.469 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.418 -8.542 -8.700 1.00 0.00 C ATOM 831 NH1 ARG A 51 -10.235 -8.588 -9.297 1.00 0.00 N ATOM 832 NH2 ARG A 51 -12.495 -8.985 -9.336 1.00 0.00 N ATOM 0 H ARG A 51 -8.277 -7.539 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.759 -10.012 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.049 -7.194 -5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.585 -8.468 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.635 -9.556 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.965 -8.945 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.758 -6.903 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.763 -6.934 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.450 -8.034 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.405 -8.249 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.155 -8.963 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.407 -8.952 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.411 -9.359 -10.281 1.00 0.00 H new ATOM 846 N GLY A 52 -5.163 -8.007 -4.731 1.00 0.00 N ATOM 847 CA GLY A 52 -3.732 -7.962 -4.965 1.00 0.00 C ATOM 848 C GLY A 52 -3.278 -6.633 -5.534 1.00 0.00 C ATOM 849 O GLY A 52 -2.356 -6.580 -6.349 1.00 0.00 O ATOM 0 H GLY A 52 -5.546 -7.186 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.208 -8.150 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.454 -8.761 -5.652 1.00 0.00 H new ATOM 853 N PHE A 53 -3.927 -5.555 -5.106 1.00 0.00 N ATOM 854 CA PHE A 53 -3.587 -4.219 -5.581 1.00 0.00 C ATOM 855 C PHE A 53 -4.373 -3.155 -4.820 1.00 0.00 C ATOM 856 O PHE A 53 -5.489 -3.400 -4.364 1.00 0.00 O ATOM 857 CB PHE A 53 -3.867 -4.101 -7.081 1.00 0.00 C ATOM 858 CG PHE A 53 -5.291 -4.403 -7.450 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.695 -5.704 -7.699 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.226 -3.385 -7.549 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.005 -5.985 -8.040 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.537 -3.659 -7.889 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.927 -4.961 -8.134 1.00 0.00 C ATOM 0 H PHE A 53 -4.691 -5.581 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.524 -4.057 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.621 -3.091 -7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.208 -4.782 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.978 -6.509 -7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.926 -2.365 -7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.307 -7.004 -8.233 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.256 -2.856 -7.963 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.951 -5.178 -8.399 1.00 0.00 H new ATOM 873 N GLY A 54 -3.781 -1.972 -4.688 1.00 0.00 N ATOM 874 CA GLY A 54 -4.439 -0.888 -3.981 1.00 0.00 C ATOM 875 C GLY A 54 -3.869 0.469 -4.342 1.00 0.00 C ATOM 876 O GLY A 54 -3.495 0.708 -5.491 1.00 0.00 O ATOM 0 H GLY A 54 -2.858 -1.745 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.505 -0.903 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.341 -1.046 -2.907 1.00 0.00 H new ATOM 880 N PHE A 55 -3.804 1.362 -3.360 1.00 0.00 N ATOM 881 CA PHE A 55 -3.278 2.704 -3.581 1.00 0.00 C ATOM 882 C PHE A 55 -2.693 3.278 -2.293 1.00 0.00 C ATOM 883 O PHE A 55 -3.027 2.833 -1.195 1.00 0.00 O ATOM 884 CB PHE A 55 -4.379 3.626 -4.109 1.00 0.00 C ATOM 885 CG PHE A 55 -4.946 3.188 -5.429 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.998 2.289 -5.483 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.425 3.677 -6.617 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.520 1.884 -6.697 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.944 3.276 -7.834 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.994 2.379 -7.874 1.00 0.00 C ATOM 0 H PHE A 55 -4.109 1.181 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.482 2.637 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.184 3.675 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.979 4.635 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.415 1.900 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.605 4.379 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.339 1.181 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.529 3.664 -8.753 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.402 2.066 -8.823 1.00 0.00 H new ATOM 900 N VAL A 56 -1.818 4.267 -2.438 1.00 0.00 N ATOM 901 CA VAL A 56 -1.186 4.903 -1.288 1.00 0.00 C ATOM 902 C VAL A 56 -0.912 6.378 -1.557 1.00 0.00 C ATOM 903 O VAL A 56 -0.229 6.729 -2.519 1.00 0.00 O ATOM 904 CB VAL A 56 0.137 4.206 -0.918 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.825 4.937 0.225 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.112 2.749 -0.556 1.00 0.00 C ATOM 0 H VAL A 56 -1.530 4.646 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.882 4.812 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 56 0.797 4.234 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.758 4.430 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.038 5.963 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.173 4.943 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.833 2.272 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.790 2.696 