USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 HIS :FLIP no HD1:sc= -0.315 F(o=-7.2,f=-5.6) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -5.33! C(o=-5.6!,f=-7.6!) USER MOD Set 2.1: A 9 ASN : amide:sc= -2.17 K(o=-3.5,f=-9.2!) USER MOD Set 2.2: A 12 CYS SG : rot -17:sc= -1.3 USER MOD Set 3.1: A 1 MET CE :methyl -152:sc= -0.237 (180deg=-1.36!) USER MOD Set 3.2: A 4 GLN : amide:sc= 0 X(o=-0.24,f=-0.5) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.069 (180deg=-0.475) USER MOD Single : A 2 SER OG : rot -52:sc= 0.447 USER MOD Single : A 3 ASN : amide:sc= -4.5! C(o=-4.5!,f=-4.4!) USER MOD Single : A 5 THR OG1 : rot 12:sc= 0.484 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc=-0.000287 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.3 USER MOD Single : A 35 SER OG : rot -85:sc= 1.14 USER MOD Single : A 39 SER OG : rot 180:sc= 0.421 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc=-0.00612 (180deg=-0.266) USER MOD Single : A 43 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -2.3 (180deg=-4.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 47:sc= 0.337 USER MOD Single : A 61 ASN : amide:sc=-0.00585 X(o=-0.0059,f=-0.41) USER MOD Single : A 64 TYR OH : rot 165:sc= -2.09! USER MOD Single : A 72 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 8:sc=-0.00451 USER MOD Single : A 77 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-7.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.0701 (180deg=-0.656) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -7.43! (180deg=-9.52!) USER MOD Single : A 95 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 103 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.868 -2.789 29.990 1.00 0.00 N ATOM 2 CA MET A 1 -3.975 -2.178 28.634 1.00 0.00 C ATOM 3 C MET A 1 -5.452 -2.094 28.240 1.00 0.00 C ATOM 4 O MET A 1 -6.234 -1.402 28.862 1.00 0.00 O ATOM 5 CB MET A 1 -3.227 -3.051 27.620 1.00 0.00 C ATOM 6 CG MET A 1 -1.733 -3.091 27.960 1.00 0.00 C ATOM 7 SD MET A 1 -1.024 -1.430 27.821 1.00 0.00 S ATOM 8 CE MET A 1 -1.237 -1.230 26.034 1.00 0.00 C ATOM 0 H1 MET A 1 -2.933 -2.578 30.393 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.607 -2.396 30.607 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.990 -3.819 29.917 1.00 0.00 H new ATOM 0 HA MET A 1 -3.538 -1.180 28.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.636 -4.061 27.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.368 -2.656 26.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.591 -3.473 28.971 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.216 -3.774 27.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.471 -0.556 25.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.145 -2.200 25.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.223 -0.813 25.830 1.00 0.00 H new ATOM 20 N SER A 2 -5.837 -2.797 27.213 1.00 0.00 N ATOM 21 CA SER A 2 -7.259 -2.773 26.768 1.00 0.00 C ATOM 22 C SER A 2 -7.555 -4.057 25.994 1.00 0.00 C ATOM 23 O SER A 2 -8.249 -4.046 24.995 1.00 0.00 O ATOM 24 CB SER A 2 -7.489 -1.562 25.860 1.00 0.00 C ATOM 25 OG SER A 2 -8.877 -1.445 25.573 1.00 0.00 O ATOM 0 H SER A 2 -5.223 -3.393 26.658 1.00 0.00 H new ATOM 0 HA SER A 2 -7.918 -2.702 27.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.129 -0.655 26.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.923 -1.674 24.935 1.00 0.00 H new ATOM 0 HG SER A 2 -9.215 -2.302 25.238 1.00 0.00 H new ATOM 31 N ASN A 3 -7.017 -5.162 26.450 1.00 0.00 N ATOM 32 CA ASN A 3 -7.241 -6.471 25.759 1.00 0.00 C ATOM 33 C ASN A 3 -7.146 -6.280 24.243 1.00 0.00 C ATOM 34 O ASN A 3 -7.936 -6.813 23.485 1.00 0.00 O ATOM 35 CB ASN A 3 -8.619 -7.032 26.135 1.00 0.00 C ATOM 36 CG ASN A 3 -9.706 -6.001 25.834 1.00 0.00 C ATOM 37 OD1 ASN A 3 -9.975 -5.700 24.688 1.00 0.00 O ATOM 38 ND2 ASN A 3 -10.349 -5.440 26.823 1.00 0.00 N ATOM 0 H ASN A 3 -6.426 -5.213 27.280 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.475 -7.178 26.076 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.812 -7.948 25.577 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.638 -7.293 27.193 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.076 -4.750 26.633 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.124 -5.692 27.786 1.00 0.00 H new ATOM 45 N GLN A 4 -6.183 -5.518 23.798 1.00 0.00 N ATOM 46 CA GLN A 4 -6.022 -5.275 22.332 1.00 0.00 C ATOM 47 C GLN A 4 -5.784 -6.607 21.600 1.00 0.00 C ATOM 48 O GLN A 4 -6.626 -7.485 21.593 1.00 0.00 O ATOM 49 CB GLN A 4 -4.818 -4.354 22.112 1.00 0.00 C ATOM 50 CG GLN A 4 -5.123 -2.960 22.663 1.00 0.00 C ATOM 51 CD GLN A 4 -3.896 -2.066 22.474 1.00 0.00 C ATOM 52 OE1 GLN A 4 -3.321 -2.021 21.406 1.00 0.00 O ATOM 53 NE2 GLN A 4 -3.467 -1.348 23.476 1.00 0.00 N ATOM 0 H GLN A 4 -5.496 -5.050 24.389 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.927 -4.811 21.939 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.938 -4.766 22.607 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.586 -4.292 21.049 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.983 -2.532 22.147 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.383 -3.022 23.720 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.950 -1.385 24.374 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.649 -0.750 23.361 1.00 0.00 H new ATOM 62 N THR A 5 -4.636 -6.749 20.986 1.00 0.00 N ATOM 63 CA THR A 5 -4.302 -8.005 20.242 1.00 0.00 C ATOM 64 C THR A 5 -5.514 -8.520 19.466 1.00 0.00 C ATOM 65 O THR A 5 -6.472 -7.809 19.237 1.00 0.00 O ATOM 66 CB THR A 5 -3.836 -9.079 21.225 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.895 -9.395 22.116 1.00 0.00 O ATOM 68 CG2 THR A 5 -2.630 -8.563 22.011 1.00 0.00 C ATOM 0 H THR A 5 -3.905 -6.038 20.968 1.00 0.00 H new ATOM 0 HA THR A 5 -3.505 -7.780 19.533 1.00 0.00 H new ATOM 0 HB THR A 5 -3.548 -9.976 20.678 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.730 -9.003 21.784 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.298 -9.329 22.712 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.820 -8.327 21.321 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.911 -7.665 22.561 1.00 0.00 H new ATOM 76 N CYS A 6 -5.462 -9.756 19.053 1.00 0.00 N ATOM 77 CA CYS A 6 -6.589 -10.349 18.275 1.00 0.00 C ATOM 78 C CYS A 6 -7.720 -10.751 19.223 1.00 0.00 C ATOM 79 O CYS A 6 -7.495 -11.319 20.273 1.00 0.00 O ATOM 80 CB CYS A 6 -6.084 -11.581 17.521 1.00 0.00 C ATOM 81 SG CYS A 6 -7.398 -12.212 16.450 1.00 0.00 S ATOM 0 H CYS A 6 -4.679 -10.388 19.222 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.968 -9.614 17.565 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.208 -11.323 16.926 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.774 -12.351 18.227 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.969 -13.257 15.807 1.00 0.00 H new ATOM 87 N VAL A 7 -8.938 -10.461 18.859 1.00 0.00 N ATOM 88 CA VAL A 7 -10.091 -10.822 19.736 1.00 0.00 C ATOM 89 C VAL A 7 -10.424 -12.305 19.565 1.00 0.00 C ATOM 90 O VAL A 7 -10.509 -12.811 18.463 1.00 0.00 O ATOM 91 CB VAL A 7 -11.298 -9.970 19.349 1.00 0.00 C ATOM 92 CG1 VAL A 7 -10.934 -8.490 19.492 1.00 0.00 C ATOM 93 CG2 VAL A 7 -11.687 -10.260 17.895 1.00 0.00 C ATOM 0 H VAL A 7 -9.187 -9.988 17.990 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.833 -10.636 20.779 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.138 -10.208 20.002 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.792 -7.876 19.217 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.655 -8.282 20.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.096 -8.256 18.836 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.548 -9.651 17.620 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.850 -10.020 17.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.940 -11.315 17.790 1.00 0.00 H new ATOM 103 N GLU A 8 -10.611 -13.008 20.649 1.00 0.00 N ATOM 104 CA GLU A 8 -10.935 -14.461 20.555 1.00 0.00 C ATOM 105 C GLU A 8 -12.316 -14.637 19.921 1.00 0.00 C ATOM 106 O GLU A 8 -13.284 -14.038 20.344 1.00 0.00 O ATOM 107 CB GLU A 8 -10.931 -15.071 21.959 1.00 0.00 C ATOM 108 CG GLU A 8 -11.219 -16.570 21.873 1.00 0.00 C ATOM 109 CD GLU A 8 -11.118 -17.182 23.270 1.00 0.00 C ATOM 110 OE1 GLU A 8 -10.581 -16.523 24.145 1.00 0.00 O ATOM 111 OE2 GLU A 8 -11.579 -18.298 23.443 1.00 0.00 O ATOM 0 H GLU A 8 -10.553 -12.638 21.598 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.190 -14.963 19.938 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.965 -14.904 22.435 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.682 -14.582 22.580 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.214 -16.738 21.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.509 -17.051 21.200 1.00 0.00 H new ATOM 118 N ASN A 9 -12.416 -15.457 18.908 1.00 0.00 N ATOM 119 CA ASN A 9 -13.735 -15.674 18.240 1.00 0.00 C ATOM 120 C ASN A 9 -14.443 -16.880 18.861 1.00 0.00 C ATOM 121 O ASN A 9 -13.951 -17.990 18.825 1.00 0.00 O ATOM 122 CB ASN A 9 -13.515 -15.927 16.746 1.00 0.00 C ATOM 123 CG ASN A 9 -12.679 -17.194 16.553 1.00 0.00 C ATOM 124 OD1 ASN A 9 -11.993 -17.628 17.458 1.00 0.00 O ATOM 125 ND2 ASN A 9 -12.709 -17.809 15.403 1.00 0.00 N ATOM 0 H ASN A 9 -11.640 -15.988 18.513 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.354 -14.787 18.375 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.475 -16.033 16.240 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.009 -15.074 16.294 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.157 -18.655 15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.285 -17.444 14.644 1.00 0.00 H new ATOM 132 N GLU A 10 -15.604 -16.670 19.423 1.00 0.00 N ATOM 133 CA GLU A 10 -16.365 -17.800 20.041 1.00 0.00 C ATOM 134 C GLU A 10 -17.418 -18.291 19.049 1.00 0.00 C ATOM 135 O GLU A 10 -17.892 -19.407 19.132 1.00 0.00 O ATOM 136 CB GLU A 10 -17.063 -17.308 21.313 1.00 0.00 C ATOM 137 CG GLU A 10 -17.804 -18.471 21.981 1.00 0.00 C ATOM 138 CD GLU A 10 -18.450 -17.982 23.278 1.00 0.00 C ATOM 139 OE1 GLU A 10 -18.499 -16.779 23.473 1.00 0.00 O ATOM 140 OE2 GLU A 10 -18.883 -18.818 24.053 1.00 0.00 O ATOM 0 H GLU A 10 -16.062 -15.760 19.482 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.681 -18.611 20.291 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.330 -16.888 22.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.764 -16.510 21.069 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.566 -18.866 21.309 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.111 -19.286 22.191 1.00 0.00 H new ATOM 147 N VAL A 11 -17.783 -17.458 18.108 1.00 0.00 N ATOM 148 CA VAL A 11 -18.810 -17.848 17.089 1.00 0.00 C ATOM 149 C VAL A 11 -18.148 -17.963 15.719 1.00 0.00 C ATOM 150 O VAL A 11 -17.449 -17.074 15.276 1.00 0.00 O ATOM 151 CB VAL A 11 -19.908 -16.780 17.037 1.00 0.00 C ATOM 152 CG1 VAL A 11 -20.676 -16.785 18.358 1.00 0.00 C ATOM 153 CG2 VAL A 11 -19.285 -15.394 16.815 1.00 0.00 C ATOM 0 H VAL A 11 -17.411 -16.515 17.999 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.248 -18.808 17.363 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.586 -17.001 16.