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.558 2.234 -1.407 1.00 0.00 H new ATOM 916 N LYS A 57 -1.449 7.240 -0.699 1.00 0.00 N ATOM 917 CA LYS A 57 -1.262 8.679 -0.842 1.00 0.00 C ATOM 918 C LYS A 57 -0.041 9.149 -0.058 1.00 0.00 C ATOM 919 O LYS A 57 0.319 8.560 0.961 1.00 0.00 O ATOM 920 CB LYS A 57 -2.509 9.426 -0.361 1.00 0.00 C ATOM 921 CG LYS A 57 -2.744 10.742 -1.081 1.00 0.00 C ATOM 922 CD LYS A 57 -3.986 11.447 -0.562 1.00 0.00 C ATOM 923 CE LYS A 57 -4.078 12.872 -1.087 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.823 12.941 -2.375 1.00 0.00 N ATOM 0 H LYS A 57 -2.017 6.966 0.103 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.100 8.897 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.381 8.786 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.418 9.617 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.876 11.389 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.848 10.559 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.874 10.890 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.970 11.460 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.573 13.501 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.074 13.273 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.864 13.928 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.337 12.361 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.789 12.582 -2.237 1.00 0.00 H new ATOM 938 N PHE A 58 0.591 10.214 -0.540 1.00 0.00 N ATOM 939 CA PHE A 58 1.772 10.764 0.117 1.00 0.00 C ATOM 940 C PHE A 58 1.662 12.280 0.252 1.00 0.00 C ATOM 941 O PHE A 58 1.460 12.990 -0.733 1.00 0.00 O ATOM 942 CB PHE A 58 3.033 10.400 -0.669 1.00 0.00 C ATOM 943 CG PHE A 58 3.523 9.005 -0.406 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.254 8.717 0.736 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.251 7.981 -1.299 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.705 7.434 0.980 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.700 6.696 -1.059 1.00 0.00 C ATOM 948 CZ PHE A 58 4.427 6.422 0.082 1.00 0.00 C ATOM 0 H PHE A 58 0.306 10.713 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 58 1.837 10.332 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.832 10.511 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.824 11.107 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.473 9.504 1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.682 8.189 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.275 7.222 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.482 5.907 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.778 5.418 0.272 1.00 0.00 H new ATOM 958 N LYS A 59 1.798 12.769 1.480 1.00 0.00 N ATOM 959 CA LYS A 59 1.716 14.200 1.747 1.00 0.00 C ATOM 960 C LYS A 59 2.480 14.995 0.694 1.00 0.00 C ATOM 961 O LYS A 59 2.068 16.090 0.309 1.00 0.00 O ATOM 962 CB LYS A 59 2.270 14.513 3.139 1.00 0.00 C ATOM 963 CG LYS A 59 1.808 15.850 3.691 1.00 0.00 C ATOM 964 CD LYS A 59 1.847 15.869 5.210 1.00 0.00 C ATOM 965 CE LYS A 59 1.935 17.290 5.748 1.00 0.00 C ATOM 966 NZ LYS A 59 0.596 17.936 5.830 1.00 0.00 N ATOM 0 H LYS A 59 1.966 12.195 2.306 1.00 0.00 H new ATOM 0 HA LYS A 59 0.667 14.492 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.970 13.722 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.359 14.503 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.443 16.645 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.793 16.055 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.954 15.384 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.703 15.293 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.393 17.276 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.585 17.882 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.699 18.902 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.170 17.973 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.017 17.385 6.464 1.00 0.00 H new ATOM 980 N ASP A 60 3.593 14.437 0.230 1.00 0.00 N ATOM 981 CA ASP A 60 4.413 15.094 -0.781 1.00 0.00 C ATOM 982 C ASP A 60 4.537 14.224 -2.028 1.00 0.00 C ATOM 983 O ASP A 60 4.667 13.002 -1.953 1.00 0.00 O ATOM 984 CB ASP A 60 5.802 15.403 -0.220 1.00 0.00 C ATOM 985 CG ASP A 60 6.445 16.600 -0.893 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.907 17.718 -0.754 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.486 16.418 -1.557 1.00 0.00 O ATOM 0 H ASP A 60 3.948 13.532 0.538 1.00 0.00 H new ATOM 0 HA ASP A 60 3.926 16.029 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.725 15.590 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.444 14.531 -0.346 1.00 0.00 H new ATOM 992 N PRO A 61 4.494 14.867 -3.205 1.00 0.00 N ATOM 993 CA PRO A 61 4.599 14.171 -4.491 1.00 0.00 C ATOM 994 C PRO A 61 5.997 13.613 -4.736 1.00 0.00 C ATOM 995 O PRO A 61 6.200 12.793 -5.630 1.00 0.00 O ATOM 996 CB PRO A 61 4.273 15.264 -5.513 1.00 0.00 C ATOM 997 CG PRO A 61 4.629 16.539 -4.830 1.00 0.00 C ATOM 998 CD PRO A 61 4.340 16.322 -3.370 1.00 0.00 C ATOM 0 HA PRO A 61 3.936 13.308 -4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.847 15.132 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.219 15.245 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.679 16.786 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.044 17.370 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.034 16.874 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.335 16.652 -3.106 1.00 0.00 H new ATOM 1006 N ASN A 62 6.957 14.063 -3.935 1.00 0.00 N ATOM 1007 CA ASN A 62 8.337 13.607 -4.065 1.00 0.00 C ATOM 1008 C ASN A 62 8.517 12.230 -3.434 1.00 0.00 C ATOM 1009 O ASN A 62 9.389 11.460 -3.838 1.00 0.00 O ATOM 1010 CB ASN A 62 9.290 14.609 -3.410 1.00 0.00 C ATOM 1011 CG ASN A 62 9.352 15.925 -4.161 1.00 0.00 C ATOM 1012 OD1 ASN A 62 10.308 16.193 -4.889 1.00 0.00 O ATOM 1013 ND2 ASN A 62 8.329 16.754 -3.987 1.00 0.00 N ATOM 0 H ASN A 62 6.806 14.742 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 62 8.571 13.533 -5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.970 14.794 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.289 14.176 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.315 17.654 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.558 16.490 -3.374 1.00 0.00 H new ATOM 1020 N CYS A 63 7.686 11.926 -2.443 1.00 0.00 N ATOM 1021 CA CYS A 63 7.753 10.641 -1.756 1.00 0.00 C ATOM 1022 C CYS A 63 7.602 9.488 -2.743 1.00 0.00 C ATOM 1023 O CYS A 63 8.341 8.505 -2.683 1.00 0.00 O ATOM 1024 CB CYS A 63 6.666 10.555 -0.684 1.00 0.00 C ATOM 1025 SG CYS A 63 6.812 11.804 0.616 1.00 0.00 S ATOM 0 H CYS A 63 6.958 12.552 -2.097 1.00 0.00 H new ATOM 0 HA CYS A 63 8.730 10.562 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.691 10.655 -1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.698 9.566 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 63 5.848 11.652 1.474 1.00 0.00 H new ATOM 1031 N VAL A 64 6.640 9.615 -3.651 1.00 0.00 N ATOM 1032 CA VAL A 64 6.391 8.584 -4.651 1.00 0.00 C ATOM 1033 C VAL A 64 7.689 8.143 -5.320 1.00 0.00 C ATOM 1034 O VAL A 64 7.993 6.953 -5.384 1.00 0.00 O ATOM 1035 CB VAL A 64 5.411 9.075 -5.733 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.115 7.965 -6.730 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.128 9.586 -5.095 1.00 0.00 C ATOM 0 H VAL A 64 6.020 10.422 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 64 5.948 7.737 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 64 5.876 9.900 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.421 8.331 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.042 7.650 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.670 7.117 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.446 9.929 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.658 8.782 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.360 10.414 -4.425 1.00 0.00 H new ATOM 1047 N GLY A 65 8.451 9.112 -5.818 1.00 0.00 N ATOM 1048 CA GLY A 65 9.707 8.804 -6.475 1.00 0.00 C ATOM 1049 C GLY A 65 10.651 8.021 -5.584 1.00 0.00 C ATOM 1050 O GLY A 65 11.130 6.951 -5.961 1.00 0.00 O ATOM 0 H GLY A 65 8.221 10.105 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.509 8.231 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.189 9.732 -6.783 1.00 0.00 H new ATOM 1054 N THR A 66 10.923 8.556 -4.398 1.00 0.00 N ATOM 1055 CA THR A 66 11.818 7.902 -3.451 1.00 0.00 C ATOM 1056 C THR A 66 11.552 6.402 -3.390 1.00 0.00 C ATOM 1057 O THR A 66 12.483 5.598 -3.342 1.00 0.00 O ATOM 1058 CB THR A 66 11.672 8.496 -2.038 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.032 9.882 -2.049 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.547 7.747 -1.043 1.00 0.00 C ATOM 0 H THR A 66 10.536 9.441 -4.070 1.00 0.00 H new ATOM 0 HA THR A 66 12.834 8.074 -3.806 1.00 0.00 H new ATOM 0 HB THR A 66 10.631 8.394 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.935 10.252 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.427 8.184 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.251 6.698 -1.015 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.591 7.821 -1.349 1.00 0.00 H new ATOM 1068 N VAL A 67 10.276 6.031 -3.392 1.00 0.00 N ATOM 1069 CA VAL A 67 9.888 4.627 -3.339 1.00 0.00 C ATOM 1070 C VAL A 67 10.128 3.939 -4.678 1.00 0.00 C ATOM 1071 O VAL A 67 10.593 2.799 -4.728 1.00 0.00 O ATOM 1072 CB VAL A 67 8.406 4.468 -2.951 1.00 0.00 C ATOM 1073 CG1 VAL A 67 8.040 2.997 -2.826 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.112 5.211 -1.656 1.00 0.00 C ATOM 0 H VAL A 67 9.493 6.684 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 67 10.508 4.157 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 67 7.794 4.903 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.989 2.906 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.211 2.497 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.658 2.532 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.060 5.088 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.733 4.807 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.332 6.271 -1.786 1.00 0.00 H new ATOM 1084 N LEU A 68 9.808 4.637 -5.761 1.00 0.00 N ATOM 1085 CA LEU A 68 9.989 4.094 -7.103 1.00 0.00 C ATOM 1086 C LEU A 68 11.435 3.662 -7.325 1.00 0.00 C ATOM 1087 O LEU A 68 11.697 2.638 -7.955 1.00 0.00 O ATOM 1088 CB LEU A 68 9.589 5.132 -8.153 1.00 0.00 C ATOM 1089 CG LEU A 68 8.098 5.457 -8.241 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.850 6.557 -9.262 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.300 4.210 -8.594 1.00 0.00 C ATOM 0 H LEU A 68 9.422 5.581 