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.459 -16.027 18.327 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.126 -17.765 18.513 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.992 -16.566 19.178 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.073 -14.642 16.780 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.603 -15.166 17.634 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.736 -15.389 15.873 1.00 0.00 H new ATOM 163 N CYS A 12 -18.364 -19.055 15.042 1.00 0.00 N ATOM 164 CA CYS A 12 -17.752 -19.244 13.692 1.00 0.00 C ATOM 165 C CYS A 12 -18.723 -20.022 12.807 1.00 0.00 C ATOM 166 O CYS A 12 -18.883 -21.219 12.941 1.00 0.00 O ATOM 167 CB CYS A 12 -16.447 -20.028 13.833 1.00 0.00 C ATOM 168 SG CYS A 12 -15.391 -19.227 15.067 1.00 0.00 S ATOM 0 H CYS A 12 -18.941 -19.831 15.365 1.00 0.00 H new ATOM 0 HA CYS A 12 -17.544 -18.274 13.241 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -16.658 -21.055 14.131 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.932 -20.074 12.873 1.00 0.00 H new ATOM 0 HG CYS A 12 -15.809 -18.014 15.274 1.00 0.00 H new ATOM 174 N GLU A 13 -19.372 -19.351 11.901 1.00 0.00 N ATOM 175 CA GLU A 13 -20.335 -20.046 11.001 1.00 0.00 C ATOM 176 C GLU A 13 -19.564 -20.685 9.844 1.00 0.00 C ATOM 177 O GLU A 13 -20.130 -21.350 8.998 1.00 0.00 O ATOM 178 CB GLU A 13 -21.344 -19.030 10.462 1.00 0.00 C ATOM 179 CG GLU A 13 -22.234 -18.544 11.609 1.00 0.00 C ATOM 180 CD GLU A 13 -23.181 -17.456 11.098 1.00 0.00 C ATOM 181 OE1 GLU A 13 -23.120 -17.151 9.919 1.00 0.00 O ATOM 182 OE2 GLU A 13 -23.951 -16.944 11.895 1.00 0.00 O ATOM 0 H GLU A 13 -19.278 -18.348 11.743 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.869 -20.822 11.550 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -20.822 -18.187 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -21.953 -19.485 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -22.807 -19.377 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -21.619 -18.154 12.420 1.00 0.00 H new ATOM 189 N ALA A 14 -18.273 -20.484 9.806 1.00 0.00 N ATOM 190 CA ALA A 14 -17.454 -21.073 8.709 1.00 0.00 C ATOM 191 C ALA A 14 -18.010 -20.610 7.361 1.00 0.00 C ATOM 192 O ALA A 14 -18.060 -21.362 6.407 1.00 0.00 O ATOM 193 CB ALA A 14 -17.509 -22.601 8.786 1.00 0.00 C ATOM 0 H ALA A 14 -17.751 -19.936 10.489 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.419 -20.746 8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.909 -23.028 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.115 -22.931 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.542 -22.934 8.683 1.00 0.00 H new ATOM 199 N CYS A 15 -18.432 -19.377 7.280 1.00 0.00 N ATOM 200 CA CYS A 15 -18.992 -18.852 5.999 1.00 0.00 C ATOM 201 C CYS A 15 -17.851 -18.363 5.097 1.00 0.00 C ATOM 202 O CYS A 15 -16.978 -17.636 5.524 1.00 0.00 O ATOM 203 CB CYS A 15 -19.937 -17.686 6.310 1.00 0.00 C ATOM 204 SG CYS A 15 -20.310 -16.774 4.791 1.00 0.00 S ATOM 0 H CYS A 15 -18.413 -18.707 8.049 1.00 0.00 H new ATOM 0 HA CYS A 15 -19.538 -19.643 5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -20.859 -18.062 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -19.479 -17.020 7.041 1.00 0.00 H new ATOM 0 HG CYS A 15 -21.113 -15.789 5.063 1.00 0.00 H new ATOM 210 N GLY A 16 -17.859 -18.754 3.851 1.00 0.00 N ATOM 211 CA GLY A 16 -16.782 -18.309 2.914 1.00 0.00 C ATOM 212 C GLY A 16 -17.058 -18.883 1.517 1.00 0.00 C ATOM 213 O GLY A 16 -17.947 -18.440 0.816 1.00 0.00 O ATOM 0 H GLY A 16 -18.565 -19.364 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.747 -17.220 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.809 -18.646 3.273 1.00 0.00 H new ATOM 217 N CYS A 17 -16.310 -19.878 1.118 1.00 0.00 N ATOM 218 CA CYS A 17 -16.525 -20.507 -0.224 1.00 0.00 C ATOM 219 C CYS A 17 -16.562 -19.443 -1.326 1.00 0.00 C ATOM 220 O CYS A 17 -16.355 -18.268 -1.087 1.00 0.00 O ATOM 221 CB CYS A 17 -17.845 -21.277 -0.220 1.00 0.00 C ATOM 222 SG CYS A 17 -17.851 -22.458 -1.591 1.00 0.00 S ATOM 0 H CYS A 17 -15.553 -20.287 1.667 1.00 0.00 H new ATOM 0 HA CYS A 17 -15.697 -21.187 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -17.971 -21.801 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -18.683 -20.586 -0.316 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.971 -23.118 -1.591 1.00 0.00 H new ATOM 228 N ALA A 18 -16.821 -19.861 -2.542 1.00 0.00 N ATOM 229 CA ALA A 18 -16.873 -18.904 -3.689 1.00 0.00 C ATOM 230 C ALA A 18 -15.689 -17.937 -3.596 1.00 0.00 C ATOM 231 O ALA A 18 -15.859 -16.737 -3.499 1.00 0.00 O ATOM 232 CB ALA A 18 -18.191 -18.121 -3.650 1.00 0.00 C ATOM 0 H ALA A 18 -17.000 -20.834 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.816 -19.456 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.225 -17.424 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -19.029 -18.815 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.257 -17.566 -2.714 1.00 0.00 H new ATOM 238 N GLY A 19 -14.490 -18.456 -3.622 1.00 0.00 N ATOM 239 CA GLY A 19 -13.285 -17.580 -3.528 1.00 0.00 C ATOM 240 C GLY A 19 -13.188 -16.700 -4.776 1.00 0.00 C ATOM 241 O GLY A 19 -13.574 -17.093 -5.859 1.00 0.00 O ATOM 0 H GLY A 19 -14.292 -19.453 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.345 -16.957 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.387 -18.190 -3.431 1.00 0.00 H new ATOM 245 N GLU A 20 -12.678 -15.510 -4.628 1.00 0.00 N ATOM 246 CA GLU A 20 -12.555 -14.586 -5.795 1.00 0.00 C ATOM 247 C GLU A 20 -11.534 -15.137 -6.795 1.00 0.00 C ATOM 248 O GLU A 20 -10.512 -15.682 -6.423 1.00 0.00 O ATOM 249 CB GLU A 20 -12.090 -13.214 -5.296 1.00 0.00 C ATOM 250 CG GLU A 20 -12.094 -12.204 -6.449 1.00 0.00 C ATOM 251 CD GLU A 20 -13.536 -11.909 -6.864 1.00 0.00 C ATOM 252 OE1 GLU A 20 -14.436 -12.342 -6.164 1.00 0.00 O ATOM 253 OE2 GLU A 20 -13.715 -11.247 -7.873 1.00 0.00 O ATOM 0 H GLU A 20 -12.338 -15.133 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.522 -14.496 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.746 -12.868 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.088 -13.292 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.597 -11.284 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.535 -12.601 -7.296 1.00 0.00 H new ATOM 260 N ILE A 21 -11.806 -14.991 -8.063 1.00 0.00 N ATOM 261 CA ILE A 21 -10.861 -15.488 -9.104 1.00 0.00 C ATOM 262 C ILE A 21 -9.540 -14.718 -9.011 1.00 0.00 C ATOM 263 O ILE A 21 -8.470 -15.288 -9.094 1.00 0.00 O ATOM 264 CB ILE A 21 -11.481 -15.269 -10.487 1.00 0.00 C ATOM 265 CG1 ILE A 21 -12.704 -16.177 -10.644 1.00 0.00 C ATOM 266 CG2 ILE A 21 -10.455 -15.596 -11.578 1.00 0.00 C ATOM 267 CD1 ILE A 21 -13.482 -15.787 -11.904 1.00 0.00 C ATOM 0 H ILE A 21 -12.649 -14.545 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.670 -16.550 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.784 -14.226 -10.585 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.389 -17.219 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.347 -16.091 -9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.904 -15.438 -12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.587 -14.947 -11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.144 -16.637 -11.485 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.351 -16.436 -12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.811 -14.751 -11.822 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.839 -15.896 -12.777 1.00 0.00 H new ATOM 279 N GLY A 22 -9.608 -13.421 -8.855 1.00 0.00 N ATOM 280 CA GLY A 22 -8.357 -12.606 -8.772 1.00 0.00 C ATOM 281 C GLY A 22 -7.874 -12.527 -7.323 1.00 0.00 C ATOM 282 O GLY A 22 -8.354 -11.734 -6.540 1.00 0.00 O ATOM 0 H GLY A 22 -10.476 -12.890 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.583 -13.050 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.541 -11.603 -9.157 1.00 0.00 H new ATOM 286 N PHE A 23 -6.915 -13.335 -6.967 1.00 0.00 N ATOM 287 CA PHE A 23 -6.381 -13.303 -5.574 1.00 0.00 C ATOM 288 C PHE A 23 -5.169 -14.233 -5.488 1.00 0.00 C ATOM 289 O PHE A 23 -4.188 -13.940 -4.832 1.00 0.00 O ATOM 290 CB PHE A 23 -7.455 -13.770 -4.592 1.00 0.00 C ATOM 291 CG PHE A 23 -6.884 -13.778 -3.194 1.00 0.00 C ATOM 292 CD1 PHE A 23 -6.701 -12.572 -2.508 1.00 0.00 C ATOM 293 CD2 PHE A 23 -6.534 -14.990 -2.585 1.00 0.00 C ATOM 294 CE1 PHE A 23 -6.167 -12.576 -1.213 1.00 0.00 C ATOM 295 CE2 PHE A 23 -6.000 -14.995 -1.292 1.00 0.00 C ATOM 296 CZ PHE A 23 -5.816 -13.789 -0.606 1.00 0.00 C ATOM 0 H PHE A 23 -6.475 -14.019 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.089 -12.285 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.320 -13.109 -4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.801 -14.768 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.972 -11.638 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.676 -15.921 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.026 -11.645 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.730 -15.930 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.403 -13.793 0.392 1.00 0.00 H new ATOM 306 N ILE A 24 -5.233 -15.348 -6.158 1.00 0.00 N ATOM 307 CA ILE A 24 -4.091 -16.303 -6.134 1.00 0.00 C ATOM 308 C ILE A 24 -2.906 -15.701 -6.894 1.00 0.00 C ATOM 309 O ILE A 24 -1.762 -15.870 -6.515 1.00 0.00 O ATOM 310 CB ILE A 24 -4.520 -17.620 -6.791 1.00 0.00 C ATOM 311 CG1 ILE A 24 -3.431 -18.677 -6.580 1.00 0.00 C ATOM 312 CG2 ILE A 24 -4.747 -17.407 -8.289 1.00 0.00 C ATOM 313 CD1 ILE A 24 -3.959 -20.047 -7.012 1.00 0.00 C ATOM 0 H ILE A 24 -6.030 -15.641 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.792 -16.495 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.450 -17.961 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.543 -18.419 -7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.134 -18.704 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.051 -18.347 -8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.528 -16.662 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.823 -17.060 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.185 -20.799 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.835 -20.304 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.234 -20.015 -8.066 1.00 0.00 H new ATOM 325 N ILE A 25 -3.169 -15.011 -7.974 1.00 0.00 N ATOM 326 CA ILE A 25 -2.062 -14.406 -8.776 1.00 0.00 C ATOM 327 C ILE A 25 -0.987 -15.473 -9.037 1.00 0.00 C ATOM 328 O ILE A 25 0.094 -15.183 -9.509 1.00 0.00 O ATOM 329 CB ILE A 25 -1.451 -13.215 -8.015 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.533 -12.143 -7.818 1.00 0.00 C ATOM 331 CG2 ILE A 25 -0.277 -12.617 -8.823 1.00 0.00 C ATOM 332 CD1 ILE A 25 -2.030 -11.074 -6.842 1.00 0.00 C ATOM 0 H ILE A 25 -4.107 -14.840 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.455 -14.046 -9.727 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.079 -13.554 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.784 -11.686 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.445 -12.600 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.149 -11.775 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.489 -13.379 -8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.639 -12.275 -9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.800 -10.315 -6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.801 -11.537 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.130 -10.609 -7.244 1.00 0.00 H new ATOM 344 N ARG A 26 -1.289 -16.712 -8.745 1.00 0.00 N ATOM 345 CA ARG A 26 -0.305 -17.809 -8.980 1.00 0.00 C ATOM 346 C ARG A 26 1.046 -17.442 -8.350 1.00 0.00 C ATOM 347 O ARG A 26 2.082 -17.946 -8.745 1.00 0.00 O ATOM 348 CB ARG A 26 -0.145 -18.031 -10.489 1.00 0.00 C ATOM 349 CG ARG A 26 -1.443 -18.627 -11.051 1.00 0.00 C ATOM 350 CD ARG A 26 -1.322 -18.829 -12.565 1.00 0.00 C ATOM 351 NE ARG A 26 -2.590 -19.420 -13.089 1.00 0.00 N ATOM 352 CZ ARG A 26 -2.724 -19.650 -14.367 1.00 0.00 C ATOM 353 NH1 ARG A 26 -1.753 -19.359 -15.187 1.00 0.00 N ATOM 354 NH2 ARG A 26 -3.833 -20.168 -14.827 1.00 0.00 N ATOM 0 H ARG A 26 -2.181 -17.012 -8.351 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.665 -18.729 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.081 -17.087 -10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.692 -18.702 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.654 -19.580 -10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.281 -17.965 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.122 -17.876 -13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.482 -19.486 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.351 -19.644 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.889 -18.952 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.858 -19.539 -16.186 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.595 -20.393 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.936 -20.347 -15.826 1.00 0.00 H new ATOM 368 N GLU A 27 1.038 -16.577 -7.366 1.00 0.00 N ATOM 369 CA GLU A 27 2.314 -16.177 -6.696 1.00 0.00 C ATOM 370 C GLU A 27 3.319 -15.690 -7.744 1.00 0.00 C ATOM 371 O GLU A 27 4.279 -16.365 -8.066 1.00 0.00 O ATOM 372 CB GLU A 27 2.883 -17.375 -5.927 1.00 0.00 C ATOM 373 CG GLU A 27 1.963 -17.687 -4.742 1.00 0.00 C ATOM 374 CD GLU A 27 2.478 -18.917 -3.991 1.00 0.00 C ATOM 375 OE1 GLU A 27 3.511 -19.436 -4.378 1.00 0.00 O ATOM 376 OE2 GLU A 27 1.829 -19.318 -3.037 1.00 0.00 O ATOM 0 H GLU A 27 0.199 -16.129 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 27 2.120 -15.365 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.960 -18.242 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.890 -17.152 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.920 -16.831 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.948 -17.865 -5.096 1.00 0.00 H new ATOM 383 N GLY A 28 3.097 -14.517 -8.276 1.00 0.00 N ATOM 384 CA GLY A 28 4.017 -13.957 -9.312 1.00 0.00 C ATOM 385 C GLY A 28 5.455 -13.922 -8.788 1.00 0.00 C ATOM 386 O GLY A 28 5.732 -14.298 -7.667 1.00 0.00 O ATOM 0 H GLY A 28 2.309 -13.916 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.968 -14.563 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.698 -12.951 -9.585 1.00 0.00 H new ATOM 390 N ASP A 29 6.373 -13.482 -9.607 1.00 0.00 N ATOM 391 CA ASP A 29 7.805 -13.427 -9.185 1.00 0.00 C ATOM 392 C ASP A 29 7.996 -12.398 -8.068 1.00 0.00 C ATOM 393 O ASP A 29 7.763 -11.220 -8.249 1.00 0.00 O ATOM 394 CB ASP A 29 8.663 -13.036 -10.393 1.00 0.00 C ATOM 395 CG ASP A 29 8.727 -14.213 -11.368 1.00 0.00 C ATOM 396 OD1 ASP A 29 8.274 -15.284 -11.001 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.230 -14.023 -12.464 1.00 0.00 O ATOM 0 H ASP A 29 6.192 -13.156 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 29 8.106 -14.405 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.239 -12.162 -10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.667 -12.763 -10.068 1.00 0.00 H new ATOM 402 N ASP A 30 8.435 -12.844 -6.920 1.00 0.00 N ATOM 403 CA ASP A 30 8.662 -11.910 -5.778 1.00 0.00 C ATOM 404 C ASP A 30 7.420 -11.049 -5.543 1.00 0.00 C ATOM 405 O ASP A 30 7.148 -10.111 -6.270 1.00 0.00 O ATOM 406 CB ASP A 30 9.864 -11.010 -6.077 1.00 0.00 C ATOM 407 CG ASP A 30 11.153 -11.829 -5.967 1.00 0.00 C ATOM 408 OD1 ASP A 30 11.089 -12.941 -5.469 1.00 0.00 O ATOM 409 OD2 ASP A 30 12.186 -11.329 -6.380 1.00 0.00 O ATOM 0 H ASP A 30 8.647 -13.822 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 30 8.861 -12.495 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.774 -10.585 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.890 -10.175 -5.377 1.00 0.00 H new ATOM 414 N VAL A 31 6.671 -11.362 -4.518 1.00 0.00 N ATOM 415 CA VAL A 31 5.438 -10.578 -4.192 1.00 0.00 C ATOM 416 C VAL A 31 5.495 -10.163 -2.722 1.00 0.00 C ATOM 417 O VAL A 31 5.902 -10.926 -1.871 1.00 0.00 O ATOM 418 CB VAL A 31 4.197 -11.440 -4.452 1.00 0.00 C ATOM 419 CG1 VAL A 31 4.072 -12.527 -3.377 1.00 0.00 C ATOM 420 CG2 VAL A 31 2.950 -10.552 -4.420 1.00 0.00 C ATOM 0 H VAL A 31 6.862 -12.137 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 31 5.382 -9.688 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 31 4.292 -11.915 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.187 -13.132 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.958 -13.162 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.982 -12.060 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.065 -11.161 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.866 -10.077 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.030 -9.785 -5.190 1.00 0.00 H new ATOM 430 N ALA A 32 5.097 -8.954 -2.425 1.00 0.00 N ATOM 431 CA ALA A 32 5.129 -8.460 -1.011 1.00 0.00 C ATOM 432 C ALA A 32 3.701 -8.203 -0.532 1.00 0.00 C ATOM 433 O ALA A 32 2.811 -7.942 -1.316 1.00 0.00 O ATOM 434 CB ALA A 32 5.926 -7.158 -0.955 1.00 0.00 C ATOM 0 H ALA A 32 4.748 -8.280 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 32 5.598 -9.206 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.954 -6.792 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.943 -7.339 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.451 -6.413 -1.593 1.00 0.00 H new ATOM 440 N GLU A 33 3.480 -8.287 0.748 1.00 0.00 N ATOM 441 CA GLU A 33 2.112 -8.064 1.307 1.00 0.00 C ATOM 442 C GLU A 33 2.042 -6.673 1.937 1.00 0.00 C ATOM 443 O GLU A 33 3.004 -6.185 2.497 1.00 0.00 O ATOM 444 CB GLU A 33 1.831 -9.122 2.376 1.00 0.00 C ATOM 445 CG GLU A 33 1.809 -10.520 1.736 1.00 0.00 C ATOM 446 CD GLU A 33 3.241 -11.047 1.575 1.00 0.00 C ATOM 447 OE1 GLU A 33 4.165 -10.299 1.850 1.00 0.00 O ATOM 448 OE2 GLU A 33 3.388 -12.188 1.170 1.00 0.00 O ATOM 0 H GLU A 33 4.195 -8.503 1.442 1.00 0.00 H new ATOM 0 HA GLU A 33 1.371 -8.139 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.596 -9.080 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.875 -8.919 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.229 -11.204 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.318 -10.476 0.764 1.00 0.00 H new ATOM 455 N VAL A 34 0.907 -6.034 1.849 1.00 0.00 N ATOM 456 CA VAL A 34 0.741 -4.667 2.438 1.00 0.00 C ATOM 457 C VAL A 34 -0.468 -4.675 3.370 1.00 0.00 C ATOM 458 O VAL A 34 -1.521 -5.177 3.034 1.00 0.00 O ATOM 459 CB VAL A 34 0.518 -3.655 1.309 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.053 -2.319 1.895 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.836 -3.449 0.561 1.00 0.00 C ATOM 0 H VAL A 34 0.075 -6.403 1.389 1.00 0.00 H new ATOM 0 HA VAL A 34 1.633 -4.389 2.999 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.244 -4.031 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.104 -1.603 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.881 -2.465 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.813 -1.937 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.688 -2.730 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.591 -3.071 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.170 -4.399 0.143 1.00 0.00 H new ATOM 471 N SER A 35 -0.320 -4.118 4.541 1.00 0.00 N ATOM 472 CA SER A 35 -1.450 -4.073 5.519 1.00 0.00 C ATOM 473 C SER A 35 -1.607 -2.640 6.027 1.00 0.00 C ATOM 474 O SER A 35 -0.649 -2.005 6.419 1.00 0.00 O ATOM 475 CB SER A 35 -1.136 -4.995 6.698 1.00 0.00 C ATOM 476 OG SER A 35 -2.178 -4.899 7.659 1.00 0.00 O ATOM 0 H SER A 35 0.545 -3.687 4.867 1.00 0.00 H new ATOM 0 HA SER A 35 -2.371 -4.400 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.037 -6.024 6.353 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.183 -4.717 7.149 1.00 0.00 H new ATOM 0 HG SER A 35 -2.008 -4.136 8.250 1.00 0.00 H new ATOM 482 N LEU A 36 -2.811 -2.127 6.025 1.00 0.00 N ATOM 483 CA LEU A 36 -3.052 -0.730 6.513 1.00 0.00 C ATOM 484 C LEU A 36 -4.136 -0.760 7.589 1.00 0.00 C ATOM 485 O LEU A 36 -5.180 -1.364 7.420 1.00 0.00 O ATOM 486 CB LEU A 36 -3.510 0.154 5.348 1.00 0.00 C ATOM 487 CG LEU A 36 -3.630 1.614 5.808 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.252 2.167 6.226 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.198 2.449 4.659 1.00 0.00 C ATOM 0 H LEU A 36 -3.646 -2.618 5.704 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.130 -0.323 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.799 0.081 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.471 -0.197 4.971 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.294 1.665 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.358 3.203 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.854 1.570 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.568 2.119 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.288 3.489 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.531 2.387 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.181 2.067 4.383 1.00 0.00 H new ATOM 501 N PHE A 37 -3.886 -0.117 8.697 1.00 0.00 N ATOM 502 CA PHE A 37 -4.877 -0.090 9.819 1.00 0.00 C ATOM 503 C PHE A 37 -5.357 1.344 10.034 1.00 0.00 C ATOM 504 O PHE A 37 -4.610 2.289 9.878 1.00 0.00 O ATOM 505 CB PHE A 37 -4.190 -0.587 11.091 1.00 0.00 C ATOM 506 CG PHE A 37 -3.883 -2.052 10.939 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.842 -3.004 11.298 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.643 -2.462 10.435 1.00 0.00 C ATOM 509 CE1 PHE A 37 -4.565 -4.366 11.153 1.00 0.00 C ATOM 510 CE2 PHE A 37 -2.365 -3.826 10.287 1.00 0.00 C ATOM 511 CZ PHE A 37 -3.326 -4.779 10.648 1.00 0.00 C ATOM 0 H PHE A 37 -3.025 0.399 8.878 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.729 -0.727 9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.272 -0.026 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.834 -0.425 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.798 -2.686 11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.901 -1.726 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.307 -5.100 11.431 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.410 -4.143 9.895 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.111 -5.832 10.537 1.00 0.00 H new ATOM 521 N GLY A 38 -6.598 1.517 10.391 1.00 0.00 N ATOM 522 CA GLY A 38 -7.117 2.896 10.616 1.00 0.00 C ATOM 523 C GLY A 38 -8.542 2.824 11.165 1.00 0.00 C ATOM 524 O GLY A 38 -9.112 1.762 11.321 1.00 0.00 O ATOM 0 H GLY A 38 -7.274 0.767 10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.473 3.428 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.104 3.457 9.682 1.00 0.00 H new ATOM 528 N SER A 39 -9.116 3.950 11.473 1.00 0.00 N ATOM 529 CA SER A 39 -10.497 3.964 12.029 1.00 0.00 C ATOM 530 C SER A 39 -11.491 3.364 11.030 1.00 0.00 C ATOM 531 O SER A 39 -11.643 2.163 10.931 1.00 0.00 O ATOM 532 CB SER A 39 -10.898 5.405 12.325 1.00 0.00 C ATOM 533 OG SER A 39 -10.695 6.187 11.156 1.00 0.00 O ATOM 0 H SER A 39 -8.686 4.868 11.363 1.00 0.00 H new ATOM 0 HA SER A 39 -10.514 3.367 12.941 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.943 5.450 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.305 5.800 13.150 1.00 0.00 H new ATOM 0 HG SER A 39 -10.952 7.116 11.335 1.00 0.00 H new ATOM 539 N ASP A 40 -12.185 4.202 10.305 1.00 0.00 N ATOM 540 CA ASP A 40 -13.198 3.704 9.327 1.00 0.00 C ATOM 541 C ASP A 40 -12.521 3.169 8.063 1.00 0.00 C ATOM 542 O ASP A 40 -11.432 3.573 7.701 1.00 0.00 O ATOM 543 CB ASP A 40 -14.132 4.852 8.948 1.00 0.00 C ATOM 544 CG ASP A 40 -15.271 4.316 8.083 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.456 3.111 8.064 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.939 5.119 7.454 1.00 0.00 O ATOM 0 H ASP A 40 -12.093 5.217 10.349 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.760 2.893 9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.533 5.321 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.580 5.620 8.407 1.00 0.00 H new ATOM 551 N LYS A 41 -13.171 2.255 7.391 1.00 0.00 N ATOM 552 CA LYS A 41 -12.596 1.670 6.146 1.00 0.00 C ATOM 553 C LYS A 41 -12.482 2.749 5.065 1.00 0.00 C ATOM 554 O LYS A 41 -11.559 2.752 4.272 1.00 0.00 O ATOM 555 CB LYS A 41 -13.511 0.549 5.653 1.00 0.00 C ATOM 556 CG LYS A 41 -12.848 -0.198 4.495 1.00 0.00 C ATOM 557 CD LYS A 41 -13.723 -1.392 4.108 1.00 0.00 C ATOM 558 CE LYS A 41 -13.037 -2.191 2.999 1.00 0.00 C ATOM 559 NZ LYS A 41 -12.985 -1.370 1.755 1.00 0.00 N ATOM 0 H LYS A 41 -14.085 1.886 7.655 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.603 1.273 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.724 -0.143 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.466 0.964 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.720 0.468 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.854 -0.538 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.893 -2.028 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.700 -1.046 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.029 -2.469 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.581 -3.117 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.759 -1.981 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.908 -0.916 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.252 -0.639 1.852 1.00 0.00 H new ATOM 573 N ALA A 42 -13.418 3.656 5.018 1.00 0.00 N ATOM 574 CA ALA A 42 -13.371 4.726 3.979 1.00 0.00 C ATOM 575 C ALA A 42 -12.039 5.469 4.072 1.00 0.00 C ATOM 576 O ALA A 42 -11.437 5.817 3.074 1.00 0.00 O ATOM 577 CB ALA A 42 -14.521 5.707 4.216 1.00 0.00 C ATOM 0 H ALA A 42 -14.214 3.704 5.654 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.467 4.281 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.492 6.491 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.471 5.176 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.421 6.153 5.205 1.00 0.00 H new ATOM 583 N HIS A 43 -11.571 5.710 5.263 1.00 0.00 N ATOM 584 CA HIS A 43 -10.277 6.427 5.431 1.00 0.00 C ATOM 585 C HIS A 43 -9.156 5.588 4.817 1.00 0.00 C ATOM 586 O HIS A 43 -8.235 6.102 4.209 1.00 0.00 O ATOM 587 CB HIS A 43 -10.015 6.638 6.923 1.00 0.00 C ATOM 588 CG HIS A 43 -8.776 7.462 7.110 1.00 0.00 C ATOM 589 ND1 HIS A 43 -7.889 7.227 8.147 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.262 8.528 6.412 1.00 0.00 C ATOM 591 CE1 HIS A 43 -6.898 8.130 8.048 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.076 8.948 7.007 1.00 0.00 N ATOM 0 H HIS A 43 -12.031 5.440 6.