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 68 9.347 3.218 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.130 6.055 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.922 4.779 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 68 7.766 5.813 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.783 6.775 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.391 7.456 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.198 6.230 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.241 4.460 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.635 3.824 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.452 3.451 -7.826 1.00 0.00 H new ATOM 1103 N ALA A 69 12.370 4.447 -6.800 1.00 0.00 N ATOM 1104 CA ALA A 69 13.788 4.143 -6.936 1.00 0.00 C ATOM 1105 C ALA A 69 14.182 2.957 -6.063 1.00 0.00 C ATOM 1106 O ALA A 69 15.062 2.174 -6.421 1.00 0.00 O ATOM 1107 CB ALA A 69 14.626 5.363 -6.583 1.00 0.00 C ATOM 0 H ALA A 69 12.170 5.299 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 69 13.978 3.874 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.684 5.121 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.373 6.185 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.423 5.658 -5.554 1.00 0.00 H new ATOM 1113 N SER A 70 13.526 2.831 -4.914 1.00 0.00 N ATOM 1114 CA SER A 70 13.811 1.743 -3.986 1.00 0.00 C ATOM 1115 C SER A 70 13.393 0.400 -4.578 1.00 0.00 C ATOM 1116 O SER A 70 13.912 -0.648 -4.196 1.00 0.00 O ATOM 1117 CB SER A 70 13.088 1.974 -2.657 1.00 0.00 C ATOM 1118 OG SER A 70 13.892 2.724 -1.764 1.00 0.00 O ATOM 0 H SER A 70 12.793 3.469 -4.603 1.00 0.00 H new ATOM 0 HA SER A 70 14.886 1.724 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.150 2.500 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.835 1.015 -2.205 1.00 0.00 H new ATOM 0 HG SER A 70 13.333 3.372 -1.286 1.00 0.00 H new ATOM 1124 N ARG A 71 12.451 0.442 -5.515 1.00 0.00 N ATOM 1125 CA ARG A 71 11.961 -0.770 -6.160 1.00 0.00 C ATOM 1126 C ARG A 71 13.113 -1.717 -6.484 1.00 0.00 C ATOM 1127 O ARG A 71 14.264 -1.307 -6.631 1.00 0.00 O ATOM 1128 CB ARG A 71 11.200 -0.420 -7.440 1.00 0.00 C ATOM 1129 CG ARG A 71 9.775 0.048 -7.193 1.00 0.00 C ATOM 1130 CD ARG A 71 9.209 0.773 -8.403 1.00 0.00 C ATOM 1131 NE ARG A 71 8.804 -0.154 -9.457 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.636 0.204 -10.725 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.837 1.461 -11.095 1.00 0.00 N ATOM 1134 NH2 ARG A 71 8.267 -0.698 -11.626 1.00 0.00 N ATOM 0 H ARG A 71 12.012 1.302 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 71 11.284 -1.271 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.743 0.361 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.179 -1.294 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.146 -0.809 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.753 0.710 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.351 1.372 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.957 1.463 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 71 8.641 -1.129 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.122 2.156 -10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.707 1.733 -12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.112 -1.666 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.138 -0.423 -12.600 1.00 0.00 H new ATOM 1148 N PRO A 72 12.798 -3.016 -6.596 1.00 0.00 N ATOM 1149 CA PRO A 72 11.431 -3.517 -6.422 1.00 0.00 C ATOM 1150 C PRO A 72 10.961 -3.428 -4.974 1.00 0.00 C ATOM 1151 O PRO A 72 11.676 -2.921 -4.109 1.00 0.00 O ATOM 1152 CB PRO A 72 11.531 -4.980 -6.862 1.00 0.00 C ATOM 1153 CG PRO A 72 12.957 -5.346 -6.640 1.00 0.00 C ATOM 1154 CD PRO A 72 13.751 -4.096 -6.901 1.00 0.00 C ATOM 0 HA PRO A 72 10.708 -2.934 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.864 -5.615 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.250 -5.099 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.114 -5.703 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.263 -6.149 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.636 -4.042 -6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.096 -4.048 -7.934 1.00 0.00 H new ATOM 1162 N HIS A 73 9.755 -3.924 -4.716 1.00 0.00 N ATOM 1163 CA HIS A 73 9.190 -3.900 -3.372 1.00 0.00 C ATOM 1164 C HIS A 73 8.516 -5.229 -3.043 1.00 0.00 C ATOM 1165 O HIS A 73 7.989 -5.906 -3.926 1.00 0.00 O ATOM 1166 CB HIS A 73 8.183 -2.757 -3.239 1.00 0.00 C ATOM 1167 CG HIS A 73 8.819 -1.427 -2.974 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.947 -0.893 -1.709 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.366 -0.523 -3.819 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.543 0.283 -1.788 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.809 0.531 -3.058 1.00 0.00 N ATOM 0 H HIS A 73 9.150 -4.347 -5.420 1.00 0.00 H new ATOM 0 HA HIS A 73 10.004 -3.740 -2.665 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.595 -2.693 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.490 -2.987 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.440 -0.613 -4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.774 0.932 -0.956 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.268 1.369 -3.415 1.00 0.00 H new ATOM 1180 N THR A 74 8.536 -5.597 -1.766 