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.315 7.395 4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.867 7.137 7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.901 5.675 7.421 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.710 8.972 5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.060 8.187 8.727 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.472 9.715 6.712 1.00 0.00 H new ATOM 600 N LEU A 44 -9.222 4.297 4.978 1.00 0.00 N ATOM 601 CA LEU A 44 -8.161 3.419 4.412 1.00 0.00 C ATOM 602 C LEU A 44 -8.132 3.577 2.895 1.00 0.00 C ATOM 603 O LEU A 44 -7.081 3.622 2.284 1.00 0.00 O ATOM 604 CB LEU A 44 -8.477 1.969 4.754 1.00 0.00 C ATOM 605 CG LEU A 44 -8.756 1.830 6.249 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.094 0.371 6.537 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.511 2.236 7.057 1.00 0.00 C ATOM 0 H LEU A 44 -9.966 3.811 5.478 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.194 3.697 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.342 1.633 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.640 1.330 4.472 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.585 2.478 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.297 0.248 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.974 0.081 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.252 -0.260 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.719 2.134 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.675 1.590 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.255 3.272 6.835 1.00 0.00 H new ATOM 619 N GLU A 45 -9.279 3.658 2.279 1.00 0.00 N ATOM 620 CA GLU A 45 -9.321 3.812 0.797 1.00 0.00 C ATOM 621 C GLU A 45 -8.656 5.132 0.407 1.00 0.00 C ATOM 622 O GLU A 45 -7.988 5.226 -0.606 1.00 0.00 O ATOM 623 CB GLU A 45 -10.778 3.818 0.328 1.00 0.00 C ATOM 624 CG GLU A 45 -11.391 2.432 0.537 1.00 0.00 C ATOM 625 CD GLU A 45 -12.872 2.471 0.157 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.331 3.530 -0.238 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.521 1.445 0.269 1.00 0.00 O ATOM 0 H GLU A 45 -10.189 3.624 2.738 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.791 2.983 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.346 4.565 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.830 4.095 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.867 1.695 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.279 2.125 1.577 1.00 0.00 H new ATOM 634 N GLY A 46 -8.828 6.154 1.202 1.00 0.00 N ATOM 635 CA GLY A 46 -8.203 7.467 0.868 1.00 0.00 C ATOM 636 C GLY A 46 -6.683 7.310 0.815 1.00 0.00 C ATOM 637 O GLY A 46 -6.025 7.845 -0.058 1.00 0.00 O ATOM 0 H GLY A 46 -9.372 6.137 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.576 7.826 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.476 8.212 1.615 1.00 0.00 H new ATOM 641 N LYS A 47 -6.115 6.579 1.736 1.00 0.00 N ATOM 642 CA LYS A 47 -4.634 6.390 1.726 1.00 0.00 C ATOM 643 C LYS A 47 -4.252 5.366 0.654 1.00 0.00 C ATOM 644 O LYS A 47 -3.148 5.367 0.144 1.00 0.00 O ATOM 645 CB LYS A 47 -4.174 5.895 3.096 1.00 0.00 C ATOM 646 CG LYS A 47 -4.262 7.037 4.106 1.00 0.00 C ATOM 647 CD LYS A 47 -3.807 6.539 5.477 1.00 0.00 C ATOM 648 CE LYS A 47 -3.788 7.706 6.463 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.339 7.219 7.799 1.00 0.00 N ATOM 0 H LYS A 47 -6.609 6.106 2.492 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.150 7.341 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.795 5.060 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.150 5.526 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.638 7.871 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.285 7.409 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.479 5.759 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.814 6.095 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.118 8.488 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.782 8.148 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.326 8.012 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.995 6.487 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.383 6.817 7.719 1.00 0.00 H new ATOM 663 N LEU A 48 -5.158 4.495 0.311 1.00 0.00 N ATOM 664 CA LEU A 48 -4.861 3.467 -0.726 1.00 0.00 C ATOM 665 C LEU A 48 -4.545 4.159 -2.053 1.00 0.00 C ATOM 666 O LEU A 48 -3.676 3.740 -2.794 1.00 0.00 O ATOM 667 CB LEU A 48 -6.085 2.557 -0.887 1.00 0.00 C ATOM 668 CG LEU A 48 -5.837 1.500 -1.975 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.606 0.647 -1.622 1.00 0.00 C ATOM 670 CD2 LEU A 48 -7.077 0.599 -2.086 1.00 0.00 C ATOM 0 H LEU A 48 -6.097 4.450 0.706 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.000 2.870 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.306 2.066 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.958 3.156 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.652 1.998 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.443 -0.097 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.729 1.289 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.773 0.144 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.911 -0.155 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.257 0.108 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.944 1.204 -2.351 1.00 0.00 H new ATOM 682 N ALA A 49 -5.255 5.208 -2.366 1.00 0.00 N ATOM 683 CA ALA A 49 -5.008 5.920 -3.653 1.00 0.00 C ATOM 684 C ALA A 49 -3.527 6.295 -3.767 1.00 0.00 C ATOM 685 O ALA A 49 -2.925 6.166 -4.818 1.00 0.00 O ATOM 686 CB ALA A 49 -5.855 7.195 -3.687 1.00 0.00 C ATOM 0 H ALA A 49 -5.996 5.603 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.277 5.269 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.681 7.723 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.910 6.933 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.578 7.838 -2.852 1.00 0.00 H new ATOM 692 N GLU A 50 -2.938 6.762 -2.705 1.00 0.00 N ATOM 693 CA GLU A 50 -1.497 7.153 -2.752 1.00 0.00 C ATOM 694 C GLU A 50 -0.625 5.905 -2.887 1.00 0.00 C ATOM 695 O GLU A 50 0.329 5.879 -3.635 1.00 0.00 O ATOM 696 CB GLU A 50 -1.124 7.891 -1.466 1.00 0.00 C ATOM 697 CG GLU A 50 -1.838 9.251 -1.402 1.00 0.00 C ATOM 698 CD GLU A 50 -3.274 9.072 -0.897 1.00 0.00 C ATOM 699 OE1 GLU A 50 -3.686 7.940 -0.716 1.00 0.00 O ATOM 700 OE2 GLU A 50 -3.938 10.077 -0.700 1.00 0.00 O ATOM 0 H GLU A 50 -3.391 6.892 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.333 7.805 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.398 7.288 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.045 8.037 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.294 9.925 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.847 9.712 -2.390 1.00 0.00 H new ATOM 707 N TYR A 51 -0.942 4.869 -2.163 1.00 0.00 N ATOM 708 CA TYR A 51 -0.119 3.630 -2.238 1.00 0.00 C ATOM 709 C TYR A 51 0.050 3.239 -3.708 1.00 0.00 C ATOM 710 O TYR A 51 1.145 2.976 -4.170 1.00 0.00 O ATOM 711 CB TYR A 51 -0.846 2.506 -1.479 1.00 0.00 C ATOM 712 CG TYR A 51 -0.512 2.565 0.004 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.588 3.778 0.705 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.131 1.397 0.676 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.284 3.817 2.072 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.172 1.437 2.041 1.00 0.00 C ATOM 717 CZ TYR A 51 0.095 2.646 2.739 1.00 0.00 C ATOM 718 OH TYR A 51 0.394 2.684 4.087 1.00 0.00 O ATOM 0 H TYR A 51 -1.735 4.826 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 51 0.861 3.795 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.923 2.601 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.556 1.537 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.881 4.681 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.071 0.462 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.342 4.751 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.465 0.534 2.556 1.00 0.00 H new ATOM 0 HH TYR A 51 0.637 1.785 4.394 1.00 0.00 H new ATOM 728 N ILE A 52 -1.022 3.202 -4.438 1.00 0.00 N ATOM 729 CA ILE A 52 -0.935 2.833 -5.876 1.00 0.00 C ATOM 730 C ILE A 52 -0.144 3.897 -6.645 1.00 0.00 C ATOM 731 O ILE A 52 0.677 3.588 -7.484 1.00 0.00 O ATOM 732 CB ILE A 52 -2.348 2.728 -6.450 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.068 1.543 -5.804 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.273 2.513 -7.964 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.564 1.626 -6.112 1.00 0.00 C ATOM 0 H ILE A 52 -1.962 3.412 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.424 1.876 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.894 3.648 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.660 0.606 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.907 1.550 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.281 2.438 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.756 3.354 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.728 1.593 -8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.078 0.782 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.967 2.557 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.715 1.598 -7.191 1.00 0.00 H new ATOM 747 N SER A 53 -0.402 5.150 -6.382 1.00 0.00 N ATOM 748 CA SER A 53 0.314 6.231 -7.122 1.00 0.00 C ATOM 749 C SER A 53 1.827 6.100 -6.931 1.00 0.00 C ATOM 750 O SER A 53 2.582 6.119 -7.884 1.00 0.00 O ATOM 751 CB SER A 53 -0.149 7.583 -6.577 1.00 0.00 C ATOM 752 OG SER A 53 0.526 8.626 -7.265 1.00 0.00 O ATOM 0 H SER A 53 -1.076 5.472 -5.688 1.00 0.00 H new ATOM 0 HA SER A 53 0.090 6.150 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.227 7.688 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.055 7.646 -5.508 1.00 0.00 H new ATOM 0 HG SER A 53 0.229 9.493 -6.918 1.00 0.00 H new ATOM 758 N LEU A 54 2.279 5.960 -5.717 1.00 0.00 N ATOM 759 CA LEU A 54 3.746 5.819 -5.488 1.00 0.00 C ATOM 760 C LEU A 54 4.232 4.520 -6.137 1.00 0.00 C ATOM 761 O LEU A 54 5.284 4.473 -6.746 1.00 0.00 O ATOM 762 CB LEU A 54 4.032 5.796 -3.976 1.00 0.00 C ATOM 763 CG LEU A 54 4.145 7.231 -3.431 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.414 7.924 -3.980 1.00 0.00 C ATOM 765 CD2 LEU A 54 2.902 8.034 -3.833 1.00 0.00 C ATOM 0 H LEU A 54 1.701 5.937 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 54 4.273 6.663 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.235 5.264 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.957 5.252 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 54 4.216 7.187 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.476 8.937 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.296 7.361 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.365 7.963 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.984 9.050 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.825 8.065 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.012 7.559 -3.419 1.00 0.00 H new ATOM 777 N ALA A 55 3.474 3.468 -6.010 1.00 0.00 N ATOM 778 CA ALA A 55 3.885 2.169 -6.612 1.00 0.00 C ATOM 779 C ALA A 55 3.966 2.313 -8.133 1.00 0.00 C ATOM 780 O ALA A 55 4.819 1.733 -8.779 1.00 0.00 O ATOM 781 CB ALA A 55 2.855 1.098 -6.247 1.00 0.00 C ATOM 0 H ALA A 55 2.583 3.451 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 55 4.863 1.878 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.151 0.145 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.802 0.998 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.877 1.387 -6.633 1.00 0.00 H new ATOM 787 N LYS A 56 3.082 3.080 -8.709 1.00 0.00 N ATOM 788 CA LYS A 56 3.098 3.268 -10.189 1.00 0.00 C ATOM 789 C LYS A 56 4.408 3.924 -10.616 1.00 0.00 C ATOM 790 O LYS A 56 5.039 3.510 -11.571 1.00 0.00 O ATOM 791 CB LYS A 56 1.924 4.176 -10.578 1.00 0.00 C ATOM 792 CG LYS A 56 0.594 3.409 -10.444 1.00 0.00 C ATOM 793 CD LYS A 56 0.291 2.665 -11.744 1.00 0.00 C ATOM 794 CE LYS A 56 -1.028 1.904 -11.607 1.00 0.00 C ATOM 795 NZ LYS A 56 -0.878 0.831 -10.582 1.00 0.00 N ATOM 0 H LYS A 56 2.346 3.587 -8.217 1.00 0.00 H new ATOM 0 HA LYS A 56 3.009 2.301 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.910 5.059 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.049 4.526 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.653 2.703 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.215 4.103 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.230 3.371 -12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.100 1.972 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.827 2.588 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.311 1.469 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.777 0.709 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.620 -0.062 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.132 1.097 -9.908 1.00 0.00 H new ATOM 809 N GLN A 57 4.824 4.944 -9.923 1.00 0.00 N ATOM 810 CA GLN A 57 6.095 5.627 -10.295 1.00 0.00 C ATOM 811 C GLN A 57 7.277 4.703 -10.008 1.00 0.00 C ATOM 812 O GLN A 57 8.206 4.601 -10.788 1.00 0.00 O ATOM 813 CB GLN A 57 6.235 6.911 -9.478 1.00 0.00 C ATOM 814 CG GLN A 57 7.526 7.626 -9.869 1.00 0.00 C ATOM 815 CD GLN A 57 7.577 8.991 -9.185 1.00 0.00 C ATOM 816 OE1 GLN A 57 6.567 9.499 -8.737 1.00 0.00 O ATOM 817 NE2 GLN A 57 8.719 9.612 -9.082 1.00 0.00 N ATOM 0 H GLN A 57 4.340 5.336 -9.115 1.00 0.00 H new ATOM 0 HA GLN A 57 6.081 5.871 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.379 7.562 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.244 6.678 -8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.389 7.028 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.574 7.747 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.567 9.187 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.765 10.523 -8.626 1.00 0.00 H new ATOM 826 N VAL A 58 7.249 4.024 -8.895 1.00 0.00 N ATOM 827 CA VAL A 58 8.367 3.103 -8.554 1.00 0.00 C ATOM 828 C VAL A 58 8.430 1.969 -9.581 1.00 0.00 C ATOM 829 O VAL A 58 9.489 1.618 -10.064 1.00 0.00 O ATOM 830 CB VAL A 58 8.132 2.520 -7.157 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.155 1.416 -6.878 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.287 3.630 -6.116 1.00 0.00 C ATOM 0 H VAL A 58 6.498 4.068 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 58 9.309 3.651 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 58 7.127 2.101 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.984 1.004 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.049 0.626 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.162 1.831 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.121 3.220 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.293 4.045 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.558 4.416 -6.311 1.00 0.00 H new ATOM 842 N TYR A 59 7.303 1.388 -9.908 1.00 0.00 N ATOM 843 CA TYR A 59 7.277 0.261 -10.897 1.00 0.00 C ATOM 844 C TYR A 59 6.267 0.574 -12.006 1.00 0.00 C ATOM 845 O TYR A 59 5.176 1.046 -11.755 1.00 0.00 O ATOM 846 CB TYR A 59 6.869 -1.025 -10.179 1.00 0.00 C ATOM 847 CG TYR A 59 7.003 -2.192 -11.125 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.240 -2.828 -11.277 1.00 0.00 C ATOM 849 CD2 TYR A 59 5.894 -2.635 -11.853 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.368 -3.909 -12.156 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.022 -3.717 -12.732 1.00 0.00 C ATOM 852 CZ TYR A 59 7.259 -4.353 -12.884 1.00 0.00 C ATOM 853 OH TYR A 59 7.382 -5.418 -13.751 1.00 0.00 O ATOM 0 H TYR A 59 6.391 1.647 -9.530 1.00 0.00 H new ATOM 0 HA TYR A 59 8.266 0.137 -11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.497 -1.180 -9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.841 -0.946 -9.825 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.096 -2.484 -10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.940 -2.143 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.323 -4.400 -12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.166 -4.061 -13.293 1.00 0.00 H new ATOM 0 HH TYR A 59 7.860 -6.149 -13.306 1.00 0.00 H new ATOM 863 N ALA A 60 6.640 0.324 -13.230 1.00 0.00 N ATOM 864 CA ALA A 60 5.734 0.609 -14.383 1.00 0.00 C ATOM 865 C ALA A 60 4.330 0.051 -14.125 1.00 0.00 C ATOM 866 O ALA A 60 3.546 0.625 -13.397 1.00 0.00 O ATOM 867 CB ALA A 60 6.315 -0.039 -15.640 1.00 0.00 C ATOM 0 H ALA A 60 7.545 -0.071 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 60 5.656 1.688 -14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.661 0.163 -16.489 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.304 0.373 -15.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.394 -1.116 -15.491 1.00 0.00 H new ATOM 873 N ASN A 61 4.003 -1.056 -14.734 1.00 0.00 N ATOM 874 CA ASN A 61 2.646 -1.646 -14.545 1.00 0.00 C ATOM 875 C ASN A 61 2.642 -2.521 -13.293 1.00 0.00 C ATOM 876 O ASN A 61 2.861 -3.713 -13.353 1.00 0.00 O ATOM 877 CB ASN A 61 2.293 -2.492 -15.771 1.00 0.00 C ATOM 878 CG ASN A 61 2.132 -1.573 -16.983 1.00 0.00 C ATOM 879 OD1 ASN A 61 1.446 -0.574 -16.914 1.00 0.00 O ATOM 880 ND2 ASN A 61 2.742 -1.867 -18.101 1.00 0.00 N ATOM 0 H ASN A 61 4.619 -1.579 -15.356 1.00 0.00 H new ATOM 0 HA ASN A 61 1.909 -0.851 -14.427 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.075 -3.228 -15.958 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.371 -3.045 -15.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.641 -1.258 -18.913 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.319 -2.706 -18.162 1.00 0.00 H new ATOM 887 N VAL A 62 2.392 -1.934 -12.156 1.00 0.00 N ATOM 888 CA VAL A 62 2.373 -2.724 -10.892 1.00 0.00 C ATOM 889 C VAL A 62 1.019 -3.419 -10.739 1.00 0.00 C ATOM 890 O VAL A 62 -0.020 -2.835 -10.976 1.00 0.00 O ATOM 891 CB VAL A 62 2.611 -1.783 -9.706 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.457 -0.784 -9.602 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.702 -2.596 -8.414 1.00 0.00 C ATOM 0 H VAL A 62 2.199 -0.938 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 62 3.158 -3.479 -10.920 1.00 0.00 H new ATOM 0 HB VAL A 62 3.545 -1.242 -9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.629 -0.116 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.397 -0.200 -10.520 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.521 -1.323 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.871 -1.924 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.771 -3.142 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.529 -3.303 -8.486 1.00 0.00 H new ATOM 903 N GLU A 63 1.025 -4.664 -10.339 1.00 0.00 N ATOM 904 CA GLU A 63 -0.258 -5.420 -10.159 1.00 0.00 C ATOM 905 C GLU A 63 -0.510 -5.621 -8.666 1.00 0.00 C ATOM 906 O GLU A 63 0.389 -5.935 -7.908 1.00 0.00 O ATOM 907 CB GLU A 63 -0.139 -6.783 -10.842 1.00 0.00 C ATOM 908 CG GLU A 63 -0.094 -6.583 -12.356 1.00 0.00 C ATOM 909 CD GLU A 63 0.108 -7.932 -13.047 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.178 -8.930 -12.350 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.187 -7.944 -14.265 1.00 0.00 O ATOM 0 H GLU A 63 1.869 -5.197 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.084 -4.862 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.762 -7.295 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.985 -7.414 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.020 -6.122 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.717 -5.903 -12.619 1.00 0.00 H new ATOM 918 N TYR A 64 -1.726 -5.433 -8.232 1.00 0.00 N ATOM 919 CA TYR A 64 -2.039 -5.604 -6.785 1.00 0.00 C ATOM 920 C TYR A 64 -3.503 -6.005 -6.624 1.00 0.00 C ATOM 921 O TYR A 64 -4.301 -5.867 -7.529 1.00 0.00 O ATOM 922 CB TYR A 64 -1.784 -4.287 -6.048 1.00 0.00 C ATOM 923 CG TYR A 64 -2.604 -3.181 -6.672 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.071 -2.426 -7.722 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.892 -2.905 -6.197 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.823 -1.394 -8.296 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.646 -1.874 -6.772 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.111 -1.119 -7.822 1.00 0.00 C ATOM 929 OH TYR A 64 -4.852 -0.101 -8.388 1.00 0.00 O ATOM 0 H TYR A 64 -2.518 -5.168 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.402 -6.383 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.043 -4.394 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.724 -4.035 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.078 -2.639 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.304 -3.488 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.409 -0.810 -9.105 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.639 -1.662 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.790 -0.191 -8.119 1.00 0.00 H new ATOM 939 N GLU A 65 -3.860 -6.499 -5.473 1.00 0.00 N ATOM 940 CA GLU A 65 -5.278 -6.913 -5.231 1.00 0.00 C ATOM 941 C GLU A 65 -5.684 -6.475 -3.828 1.00 0.00 C ATOM 942 O GLU A 65 -4.856 -6.316 -2.955 1.00 0.00 O ATOM 943 CB GLU A 65 -5.393 -8.436 -5.343 1.00 0.00 C ATOM 944 CG GLU A 65 -5.131 -8.870 -6.788 1.00 0.00 C ATOM 945 CD GLU A 65 -6.226 -8.314 -7.702 1.00 0.00 C ATOM 946 OE1 GLU A 65 -7.278 -7.969 -7.189 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.992 -8.241 -8.897 1.00 0.00 O ATOM 0 H GLU A 65 -3.231 -6.636 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.931 -6.449 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.677 -8.914 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.386 -8.759 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.155 -8.511 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.108 -9.958 -6.852 1.00 0.00 H new ATOM 954 N VAL A 66 -6.956 -6.271 -3.610 1.00 0.00 N ATOM 955 CA VAL A 66 -7.446 -5.833 -2.263 1.00 0.00 C ATOM 956 C VAL A 66 -8.529 -6.804 -1.784 1.00 0.00 C ATOM 957 O VAL A 66 -9.472 -7.098 -2.490 1.00 0.00 O ATOM 958 CB VAL A 66 -8.025 -4.411 -2.370 1.00 0.00 C ATOM 959 CG1 VAL A 66 -9.017 -4.325 -3.538 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.744 -4.047 -1.065 1.00 0.00 C ATOM 0 H VAL A 66 -7.686 -6.389 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.622 -5.830 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.207 -3.713 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.418 -3.313 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.506 -4.571 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.833 -5.029 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.153 -3.040 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.554 -4.754 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.037 -4.088 -0.236 1.00 0.00 H new ATOM 970 N ALA A 67 -8.395 -7.304 -0.587 1.00 0.00 N ATOM 971 CA ALA A 67 -9.411 -8.259 -0.050 1.00 0.00 C ATOM 972 C ALA A 67 -10.540 -7.458 0.641 1.00 0.00 C ATOM 973 O ALA A 67 -10.281 -6.753 1.594 1.00 0.00 O ATOM 974 CB ALA A 67 -8.732 -9.176 0.975 1.00 0.00 C ATOM 0 H ALA A 67 -7.624 -7.093 0.046 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.831 -8.857 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.463 -9.879 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.925 -9.727 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.324 -8.575 1.787 1.00 0.00 H new ATOM 980 N PRO A 68 -11.783 -7.559 0.189 1.00 0.00 N ATOM 981 CA PRO A 68 -12.918 -6.812 0.823 1.00 0.00 C ATOM 982 C PRO A 68 -12.938 -6.941 2.356 1.00 0.00 C ATOM 983 O PRO A 68 -12.732 -8.007 2.903 1.00 0.00 O ATOM 984 CB PRO A 68 -14.165 -7.483 0.224 1.00 0.00 C ATOM 985 CG PRO A 68 -13.728 -7.987 -1.113 1.00 0.00 C ATOM 986 CD PRO A 68 -12.246 -8.356 -0.971 1.00 0.00 C ATOM 0 HA PRO A 68 -12.848 -5.742 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.517 -8.297 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.988 -6.774 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.317 -8.853 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.867 -7.225 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.116 -9.424 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.686 -8.109 -1.873 1.00 0.00 H new ATOM 994 N VAL A 69 -13.182 -5.848 3.046 1.00 0.00 N ATOM 995 CA VAL A 69 -13.219 -5.872 4.548 1.00 0.00 C ATOM 996 C VAL A 69 -14.463 -5.127 5.053 1.00 0.00 C ATOM 997 O VAL A 69 -15.077 -4.362 4.339 1.00 0.00 O ATOM 998 CB VAL A 69 -11.960 -5.203 5.115 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.785 -5.615 6.580 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.726 -5.622 4.290 1.00 0.00 C ATOM 0 H VAL A 69 -13.358 -4.934 2.630 1.00 0.00 H new ATOM 0 HA VAL A 69 -13.258 -6.909 4.881 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.064 -4.120 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.891 -5.142 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.656 -5.299 7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.683 -6.698 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.836 -5.143 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.609 -6.705 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.860 -5.314 3.253 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.835 -5.355 6.285 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.039 -4.677 6.858 1.00 0.00 C ATOM 1012 C ALA A 70 -15.829 -3.155 6.876 1.00 0.00 C ATOM 1013 O ALA A 70 -14.734 -2.669 7.080 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.267 -5.192 8.294 1.00 0.00 C ATOM 0 H ALA A 70 -14.354 -5.987 6.925 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.911 -4.900 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.143 -4.704 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.427 -6.270 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.392 -4.967 8.904 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.879 -2.406 6.671 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.760 -0.920 6.684 1.00 0.00 C ATOM 1022 C ASP A 71 -16.490 -0.437 8.111 1.00 0.00 C ATOM 1023 O ASP A 71 -15.850 0.575 8.331 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.064 -0.304 6.177 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.195 -0.571 4.678 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.235 -1.052 4.100 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.251 -0.293 4.134 1.00 0.00 O ATOM 0 H ASP A 71 -17.818 -2.762 6.494 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.936 -0.617 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.913 -0.731 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.073 0.769 6.370 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.980 -1.160 9.080 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.772 -0.769 10.504 1.00 0.00 C ATOM 1034 C ASN A 72 -15.552 -1.492 11.047 1.00 0.00 C ATOM 1035 O ASN A 72 -15.244 -1.415 12.222 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.988 -1.189 11.325 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.180 -0.314 10.952 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.016 0.744 10.381 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -20.385 -0.713 11.253 1.00 0.00 N ATOM 0 H ASN A 72 -17.521 -2.014 8.945 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.631 0.310 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.221 -2.238 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.772 -1.094 12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -21.189 -0.136 11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -20.523 -1.602 11.733 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.849 -2.194 10.204 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.633 -2.922 10.668 1.00 0.00 C ATOM 1048 C ALA A 73 -12.441 -1.985 10.575 1.00 0.00 C ATOM 1049 O ALA A 73 -12.420 -1.066 9.784 1.00 0.00 O ATOM 1050 CB ALA A 73 -13.370 -4.133 9.780 1.00 0.00 C ATOM 0 H ALA A 73 -15.063 -2.296 9.212 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.785 -3.256 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.479 -4.655 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.225 -4.807 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.217 -3.804 8.752 1.00 0.00 H new ATOM 1056 N THR A 74 -11.443 -2.231 11.359 1.00 0.00 N ATOM 1057 CA THR A 74 -10.245 -1.353 11.325 1.00 0.00 C ATOM 1058 C THR A 74 -9.337 -1.640 10.138 1.00 0.00 C ATOM 1059 O THR A 74 -8.196 -1.289 10.216 1.00 0.00 O ATOM 1060 CB THR A 74 -9.389 -1.646 12.576 1.00 0.00 C ATOM 1061 OG1 THR A 74 -8.044 -1.274 12.346 1.00 0.00 O ATOM 1062 CG2 THR A 74 -9.397 -3.142 12.860 1.00 0.00 C ATOM 0 H THR A 74 -11.400 -3.002 12.025 1.00 0.00 H new ATOM 0 HA THR A 74 -10.610 -0.327 11.269 1.00 0.00 H new ATOM 0 HB THR A 74 -9.805 -1.083 13.412 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.978 -0.796 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.792 -3.348 13.743 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.420 -3.474 13.035 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.984 -3.677 12.005 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.704 -2.313 9.079 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.565 -2.555 8.098 1.00 0.00 C ATOM 1072 C GLU A 75 -8.875 -2.874 6.635 1.00 0.00 C ATOM 1073 O GLU A 75 -9.964 -3.171 6.193 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.681 -3.661 8.742 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.579 -4.947 7.915 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.865 -5.995 8.777 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -7.343 -6.246 9.872 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -5.856 -6.523 8.337 1.00 0.00 O ATOM 0 H GLU A 75 -10.629 -2.677 8.850 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.079 -1.588 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.678 -3.263 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.084 -3.906 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.570 -5.298 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.025 -4.767 6.993 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.794 -2.747 5.929 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.687 -2.942 4.484 1.00 0.00 C ATOM 1087 C LEU A 76 -6.366 -3.690 4.283 1.00 0.00 C ATOM 1088 O LEU A 76 -5.359 -3.292 4.822 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.561 -1.549 3.869 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.621 -1.592 2.331 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -7.935 -0.176 1.815 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.265 -2.045 1.750 1.00 0.00 C ATOM 0 H LEU A 76 -6.903 -2.490 6.353 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.528 -3.479 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.361 -0.912 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.620 -1.097 4.183 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.391 -2.298 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.981 -0.188 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.894 0.153 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.152 0.511 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.325 -2.070 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.487 -1.345 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.024 -3.040 2.123 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.335 -4.746 3.525 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.038 -5.481 3.314 1.00 0.00 C ATOM 1106 C HIS A 77 -4.909 -5.759 1.821 1.00 0.00 C ATOM 1107 O HIS A 77 -5.863 -6.156 1.187 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.053 -6.810 4.084 1.00 0.00 C ATOM 1109 CG HIS A 77 -3.703 -7.472 3.985 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -2.574 -6.959 4.607 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.288 -8.609 3.336 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -1.544 -7.778 4.320 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -1.924 -8.799 3.549 1.00 0.00 N ATOM 0 H HIS A 77 -7.142 -5.139 3.040 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.200 -4.885 3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.305 -6.632 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.821 -7.468 3.678 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.922 -9.257 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.534 -7.627 4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.341 -9.556 3.192 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.760 -5.535 1.245 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.600 -5.774 -0.223 1.00 0.00 C ATOM 1123 C ALA A 78 -2.227 -6.380 -0.495 1.00 0.00 C ATOM 1124 O ALA A 78 -1.367 -6.399 0.361 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.721 -4.441 -0.972 1.00 0.00 C ATOM 0 H ALA A 78 -2.925 -5.198 1.724 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.375 -6.460 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.605 -4.613 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.700 -4.003 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.944 -3.758 -0.628 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.021 -6.877 -1.686 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.703 -7.490 -2.048 1.00 0.00 C ATOM 1133 C ARG A 79 -0.152 -6.771 -3.274 1.00 0.00 C ATOM 1134 O ARG A 79 -0.896 -6.294 -4.106 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.904 -8.970 -2.378 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.322 -9.720 -1.114 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.587 -11.188 -1.454 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.315 -11.825 -1.904 1.00 0.00 N ATOM 1139 CZ ARG A 79 -0.318 -13.059 -2.323 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.430 -13.742 -2.345 1.00 0.00 N ATOM 1141 NH2 ARG A 79 0.796 -13.615 -2.719 1.00 0.00 N ATOM 0 H ARG A 79 -2.715 -6.886 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.007 -7.397 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.666 -9.082 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.018 -9.393 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.539 -9.646 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.218 -9.267 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.981 -11.710 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.342 -11.262 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 79 0.556 -11.295 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.300 -13.310 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.429 -14.708 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.666 -13.083 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.795 -14.581 -3.047 1.00 0.00 H new ATOM 1155 N PHE A 80 1.147 -6.681 -3.383 1.00 0.00 N ATOM 1156 CA PHE A 80 1.775 -5.982 -4.552 1.00 0.00 C ATOM 1157 C PHE A 80 2.844 -6.883 -5.157 1.00 0.00 C ATOM 1158 O PHE A 80 3.457 -7.679 -4.474 1.00 0.00 O ATOM 1159 CB PHE A 80 2.422 -4.681 -4.073 1.00 0.00 C ATOM 1160 CG PHE A 80 1.343 -3.668 -3.782 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.661 -3.705 -2.563 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.017 -2.705 -4.742 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.349 -2.770 -2.300 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.007 -1.772 -4.483 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.676 -1.805 -3.260 1.00 0.00 C ATOM 0 H PHE A 80 1.809 -7.064 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 80 1.015 -5.759 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.016 -4.864 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.102 -4.297 -4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.912 -4.453 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.545 -2.681 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.875 -2.794 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.246 -1.028 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.455 -1.085 -3.058 1.00 0.00 H new ATOM 1175 N LYS A 81 3.073 -6.766 -6.438 1.00 0.00 N ATOM 1176 CA LYS A 81 4.107 -7.616 -7.106 1.00 0.00 C ATOM 1177 C LYS A 81 5.327 -6.760 -7.438 1.00 0.00 C ATOM 1178 O LYS A 81 5.241 -5.801 -8.178 1.00 0.00 O ATOM 1179 CB LYS A 81 3.518 -8.191 -8.394 1.00 0.00 C ATOM 1180 CG LYS A 81 4.471 -9.241 -8.966 1.00 0.00 C ATOM 1181 CD LYS A 81 3.799 -9.959 -10.139 1.00 0.00 C ATOM 1182 CE LYS A 81 3.634 -8.998 -11.322 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.371 -9.785 -12.557 1.00 0.00 N ATOM 0 H LYS A 81 2.587 -6.115 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 81 4.407 -8.428 -6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.545 -8.639 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.359 -7.395 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.394 -8.766 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.742 -9.960 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.398 -10.819 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.825 -10.340 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.811 -8.308 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.534 -8.395 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.258 -9.138 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.170 -10.426 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.501 -10.342 -12.435 1.00 0.00 H new ATOM 1197 N PHE A 82 6.465 -7.105 -6.892 1.00 0.00 N ATOM 1198 CA PHE A 82 7.719 -6.325 -7.158 1.00 0.00 C ATOM 1199 C PHE A 82 8.824 -7.281 -7.596 1.00 0.00 C ATOM 1200 O PHE A 82 8.822 -8.451 -7.263 1.00 0.00 O ATOM 1201 CB PHE A 82 8.148 -5.585 -5.891 1.00 0.00 C ATOM 1202 CG PHE A 82 7.209 -4.424 -5.653 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.215 -3.335 -6.533 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.330 -4.438 -4.563 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.344 -2.259 -6.324 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.458 -3.362 -4.355 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.465 -2.274 -5.235 1.00 0.00 C ATOM 0 H PHE A 82 6.583 -7.902 -6.266 1.00 0.00 H new ATOM 0 HA PHE A 82 7.533 -5.597 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.133 -6.262 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.172 -5.225 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.892 -3.325 -7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.325 -5.278 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.350 -1.419 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.780 -3.372 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.792 -1.445 -5.074 1.00 0.00 H new ATOM 1217 N GLU A 83 9.760 -6.792 -8.353 1.00 0.00 N ATOM 1218 CA GLU A 83 10.860 -7.670 -8.835 1.00 0.00 C ATOM 1219 C GLU A 83 11.697 -8.154 -7.648 1.00 0.00 C ATOM 1220 O GLU A 83 12.091 -9.303 -7.589 1.00 0.00 O ATOM 1221 CB GLU A 83 11.759 -6.885 -9.795 1.00 0.00 C ATOM 1222 CG GLU A 83 10.904 -6.080 -10.769 1.00 0.00 C ATOM 1223 CD GLU A 83 9.978 -7.019 -11.546 1.00 0.00 C ATOM 1224 OE1 GLU A 83 10.478 -7.967 -12.126 1.00 0.00 O ATOM 1225 OE2 GLU A 83 8.783 -6.771 -11.548 1.00 0.00 O ATOM 0 H GLU A 83 9.813 -5.821 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 83 10.430 -8.528 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.410 -6.217 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.404 -7.570 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.315 -5.342 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.543 -5.531 -11.460 1.00 0.00 H new ATOM 1232 N VAL A 84 11.985 -7.284 -6.708 1.00 0.00 N ATOM 1233 CA VAL A 84 12.818 -7.691 -5.528 1.00 0.00 C ATOM 1234 C VAL A 84 12.219 -7.131 -4.231 1.00 0.00 C ATOM 1235 O VAL A 84 11.442 -6.194 -4.238 1.00 0.00 O ATOM 1236 CB VAL A 84 14.247 -7.162 -5.716 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.699 -7.416 -7.157 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.300 -5.655 -5.437 1.00 0.00 C ATOM 0 H VAL A 84 11.680 -6.311 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 84 12.834 -8.779 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 84 14.906 -7.680 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.713 -7.041 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.678 -8.486 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.028 -6.902 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.320 -5.295 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.635 -5.134 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.983 -5.463 -4.412 1.00 0.00 H new ATOM 1248 N SER A 85 12.590 -7.702 -3.120 1.00 0.00 N ATOM 1249 CA SER A 85 12.073 -7.226 -1.805 1.00 0.00 C ATOM 1250 C SER A 85 12.536 -5.789 -1.542 1.00 0.00 C ATOM 1251 O SER A 85 11.787 -4.974 -1.035 1.00 0.00 O ATOM 1252 CB SER A 85 12.599 -8.142 -0.698 1.00 0.00 C ATOM 1253 OG SER A 85 12.401 -7.518 0.563 1.00 0.00 O ATOM 0 H SER A 85 13.238 -8.488 -3.065 1.00 0.00 H new ATOM 0 HA SER A 85 10.983 -7.248 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.081 -9.101 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.658 -8.347 -0.853 1.00 0.00 H new ATOM 0 HG SER A 85 12.736 -8.104 1.274 1.00 0.00 H new ATOM 1259 N ALA A 86 13.770 -5.482 -1.864 1.00 0.00 N ATOM 1260 CA ALA A 86 14.309 -4.104 -1.619 1.00 0.00 C ATOM 1261 C ALA A 86 13.248 -3.056 -1.969 1.00 0.00 C ATOM 1262 O ALA A 86 13.125 -2.040 -1.311 1.00 0.00 O ATOM 1263 CB ALA A 86 15.564 -3.885 -2.477 1.00 0.00 C ATOM 0 H ALA A 86 14.432 -6.131 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 86 14.569 -4.002 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.956 -2.884 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.320 -4.623 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.308 -3.992 -3.531 1.00 0.00 H new ATOM 1269 N GLU A 87 12.474 -3.302 -2.986 1.00 0.00 N ATOM 1270 CA GLU A 87 11.414 -2.327 -3.362 1.00 0.00 C ATOM 1271 C GLU A 87 10.377 -2.264 -2.247 1.00 0.00 C ATOM 1272 O GLU A 87 9.853 -1.214 -1.933 1.00 0.00 O ATOM 1273 CB GLU A 87 10.746 -2.781 -4.662 1.00 0.00 C ATOM 1274 CG GLU A 87 11.710 -2.576 -5.832 1.00 0.00 C ATOM 1275 CD GLU A 87 11.914 -1.079 -6.070 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.923 -0.377 -6.175 1.00 0.00 O ATOM 1277 OE2 GLU A 87 13.057 -0.660 -6.139 1.00 0.00 O ATOM 0 H GLU A 87 12.528 -4.134 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 87 11.853 -1.340 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.463 -3.831 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.830 -2.215 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.666 -3.054 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.313 -3.047 -6.731 1.00 0.00 H new ATOM 1284 N LYS A 88 10.075 -3.378 -1.642 1.00 0.00 N ATOM 1285 CA LYS A 88 9.072 -3.375 -0.545 1.00 0.00 C ATOM 1286 C LYS A 88 9.593 -2.532 0.616 1.00 0.00 C ATOM 1287 O LYS A 88 8.880 -1.721 1.177 1.00 0.00 O ATOM 1288 CB LYS A 88 8.824 -4.816 -0.078 1.00 0.00 C ATOM 1289 CG LYS A 88 7.867 -4.840 1.126 1.00 0.00 C ATOM 1290 CD LYS A 88 6.527 -4.189 0.756 1.00 0.00 C ATOM 1291 CE LYS A 88 5.463 -4.578 1.785 1.00 0.00 C ATOM 1292 NZ LYS A 88 5.791 -3.950 3.096 1.00 0.00 N ATOM 0 H LYS A 88 10.479 -4.289 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 88 8.135 -2.949 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.403 -5.401 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.770 -5.283 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.703 -5.868 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.316 -4.311 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.635 -3.105 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.219 -4.509 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.479 -4.251 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.421 -5.662 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.858 -4.687 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.700 -3.450 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.044 -3.274 3.354 1.00 0.00 H new ATOM 1306 N LEU A 89 10.824 -2.726 0.993 1.00 0.00 N ATOM 1307 CA LEU A 89 11.382 -1.944 2.130 1.00 0.00 C ATOM 1308 C LEU A 89 11.361 -0.454 1.783 1.00 0.00 C ATOM 1309 O LEU A 89 10.942 0.372 2.570 1.00 0.00 O ATOM 1310 CB LEU A 89 12.827 -2.395 2.374 1.00 0.00 C ATOM 1311 CG LEU A 89 12.842 -3.694 3.183 1.00 0.00 C ATOM 1312 CD1 LEU A 89 12.154 -4.810 2.390 1.00 0.00 C ATOM 1313 CD2 LEU A 89 14.292 -4.093 3.460 1.00 0.00 C ATOM 0 H LEU A 89 11.468 -3.391 0.564 1.00 0.00 H new ATOM 0 HA LEU A 89 10.785 -2.110 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.335 -2.545 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.374 -1.618 2.909 1.00 0.00 H new ATOM 0 HG LEU A 89 12.311 -3.541 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.168 -5.732 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.122 -4.527 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.682 -4.966 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.311 -5.018 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.815 -4.243 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.785 -3.303 4.026 1.00 0.00 H new ATOM 1325 N ILE A 90 11.809 -0.103 0.609 1.00 0.00 N ATOM 1326 CA ILE A 90 11.811 1.332 0.210 1.00 0.00 C ATOM 1327 C ILE A 90 10.371 1.820 0.035 1.00 0.00 C ATOM 1328 O ILE A 90 10.008 2.894 0.477 1.00 0.00 O ATOM 1329 CB ILE A 90 12.579 1.483 -1.106 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.057 1.165 -0.865 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.441 2.916 -1.623 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.782 1.056 -2.208 1.00 0.00 C ATOM 0 H ILE A 90 12.174 -0.749 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 90 12.294 1.930 0.983 1.00 0.00 H new ATOM 0 HB ILE A 90 12.171 0.795 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.513 1.945 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.153 0.231 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.989 3.019 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.388 3.142 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.847 3.609 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.834 0.830 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.332 0.260 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.697 2.001 -2.745 1.00 0.00 H new ATOM 1344 N PHE A 91 9.549 1.037 -0.610 1.00 0.00 N ATOM 1345 CA PHE A 91 8.132 1.448 -0.825 1.00 0.00 C ATOM 1346 C PHE A 91 7.442 1.624 0.523 1.00 0.00 C ATOM 1347 O PHE A 91 6.756 2.599 0.757 1.00 0.00 O ATOM 1348 CB PHE A 91 7.408 0.372 -1.635 1.00 0.00 C ATOM 1349 CG PHE A 91 5.965 0.776 -1.829 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.640 1.789 -2.739 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.953 0.137 -1.101 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.302 2.165 -2.920 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.618 0.512 -1.281 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.292 1.526 -2.192 1.00 0.00 C ATOM 0 H PHE A 91 9.799 0.128 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 91 8.105 2.392 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.894 0.241 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.463 -0.586 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.420 2.281 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.204 -0.646 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.051 2.947 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.838 0.020 -0.718 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.261 1.814 -2.332 1.00 0.00 H new ATOM 1364 N GLU A 92 7.613 0.688 1.413 1.00 0.00 N ATOM 1365 CA GLU A 92 6.964 0.807 2.746 1.00 0.00 C ATOM 1366 C GLU A 92 7.573 1.990 3.496 1.00 0.00 C ATOM 1367 O GLU A 92 6.886 2.733 4.171 1.00 0.00 O ATOM 1368 CB GLU A 92 7.195 -0.478 3.541 1.00 0.00 C ATOM 1369 CG GLU A 92 6.447 -0.398 4.873 1.00 0.00 C ATOM 1370 CD GLU A 92 6.651 -1.702 5.644 1.00 0.00 C ATOM 1371 OE1 GLU A 92 7.505 -2.477 5.243 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.950 -1.906 6.621 1.00 0.00 O ATOM 0 H GLU A 92 8.173 -0.153 1.275 1.00 0.00 H new ATOM 0 HA GLU A 92 5.893 0.966 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.849 -1.339 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.261 -0.621 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.812 0.446 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.385 -0.228 4.697 1.00 0.00 H new ATOM 1379 N LEU A 93 8.862 2.165 3.390 1.00 0.00 N ATOM 1380 CA LEU A 93 9.520 3.295 4.101 1.00 0.00 C ATOM 1381 C LEU A 93 8.976 4.619 3.561 1.00 0.00 C ATOM 1382 O LEU A 93 8.590 5.499 4.306 1.00 0.00 O ATOM 1383 CB LEU A 93 11.031 3.230 3.843 1.00 0.00 C ATOM 1384 CG LEU A 93 11.774 4.225 4.758 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.063 3.570 6.113 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.101 4.628 4.111 1.00 0.00 C ATOM 0 H LEU A 93 9.487 1.574 2.842 1.00 0.00 H new ATOM 0 HA LEU A 93 9.320 3.227 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.394 2.218 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.239 3.461 2.798 1.00 0.00 H new ATOM 0 HG LEU A 93 11.149 5.106 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.588 4.278 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.124 3.280 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.683 2.686 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.623 5.331 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.718 3.742 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.908 5.099 3.147 1.00 0.00 H new ATOM 1398 N LYS A 94 8.941 4.760 2.265 1.00 0.00 N ATOM 1399 CA LYS A 94 8.420 6.017 1.655 1.00 0.00 C ATOM 1400 C LYS A 94 6.910 6.107 1.864 1.00 0.00 C ATOM 1401 O LYS A 94 6.380 7.137 2.232 1.00 0.00 O ATOM 1402 CB LYS A 94 8.740 6.014 0.160 1.00 0.00 C ATOM 1403 CG LYS A 94 8.276 7.329 -0.466 1.00 0.00 C ATOM 1404 CD LYS A 94 8.780 7.418 -1.909 1.00 0.00 C ATOM 1405 CE LYS A 94 8.276 6.218 -2.716 1.00 0.00 C ATOM 1406 NZ LYS A 94 6.866 5.909 -2.337 1.00 0.00 N ATOM 0 H LYS A 94 9.253 4.054 1.598 1.00 0.00 H new ATOM 0 HA LYS A 94 8.891 6.878 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.812 5.885 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.245 5.173 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.188 7.389 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.652 8.172 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.435 8.345 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.870 7.443 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.336 6.434 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.910 5.351 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.375 5.481 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.859 5.244 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.380 6.786 -2.062 1.00 0.00 H new ATOM 1420 N THR A 95 6.217 5.032 1.626 1.00 0.00 N ATOM 1421 CA THR A 95 4.739 5.035 1.801 1.00 0.00 C ATOM 1422 C THR A 95 4.401 5.322 3.264 1.00 0.00 C ATOM 1423 O THR A 95 3.522 6.106 3.567 1.00 0.00 O ATOM 1424 CB THR A 95 4.187 3.669 1.398 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.469 3.436 0.025 1.00 0.00 O ATOM 1426 CG2 THR A 95 2.679 3.643 1.624 1.00 0.00 C ATOM 0 H THR A 95 6.613 4.145 1.316 1.00 0.00 H new ATOM 0 HA THR A 95 4.292 5.807 1.174 1.00 0.00 H new ATOM 0 HB THR A 95 4.655 2.892 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.433 3.305 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.285 2.668 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.466 3.824 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.207 4.418 1.020 1.00 0.00 H new ATOM 1434 N ARG A 96 5.095 4.695 4.173 1.00 0.00 N ATOM 1435 CA ARG A 96 4.820 4.932 5.617 1.00 0.00 C ATOM 1436 C ARG A 96 4.991 6.416 5.922 1.00 0.00 C ATOM 1437 O ARG A 96 4.203 7.012 6.632 1.00 0.00 O ATOM 1438 CB ARG A 96 5.796 4.112 6.464 1.00 0.00 C ATOM 1439 CG ARG A 96 5.477 4.307 7.947 1.00 0.00 C ATOM 1440 CD ARG A 96 6.369 3.388 8.783 1.00 0.00 C ATOM 1441 NE ARG A 96 7.804 3.762 8.580 1.00 0.00 N ATOM 1442 CZ ARG A 96 8.358 4.687 9.316 1.00 0.00 C ATOM 1443 NH1 ARG A 96 7.660 5.313 10.226 1.00 0.00 N ATOM 1444 NH2 ARG A 96 9.615 4.993 9.139 1.00 0.00 N ATOM 0 H ARG A 96 5.842 4.028 3.977 1.00 0.00 H new ATOM 0 HA ARG A 96 3.800 4.628 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.723 3.057 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.821 4.421 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.639 5.347 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.427 4.084 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.107 3.471 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.209 2.349 8.495 1.00 0.00 H new ATOM 0 HE ARG A 96 8.353 3.291 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.677 5.080 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.098 6.035 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.162 4.510 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.050 5.715 9.713 1.00 0.00 H new ATOM 1458 N ALA A 97 6.012 7.020 5.387 1.00 0.00 N ATOM 1459 CA ALA A 97 6.232 8.467 5.640 1.00 0.00 C ATOM 1460 C ALA A 97 4.983 9.238 5.216 1.00 0.00 C ATOM 1461 O ALA A 97 4.491 10.088 5.933 1.00 0.00 O ATOM 1462 CB ALA A 97 7.432 8.941 4.817 1.00 0.00 C ATOM 0 H ALA A 97 6.704 6.573 4.785 1.00 0.00 H new ATOM 0 HA ALA A 97 6.427 8.639 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.600 10.003 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.319 8.378 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.233 8.780 3.757 1.00 0.00 H new ATOM 1468 N LEU A 98 4.463 8.939 4.060 1.00 0.00 N ATOM 1469 CA LEU A 98 3.239 9.640 3.583 1.00 0.00 C ATOM 1470 C LEU A 98 2.076 9.315 4.521 1.00 0.00 C ATOM 1471 O LEU A 98 1.266 10.163 4.840 1.00 0.00 O ATOM 1472 CB LEU A 98 2.899 9.163 2.168 1.00 0.00 C ATOM 1473 CG LEU A 98 3.980 9.629 1.183 1.00 0.00 C ATOM 1474 CD1 LEU A 98 3.724 8.973 -0.176 1.00 0.00 C ATOM 1475 CD2 LEU A 98 3.952 11.166 1.039 1.00 0.00 C ATOM 0 H LEU A 98 4.835 8.236 3.421 1.00 0.00 H new ATOM 0 HA LEU A 98 3.413 10.716 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.823 8.076 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.928 9.555 1.867 1.00 0.00 H new ATOM 0 HG LEU A 98 4.962 9.339 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.486 9.296 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.764 7.889 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.740 9.266 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.725 11.480 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.976 11.479 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.136 11.626 2.010 1.00 0.00 H new ATOM 1487 N ALA A 99 1.985 8.088 4.954 1.00 0.00 N ATOM 1488 CA ALA A 99 0.870 7.695 5.862 1.00 0.00 C ATOM 1489 C ALA A 99 0.868 8.593 7.096 1.00 0.00 C ATOM 1490 O ALA A 99 -0.151 9.139 7.473 1.00 0.00 O ATOM 1491 CB ALA A 99 1.064 6.241 6.295 1.00 0.00 C ATOM 0 H ALA A 99 2.636 7.339 4.718 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.079 7.802 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.251 5.948 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.064 5.597 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.015 6.141 6.819 1.00 0.00 H new ATOM 1497 N ARG A 100 1.998 8.751 7.733 1.00 0.00 N ATOM 1498 CA ARG A 100 2.054 9.617 8.949 1.00 0.00 C ATOM 1499 C ARG A 100 2.437 11.040 8.544 1.00 0.00 C ATOM 1500 O ARG A 100 1.690 11.974 8.761 1.00 0.00 O ATOM 1501 CB ARG A 100 3.114 9.059 9.904 1.00 0.00 C ATOM 1502 CG ARG A 100 2.755 7.624 10.321 1.00 0.00 C ATOM 1503 CD ARG A 100 1.723 7.637 11.455 1.00 0.00 C ATOM 1504 NE ARG A 100 1.410 6.232 11.846 1.00 0.00 N ATOM 1505 CZ ARG A 100 2.217 5.581 12.637 1.00 0.00 C ATOM 1506 NH1 ARG A 100 3.317 6.145 13.054 1.00 0.00 N ATOM 1507 NH2 ARG A 100 1.933 4.357 12.998 1.00 0.00 N ATOM 0 H ARG A 100 2.883 8.320 7.466 1.00 0.00 H new ATOM 0 HA ARG A 100 1.080 9.631 9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.091 9.071 9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.188 9.694 10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.357 7.079 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.653 7.097 10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.112 8.188 12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.816 8.148 11.132 1.00 0.00 H new ATOM 0 HE ARG A 100 0.565 5.781 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.546 7.095 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.948 5.636 13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.080 3.911 12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.565 3.848 13.617 1.00 0.00 H new ATOM 1521 N LEU A 101 3.588 11.208 7.943 1.00 0.00 N ATOM 1522 CA LEU A 101 4.025 12.571 7.517 1.00 0.00 C ATOM 1523 C LEU A 101 5.362 12.471 6.778 1.00 0.00 C ATOM 1524 O LEU A 101 6.210 11.666 7.105 1.00 0.00 O ATOM 1525 CB LEU A 101 4.200 13.475 8.746 1.00 0.00 C ATOM 1526 CG LEU A 101 4.648 14.880 8.314 1.00 0.00 C ATOM 1527 CD1 LEU A 101 3.616 15.499 7.353 1.00 0.00 C ATOM 1528 CD2 LEU A 101 4.787 15.760 9.560 1.00 0.00 C ATOM 0 H LEU A 101 4.245 10.458 7.729 1.00 0.00 H new ATOM 0 HA LEU A 101 3.267 12.996 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.261 13.538 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.937 13.042 9.422 1.00 0.00 H new ATOM 0 HG LEU A 101 5.605 14.812 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.947 16.494 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.519 14.869 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.651 15.572 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.105 16.760 9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.827 15.820 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.529 15.326 10.231 1.00 0.00 H new ATOM 1540 N GLU A 102 5.553 13.294 5.783 1.00 0.00 N ATOM 1541 CA GLU A 102 6.828 13.261 5.011 1.00 0.00 C ATOM 1542 C GLU A 102 7.902 14.069 5.761 1.00 0.00 C ATOM 1543 O GLU A 102 8.305 13.718 6.853 1.00 0.00 O ATOM 1544 CB GLU A 102 6.582 13.877 3.629 1.00 0.00 C ATOM 1545 CG GLU A 102 7.786 13.619 2.719 1.00 0.00 C ATOM 1546 CD GLU A 102 7.797 12.151 2.288 1.00 0.00 C ATOM 1547 OE1 GLU A 102 6.838 11.459 2.587 1.00 0.00 O ATOM 1548 OE2 GLU A 102 8.766 11.744 1.668 1.00 0.00 O ATOM 0 H GLU A 102 4.877 13.991 5.470 1.00 0.00 H new ATOM 0 HA GLU A 102 7.172 12.233 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.683 13.449 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.411 14.949 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.738 14.266 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.710 13.862 3.244 1.00 0.00 H new ATOM 1555 N HIS A 103 8.363 15.149 5.176 1.00 0.00 N ATOM 1556 CA HIS A 103 9.411 15.996 5.830 1.00 0.00 C ATOM 1557 C HIS A 103 10.473 15.121 6.495 1.00 0.00 C ATOM 1558 O HIS A 103 10.593 13.946 6.214 1.00 0.00 O ATOM 1559 CB HIS A 103 8.764 16.901 6.877 1.00 0.00 C ATOM 1560 CG HIS A 103 7.799 17.832 6.197 1.00 0.00 C ATOM 1561 ND1 HIS A 103 8.220 18.947 5.489 1.00 0.00 N ATOM 1562 CD2 HIS A 103 6.432 17.823 6.105 1.00 0.00 C ATOM 1563 CE1 HIS A 103 7.122 19.559 5.007 1.00 0.00 C ATOM 1564 NE2 HIS A 103 6.005 18.915 5.354 1.00 0.00 N ATOM 0 H HIS A 103 8.054 15.483 4.263 1.00 0.00 H new ATOM 0 HA HIS A 103 9.890 16.607 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.244 16.300 7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.528 17.472 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.784 17.081 6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.142 20.460 4.412 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.045 19.168 5.119 1.00 0.00 H new ATOM 1572 N HIS A 104 11.252 15.694 7.371 1.00 0.00 N ATOM 1573 CA HIS A 104 12.327 14.918 8.060 1.00 0.00 C ATOM 1574 C HIS A 104 11.815 14.420 9.411 1.00 0.00 C ATOM 1575 O HIS A 104 11.144 15.127 10.133 1.00 0.00 O ATOM 1576 CB HIS A 104 13.537 15.830 8.270 1.00 0.00 C ATOM 1577 CG HIS A 104 14.080 16.232 6.928 1.00 0.00 C ATOM 1578 ND1 HIS A 104 14.755 15.340 6.109 1.00 0.00 N ATOM 1579 CD2 HIS A 104 14.047 17.419 6.241 1.00 0.00 C ATOM 1580 CE1 HIS A 104 15.097 15.997 4.987 1.00 0.00 C ATOM 1581 NE2 HIS A 104 14.689 17.269 5.015 1.00 0.00 N ATOM 0 H HIS A 104 11.191 16.675 7.643 1.00 0.00 H new ATOM 0 HA HIS A 104 12.613 14.060 7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.249 16.713 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.303 15.313 8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 104 13.592 18.331 6.597 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.636 15.551 4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.820 17.978 4.293 1.00 0.00 H new ATOM 1589 N HIS A 105 12.123 13.200 9.754 1.00 0.00 N ATOM 1590 CA HIS A 105 11.651 12.645 11.056 1.00 0.00 C ATOM 1591 C HIS A 105 12.641 13.030 12.157 1.00 0.00 C ATOM 1592 O HIS A 105 13.813 12.723 12.083 1.00 0.00 O ATOM 1593 CB HIS A 105 11.570 11.117 10.952 1.00 0.00 C ATOM 1594 CG HIS A 105 12.753 10.602 10.178 1.00 0.00 C ATOM 1595 ND1 HIS A 105 14.014 10.483 10.743 1.00 0.00 N ATOM 1596 CD2 HIS A 105 12.881 10.159 8.884 1.00 0.00 C ATOM 1597 CE1 HIS A 105 14.836 9.985 9.801 1.00 0.00 C ATOM 1598 NE2 HIS A 105 14.197 9.769 8.649 1.00 0.00 N ATOM 0 H HIS A 105 12.682 12.561 9.188 1.00 0.00 H new ATOM 0 HA HIS A 105 10.667 13.048 11.295 1.00 0.00 H new ATOM 0 HB2 HIS A 105 11.553 10.675 11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.644 10.824 10.458 1.00 0.00 H new ATOM 0 HD1 HIS A 105 14.272 10.728 11.699 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.082 10.119 8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.886 9.784 9.958 1.00 0.00 H new ATOM 1606 N HIS A 106 12.175 13.702 13.180 1.00 0.00 N ATOM 1607 CA HIS A 106 13.078 14.118 14.305 1.00 0.00 C ATOM 1608 C HIS A 106 12.501 13.612 15.630 1.00 0.00 C ATOM 1609 O HIS A 106 11.406 13.966 16.018 1.00 0.00 O ATOM 1610 CB HIS A 106 13.167 15.644 14.347 1.00 0.00 C ATOM 1611 CG HIS A 106 14.167 16.052 15.390 1.00 0.00 C ATOM 1612 ND1 HIS A 106 14.039 16.770 16.553 1.00 0.00 N flip ATOM 1613 CD2 HIS A 106 15.506 15.708 15.302 1.00 0.00 C flip ATOM 1614 CE1 HIS A 106 15.279 16.870 17.180 1.00 0.00 C flip ATOM 1615 NE2 HIS A 106 16.127 16.213 16.384 1.00 0.00 N flip ATOM 0 H HIS A 106 11.201 13.984 13.288 1.00 0.00 H new ATOM 0 HA HIS A 106 14.071 13.697 14.150 1.00 0.00 H new ATOM 0 HB2 HIS A 106 13.463 16.030 13.372 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.191 16.071 14.576 1.00 0.00 H new ATOM 0 HD2 HIS A 106 15.968 15.138 14.509 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.506 17.371 18.110 1.00 0.00 H new ATOM 0 HE2 HIS A 106 17.124 16.107 16.573 1.00 0.00 H new ATOM 1623 N HIS A 107 13.229 12.787 16.332 1.00 0.00 N ATOM 1624 CA HIS A 107 12.723 12.259 17.635 1.00 0.00 C ATOM 1625 C HIS A 107 13.907 11.969 18.558 1.00 0.00 C ATOM 1626 O HIS A 107 14.948 11.516 18.126 1.00 0.00 O ATOM 1627 CB HIS A 107 11.940 10.968 17.401 1.00 0.00 C ATOM 1628 CG HIS A 107 11.267 10.564 18.682 1.00 0.00 C ATOM 1629 ND1 HIS A 107 10.154 11.227 19.172 1.00 0.00 N ATOM 1630 CD2 HIS A 107 11.544 9.574 19.592 1.00 0.00 C ATOM 1631 CE1 HIS A 107 9.806 10.636 20.330 1.00 0.00 C ATOM 1632 NE2 HIS A 107 10.620 9.621 20.633 1.00 0.00 N ATOM 0 H HIS A 107 14.154 12.454 16.060 1.00 0.00 H new ATOM 0 HA HIS A 107 12.069 13.001 18.094 1.00 0.00 H new ATOM 0 HB2 HIS A 107 11.198 11.115 16.616 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.610 10.178 17.062 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.356 8.866 19.513 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.970 10.945 20.940 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.575 9.012 21.450 1.00 0.00 H new ATOM 1640 N HIS A 108 13.753 12.224 19.824 1.00 0.00 N ATOM 1641 CA HIS A 108 14.866 11.960 20.779 1.00 0.00 C ATOM 1642 C HIS A 108 14.301 11.853 22.197 1.00 0.00 C ATOM 1643 O HIS A 108 15.001 11.348 23.057 1.00 0.00 O ATOM 1644 CB HIS A 108 15.878 13.106 20.720 1.00 0.00 C ATOM 1645 CG HIS A 108 16.634 13.041 19.422 1.00 0.00 C ATOM 1646 ND1 HIS A 108 16.157 13.624 18.259 1.00 0.00 N ATOM 1647 CD2 HIS A 108 17.834 12.463 19.087 1.00 0.00 C ATOM 1648 CE1 HIS A 108 17.057 13.386 17.288 1.00 0.00 C ATOM 1649 NE2 HIS A 108 18.099 12.682 17.739 1.00 0.00 N ATOM 1650 OXT HIS A 108 13.172 12.276 22.397 1.00 0.00 O ATOM 0 H HIS A 108 12.904 12.605 20.242 1.00 0.00 H new ATOM 0 HA HIS A 108 15.361 11.027 20.510 1.00 0.00 H new ATOM 0 HB2 HIS A 108 15.365 14.064 20.806 1.00 0.00 H new ATOM 0 HB3 HIS A 108 16.570 13.038 21.560 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.475 11.921 19.767 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.950 13.723 16.268 1.00 0.00 H new ATOM 0 HE2 HIS A 108 18.913 12.372 17.209 1.00 0.00 H new TER 1658 HIS A 108