1.00 0.00 N ATOM 1181 CA THR A 74 7.929 -6.845 -1.320 1.00 0.00 C ATOM 1182 C THR A 74 7.377 -6.714 0.095 1.00 0.00 C ATOM 1183 O THR A 74 8.134 -6.685 1.067 1.00 0.00 O ATOM 1184 CB THR A 74 8.939 -8.007 -1.359 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.558 -8.075 -2.649 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.255 -9.330 -1.049 1.00 0.00 C ATOM 0 H THR A 74 8.966 -5.048 -1.022 1.00 0.00 H new ATOM 0 HA THR A 74 7.111 -7.061 -2.007 1.00 0.00 H new ATOM 0 HB THR A 74 9.700 -7.823 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.200 -8.815 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.989 -10.135 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.810 -9.285 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.475 -9.518 -1.787 1.00 0.00 H new ATOM 1194 N LEU A 75 6.056 -6.635 0.205 1.00 0.00 N ATOM 1195 CA LEU A 75 5.402 -6.507 1.503 1.00 0.00 C ATOM 1196 C LEU A 75 4.536 -7.728 1.798 1.00 0.00 C ATOM 1197 O LEU A 75 4.062 -8.401 0.883 1.00 0.00 O ATOM 1198 CB LEU A 75 4.548 -5.239 1.543 1.00 0.00 C ATOM 1199 CG LEU A 75 3.468 -5.192 2.624 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.098 -5.084 4.004 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.517 -4.030 2.377 1.00 0.00 C ATOM 0 H LEU A 75 5.416 -6.657 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 75 6.176 -6.440 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.209 -4.384 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.068 -5.117 0.572 1.00 0.00 H new ATOM 0 HG LEU A 75 2.896 -6.119 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.314 -5.052 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.737 -5.949 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.695 -4.174 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.755 -4.012 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.075 -3.094 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.039 -4.151 1.405 1.00 0.00 H new ATOM 1213 N ASP A 76 4.332 -8.005 3.081 1.00 0.00 N ATOM 1214 CA ASP A 76 3.520 -9.142 3.498 1.00 0.00 C ATOM 1215 C ASP A 76 4.018 -10.431 2.852 1.00 0.00 C ATOM 1216 O ASP A 76 3.226 -11.257 2.401 1.00 0.00 O ATOM 1217 CB ASP A 76 2.052 -8.908 3.134 1.00 0.00 C ATOM 1218 CG ASP A 76 1.333 -8.049 4.155 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.655 -6.847 4.251 1.00 0.00 O ATOM 1220 OD2 ASP A 76 0.448 -8.580 4.859 1.00 0.00 O ATOM 0 H ASP A 76 4.718 -7.458 3.850 1.00 0.00 H new ATOM 0 HA ASP A 76 3.607 -9.242 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.995 -8.430 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.544 -9.869 3.049 1.00 0.00 H new ATOM 1225 N GLY A 77 5.336 -10.596 2.811 1.00 0.00 N ATOM 1226 CA GLY A 77 5.917 -11.786 2.218 1.00 0.00 C ATOM 1227 C GLY A 77 5.416 -12.035 0.809 1.00 0.00 C ATOM 1228 O GLY A 77 5.360 -13.179 0.356 1.00 0.00 O ATOM 0 H GLY A 77 6.012 -9.926 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.002 -11.688 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.684 -12.650 2.841 1.00 0.00 H new ATOM 1232 N ARG A 78 5.049 -10.963 0.115 1.00 0.00 N ATOM 1233 CA ARG A 78 4.546 -11.071 -1.249 1.00 0.00 C ATOM 1234 C ARG A 78 5.232 -10.060 -2.163 1.00 0.00 C ATOM 1235 O ARG A 78 5.583 -8.961 -1.736 1.00 0.00 O ATOM 1236 CB ARG A 78 3.032 -10.854 -1.277 1.00 0.00 C ATOM 1237 CG ARG A 78 2.322 -11.653 -2.357 1.00 0.00 C ATOM 1238 CD ARG A 78 2.271 -10.890 -3.672 1.00 0.00 C ATOM 1239 NE ARG A 78 2.048 -11.777 -4.811 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.885 -11.346 -6.057 1.00 0.00 C ATOM 1241 NH1 ARG A 78 1.920 -10.047 -6.322 1.00 0.00 N ATOM 1242 NH2 ARG A 78 1.686 -12.214 -7.040 1.00 0.00 N ATOM 0 H ARG A 78 5.091 -10.010 0.475 1.00 0.00 H new ATOM 0 HA ARG A 78 4.769 -12.074 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.617 -11.123 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.828 -9.794 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.836 -12.603 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.308 -11.887 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.474 -10.147 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.206 -10.347 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 78 2.016 -12.782 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.072 -9.377 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.795 -9.718 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.658 -13.214 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.561 -11.882 -7.996 1.00 0.00 H new ATOM 1256 N ASN A 79 5.421 -10.441 -3.423 1.00 0.00 N ATOM 1257 CA ASN A 79 6.066 -9.568 -4.397 1.00 0.00 C ATOM 1258 C ASN A 79 5.101 -8.493 -4.887 1.00 0.00 C ATOM 1259 O ASN A 79 4.057 -8.799 -5.465 1.00 0.00 O ATOM 1260 CB ASN A 79 6.581 -10.386 -5.583 1.00 0.00 C ATOM 1261 CG ASN A 79 5.632 -11.503 -5.971 1.00 0.00 C ATOM 1262 OD1 ASN A 79 4.856 -11.372 -6.918 1.00 0.00 O ATOM 1263 ND2 ASN A 79 5.690 -12.610 -5.240 1.00 0.00 N ATOM 0 H ASN A 79 5.137 -11.348 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 79 6.909 -9.079 -3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.730 -9.727 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.554 -10.810 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.076 -13.396 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.349 -12.675 -4.464 1.00 0.00 H new ATOM 1270 N ILE A 80 5.457 -7.235 -4.653 1.00 0.00 N ATOM 1271 CA ILE A 80 4.623 -6.115 -5.073 1.00 0.00 C ATOM 1272 C ILE A 80 5.432 -5.095 -5.867 1.00 0.00 C ATOM 1273 O ILE A 80 6.663 -5.126 -5.865 1.00 0.00 O ATOM 1274 CB ILE A 80 3.976 -5.412 -3.865 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.019 -4.588 -3.108 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.328 -6.433 -2.943 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.417 -3.618 -2.115 1.00 0.00 C ATOM 0 H ILE A 80 6.317 -6.965 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 80 3.838 -6.526 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 80 3.201 -4.737 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.692 -5.264 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.623 -4.033 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.875 -5.921 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.559 -6.980 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.084 -7.131 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.214 -3.068 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.766 -2.918 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.837 -4.169 -1.375 1.00 0.00 H new ATOM 1289 N ASP A 81 4.733 -4.191 -6.543 1.00 0.00 N ATOM 1290 CA ASP A 81 5.386 -3.159 -7.340 1.00 0.00 C ATOM 1291 C ASP A 81 4.504 -1.918 -7.450 1.00 0.00 C ATOM 1292 O ASP A 81 3.451 -1.929 -8.088 1.00 0.00 O ATOM 1293 CB ASP A 81 5.713 -3.692 -8.736 1.00 0.00 C ATOM 1294 CG ASP A 81 6.871 -2.956 -9.380 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.811 -2.574 -8.651 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.839 -2.763 -10.613 1.00 0.00 O ATOM 0 H ASP A 81 3.714 -4.151 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 81 6.314 -2.881 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.953 -4.753 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.832 -3.603 -9.371 1.00 0.00 H new ATOM 1301 N PRO A 82 4.943 -0.822 -6.812 1.00 0.00 N ATOM 1302 CA PRO A 82 4.208 0.446 -6.823 1.00 0.00 C ATOM 1303 C PRO A 82 4.228 1.116 -8.192 1.00 0.00 C ATOM 1304 O PRO A 82 4.988 0.723 -9.077 1.00 0.00 O ATOM 1305 CB PRO A 82 4.961 1.300 -5.799 1.00 0.00 C ATOM 1306 CG PRO A 82 6.340 0.737 -5.777 1.00 0.00 C ATOM 1307 CD PRO A 82 6.189 -0.737 -6.033 1.00 0.00 C ATOM 0 HA PRO A 82 3.152 0.307 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.967 2.351 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.494 1.242 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.964 1.204 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.821 0.919 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.038 -1.138 -6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.121 -1.301 -5.103 1.00 0.00 H new ATOM 1315 N LYS A 83 3.387 2.131 -8.362 1.00 0.00 N ATOM 1316 CA LYS A 83 3.308 2.857 -9.623 1.00 0.00 C ATOM 1317 C LYS A 83 2.997 4.331 -9.384 1.00 0.00 C ATOM 1318 O LYS A 83 2.226 4.691 -8.494 1.00 0.00 O ATOM 1319 CB LYS A 83 2.237 2.240 -10.525 1.00 0.00 C ATOM 1320 CG LYS A 83 2.485 0.777 -10.850 1.00 0.00 C ATOM 1321 CD LYS A 83 3.454 0.619 -12.010 1.00 0.00 C ATOM 1322 CE LYS A 83 2.759 0.819 -13.348 1.00 0.00 C ATOM 1323 NZ LYS A 83 2.130 -0.438 -13.839 1.00 0.00 N ATOM 0 H LYS A 83 2.750 2.469 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 83 4.277 2.783 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.266 2.336 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.186 2.807 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.883 0.271 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.540 0.293 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.265 1.340 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.904 -0.373 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.997 1.592 -13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.481 1.175 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.667 -0.260 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.861 -1.169 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.423 -0.764 -13.150 1.00 0.00 H new ATOM 1337 N PRO A 84 3.609 5.206 -10.196 1.00 0.00 N ATOM 1338 CA PRO A 84 3.411 6.655 -10.093 1.00 0.00 C ATOM 1339 C PRO A 84 2.013 7.081 -10.526 1.00 0.00 C ATOM 1340 O PRO A 84 1.660 8.258 -10.447 1.00 0.00 O ATOM 1341 CB PRO A 84 4.464 7.225 -11.046 1.00 0.00 C ATOM 1342 CG PRO A 84 4.711 6.137 -12.033 1.00 0.00 C ATOM 1343 CD PRO A 84 4.541 4.847 -11.278 1.00 0.00 C ATOM 0 HA PRO A 84 3.510 7.008 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.106 8.130 -11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.377 7.491 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.009 6.198 -12.865 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.713 6.213 -12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.135 4.060 -11.913 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.491 4.482 -10.886 1.00 0.00 H new ATOM 1351 N CYS A 85 1.220 6.118 -10.983 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.140 6.394 -11.430 1.00 0.00 C ATOM 1353 C CYS A 85 -0.139 7.348 -12.620 1.00 0.00 C ATOM 1354 O CYS A 85 -1.038 8.177 -12.766 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.964 6.987 -10.286 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.368 5.807 -8.977 1.00 0.00 S ATOM 0 H CYS A 85 1.496 5.139 -11.054 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.591 5.453 -11.743 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.414 7.821 -9.851 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.890 7.393 -10.692 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.659 5.706 -8.867 1.00 0.00 H new ATOM 1362 N THR A 86 0.877 7.226 -13.468 1.00 0.00 N ATOM 1363 CA THR A 86 0.998 8.078 -14.644 1.00 0.00 C ATOM 1364 C THR A 86 1.059 7.248 -15.921 1.00 0.00 C ATOM 1365 O THR A 86 1.502 6.100 -15.923 1.00 0.00 O ATOM 1366 CB THR A 86 2.251 8.971 -14.565 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.410 8.167 -14.316 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.105 10.013 -13.466 1.00 0.00 C ATOM 0 H THR A 86 1.629 6.545 -13.362 1.00 0.00 H new ATOM 0 HA THR A 86 0.111 8.711 -14.668 1.00 0.00 H new ATOM 0 HB THR A 86 2.364 9.486 -15.519 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.203 8.741 -14.269 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.002 10.631 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.239 10.642 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.969 9.514 -12.507 1.00 0.00 H new ATOM 1376 N PRO A 87 0.604 7.841 -17.035 1.00 0.00 N ATOM 1377 CA PRO A 87 0.598 7.174 -18.340 1.00 0.00 C ATOM 1378 C PRO A 87 2.003 6.980 -18.899 1.00 0.00 C ATOM 1379 O PRO A 87 2.963 7.578 -18.412 1.00 0.00 O ATOM 1380 CB PRO A 87 -0.202 8.133 -19.225 1.00 0.00 C ATOM 1381 CG PRO A 87 -0.035 9.468 -18.584 1.00 0.00 C ATOM 1382 CD PRO A 87 0.062 9.208 -17.106 1.00 0.00 C ATOM 0 HA PRO A 87 0.175 6.171 -18.283 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.174 8.135 -20.248 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.252 7.845 -19.272 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.861 9.968 -18.952 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.880 10.119 -18.811 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.718 9.926 -16.614 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.911 9.280 -16.621 1.00 0.00 H new ATOM 1390 N ARG A 88 2.117 6.142 -19.924 1.00 0.00 N ATOM 1391 CA ARG A 88 3.406 5.870 -20.549 1.00 0.00 C ATOM 1392 C ARG A 88 4.190 7.162 -20.764 1.00 0.00 C ATOM 1393 O ARG A 88 3.608 8.231 -20.936 1.00 0.00 O ATOM 1394 CB ARG A 88 3.208 5.153 -21.885 1.00 0.00 C ATOM 1395 CG ARG A 88 4.410 4.329 -22.319 1.00 0.00 C ATOM 1396 CD ARG A 88 4.026 3.288 -23.358 1.00 0.00 C ATOM 1397 NE ARG A 88 5.181 2.827 -24.124 1.00 0.00 N ATOM 1398 CZ ARG A 88 5.731 3.520 -25.115 1.00 0.00 C ATOM 1399 NH1 ARG A 88 5.232 4.700 -25.458 1.00 0.00 N ATOM 1400 NH2 ARG A 88 6.780 3.034 -25.764 1.00 0.00 N ATOM 0 H ARG A 88 1.332 5.640 -20.339 1.00 0.00 H new ATOM 0 HA ARG A 88 3.977 5.226 -19.880 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.338 4.500 -21.812 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.988 5.892 -22.655 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.176 4.988 -22.728 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.846 3.835 -21.451 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.557 2.438 -22.863 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.285 3.710 -24.037 1.00 0.00 H new ATOM 0 HE ARG A 88 5.588 1.923 -23.885 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.425 5.076 -24.961 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.655 5.231 -26.219 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.166 2.127 -25.503 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.201 3.567 -26.525 1.00 0.00 H new ATOM 1414 N GLY A 89 5.515 7.053 -20.752 1.00 0.00 N ATOM 1415 CA GLY A 89 6.357 8.219 -20.946 1.00 0.00 C ATOM 1416 C GLY A 89 6.909 8.759 -19.641 1.00 0.00 C ATOM 1417 O GLY A 89 6.255 8.677 -18.602 1.00 0.00 O ATOM 0 H GLY A 89 6.020 6.178 -20.611 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.184 7.960 -21.607 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.782 9.000 -21.445 1.00 0.00 H new ATOM 1421 N MET A 90 8.116 9.313 -19.695 1.00 0.00 N ATOM 1422 CA MET A 90 8.755 9.868 -18.508 1.00 0.00 C ATOM 1423 C MET A 90 8.952 11.374 -18.651 1.00 0.00 C ATOM 1424 O MET A 90 9.579 11.838 -19.603 1.00 0.00 O ATOM 1425 CB MET A 90 10.102 9.186 -18.262 1.00 0.00 C ATOM 1426 CG MET A 90 10.804 9.664 -17.001 1.00 0.00 C ATOM 1427 SD MET A 90 12.427 8.910 -16.780 1.00 0.00 S ATOM 1428 CE MET A 90 12.030 7.574 -15.655 1.00 0.00 C ATOM 0 H MET A 90 8.671 9.389 -20.548 1.00 0.00 H new ATOM 0 HA MET A 90 8.102 9.684 -17.655 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.948 8.109 -18.196 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.752 9.363 -19.119 1.00 0.00 H new ATOM 0 HG2 MET A 90 10.914 10.748 -17.040 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.182 9.437 -16.135 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.935 7.013 -15.423 1.00 0.00 H new ATOM 0 HE2 MET A 90 11.612 7.984 -14.736 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.301 6.911 -16.121 1.00 0.00 H new ATOM 1438 N GLN A 91 8.414 12.130 -17.700 1.00 0.00 N ATOM 1439 CA GLN A 91 8.531 13.583 -17.722 1.00 0.00 C ATOM 1440 C GLN A 91 9.899 14.027 -17.214 1.00 0.00 C ATOM 1441 O GLN A 91 10.439 13.479 -16.252 1.00 0.00 O ATOM 1442 CB GLN A 91 7.428 14.217 -16.872 1.00 0.00 C ATOM 1443 CG GLN A 91 7.362 15.731 -16.994 1.00 0.00 C ATOM 1444 CD GLN A 91 6.387 16.353 -16.013 1.00 0.00 C ATOM 1445 OE1 GLN A 91 5.261 15.882 -15.857 1.00 0.00 O ATOM 1446 NE2 GLN A 91 6.817 17.418 -15.346 1.00 0.00 N ATOM 0 H GLN A 91 7.893 11.761 -16.905 1.00 0.00 H new ATOM 0 HA GLN A 91 8.422 13.916 -18.754 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.467 13.795 -17.165 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.588 13.951 -15.827 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.355 16.149 -16.828 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.070 15.998 -18.010 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.759 17.775 -15.507 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.205 17.879 -14.673 1.00 0.00 H new ATOM 1455 N PRO A 92 10.475 15.042 -17.874 1.00 0.00 N ATOM 1456 CA PRO A 92 11.787 15.582 -17.507 1.00 0.00 C ATOM 1457 C PRO A 92 11.755 16.334 -16.181 1.00 0.00 C ATOM 1458 O PRO A 92 10.762 16.981 -15.848 1.00 0.00 O ATOM 1459 CB PRO A 92 12.111 16.540 -18.656 1.00 0.00 C ATOM 1460 CG PRO A 92 10.784 16.938 -19.203 1.00 0.00 C ATOM 1461 CD PRO A 92 9.889 15.742 -19.029 1.00 0.00 C ATOM 0 HA PRO A 92 12.527 14.794 -17.369 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.670 17.407 -18.303 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.723 16.054 -19.416 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.387 17.803 -18.672 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.863 17.217 -20.254 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.857 16.037 -18.839 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.882 15.113 -19.919 1.00 0.00 H new ATOM 1469 N SER A 93 12.846 16.244 -15.427 1.00 0.00 N ATOM 1470 CA SER A 93 12.941 16.913 -14.135 1.00 0.00 C ATOM 1471 C SER A 93 14.397 17.189 -13.772 1.00 0.00 C ATOM 1472 O SER A 93 15.313 16.595 -14.338 1.00 0.00 O ATOM 1473 CB SER A 93 12.284 16.062 -13.047 1.00 0.00 C ATOM 1474 OG SER A 93 12.279 16.740 -11.803 1.00 0.00 O ATOM 0 H SER A 93 13.677 15.714 -15.689 1.00 0.00 H new ATOM 0 HA SER A 93 12.416 17.866 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.261 15.821 -13.337 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.818 15.117 -12.948 1.00 0.00 H new ATOM 0 HG SER A 93 11.852 16.176 -11.125 1.00 0.00 H new ATOM 1480 N GLY A 94 14.601 18.097 -12.822 1.00 0.00 N ATOM 1481 CA GLY A 94 15.947 18.437 -12.398 1.00 0.00 C ATOM 1482 C GLY A 94 16.132 18.310 -10.899 1.00 0.00 C ATOM 1483 O GLY A 94 15.287 17.762 -10.192 1.00 0.00 O ATOM 0 H GLY A 94 13.859 18.603 -12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 94 16.660 17.787 -12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 94 16.174 19.458 -12.704 1.00 0.00 H new ATOM 1487 N PRO A 95 17.264 18.823 -10.394 1.00 0.00 N ATOM 1488 CA PRO A 95 17.585 18.775 -8.964 1.00 0.00 C ATOM 1489 C PRO A 95 16.685 19.687 -8.137 1.00 0.00 C ATOM 1490 O PRO A 95 16.050 20.597 -8.669 1.00 0.00 O ATOM 1491 CB PRO A 95 19.035 19.261 -8.910 1.00 0.00 C ATOM 1492 CG PRO A 95 19.197 20.106 -10.126 1.00 0.00 C ATOM 1493 CD PRO A 95 18.316 19.490 -11.178 1.00 0.00 C ATOM 0 HA PRO A 95 17.440 17.779 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 95 19.227 19.833 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.733 18.424 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.905 21.137 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.237 20.127 -10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 95 17.901 20.244 -11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.865 18.782 -11.798 1.00 0.00 H new ATOM 1501 N SER A 96 16.637 19.438 -6.832 1.00 0.00 N ATOM 1502 CA SER A 96 15.812 20.235 -5.932 1.00 0.00 C ATOM 1503 C SER A 96 16.625 20.715 -4.733 1.00 0.00 C ATOM 1504 O SER A 96 17.086 19.913 -3.920 1.00 0.00 O ATOM 1505 CB SER A 96 14.608 19.422 -5.454 1.00 0.00 C ATOM 1506 OG SER A 96 13.612 19.346 -6.459 1.00 0.00 O ATOM 0 H SER A 96 17.160 18.691 -6.375 1.00 0.00 H new ATOM 0 HA SER A 96 15.457 21.107 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.930 18.417 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 96 14.190 19.879 -4.557 1.00 0.00 H new ATOM 0 HG SER A 96 12.854 18.820 -6.129 1.00 0.00 H new ATOM 1512 N SER A 97 16.796 22.029 -4.629 1.00 0.00 N ATOM 1513 CA SER A 97 17.556 22.616 -3.532 1.00 0.00 C ATOM 1514 C SER A 97 19.013 22.167 -3.578 1.00 0.00 C ATOM 1515 O SER A 97 19.610 21.850 -2.550 1.00 0.00 O ATOM 1516 CB SER A 97 16.934 22.231 -2.188 1.00 0.00 C ATOM 1517 OG SER A 97 17.394 23.079 -1.151 1.00 0.00 O ATOM 0 H SER A 97 16.419 22.707 -5.291 1.00 0.00 H new ATOM 0 HA SER A 97 17.525 23.700 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.848 22.291 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 97 17.182 21.196 -1.952 1.00 0.00 H new ATOM 0 HG SER A 97 18.373 23.054 -1.118 1.00 0.00 H new ATOM 1523 N GLY A 98 19.580 22.142 -4.780 1.00 0.00 N ATOM 1524 CA GLY A 98 20.963 21.730 -4.940 1.00 0.00 C ATOM 1525 C GLY A 98 21.933 22.682 -4.270 1.00 0.00 C ATOM 1526 O GLY A 98 23.148 22.510 -4.365 1.00 0.00 O ATOM 0 H GLY A 98 19.107 22.400 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 98 21.092 20.731 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.199 21.664 -6.002 1.00 0.00 H new TER 1530 GLY A 98