USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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 15 SER OG : rot 102:sc= 0.859 USER MOD Set 1.2: A 17 SER OG : rot 100:sc= 0.451 USER MOD Set 1.3: A 84 LYS NZ :NH3+ 153:sc=-0.00894 (180deg=0) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-1.8!) USER MOD Set 2.2: A 61 THR OG1 : rot 37:sc= 0.0487 USER MOD Set 3.1: A 20 CYS SG : rot -25:sc= -0.161 USER MOD Set 3.2: A 42 CYS SG : rot 180:sc= -3.23! USER MOD Set 3.3: A 43 CYS SG : rot 129:sc= 0.0211 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.196 (180deg=-0.947) USER MOD Single : A 1 MET N :NH3+ -117:sc= -2.1! (180deg=-5.34!) USER MOD Single : A 2 SER OG : rot 121:sc= 0.173 USER MOD Single : A 5 ASN : amide:sc= -3.15! C(o=-3.1!,f=-8!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.441 (180deg=-1.61!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.158) USER MOD Single : A 23 CYS SG : rot 22:sc= 0.00579 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00671 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-4.7!) USER MOD Single : A 46 CYS SG : rot 91:sc= -1.61 USER MOD Single : A 51 MET CE :methyl -159:sc= -0.0253 (180deg=-0.339) USER MOD Single : A 52 ASN : amide:sc= -3.19! K(o=-3.2!,f=-0.18) USER MOD Single : A 53 MET CE :methyl -159:sc= -5.97! (180deg=-8.52!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -101:sc= -3.43! (180deg=-6.94!) USER MOD Single : A 64 HIS : no HD1:sc=-0.00313 X(o=-0.0031,f=-0.29) USER MOD Single : A 65 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.59 K(o=-0.59,f=-0.0092) USER MOD Single : A 74 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.51!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 80 ASN : amide:sc= -2.5! C(o=-2.5!,f=-9.5!) USER MOD Single : A 85 ASN : amide:sc= -4.49! C(o=-4.5!,f=-6.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 149:sc= -5.85! (180deg=-7.64!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.186 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.941 14.994 -7.446 1.00 0.00 N ATOM 2 CA MET A 1 4.920 15.009 -6.414 1.00 0.00 C ATOM 3 C MET A 1 5.057 13.798 -5.489 1.00 0.00 C ATOM 4 O MET A 1 5.720 12.821 -5.834 1.00 0.00 O ATOM 5 CB MET A 1 3.535 15.000 -7.065 1.00 0.00 C ATOM 6 CG MET A 1 3.269 13.669 -7.771 1.00 0.00 C ATOM 7 SD MET A 1 4.148 13.616 -9.324 1.00 0.00 S ATOM 8 CE MET A 1 3.204 14.811 -10.255 1.00 0.00 C ATOM 0 H1 MET A 1 6.555 15.827 -7.339 1.00 0.00 H new ATOM 0 H2 MET A 1 6.512 14.129 -7.357 1.00 0.00 H new ATOM 0 H3 MET A 1 5.489 15.015 -8.382 1.00 0.00 H new ATOM 0 HA MET A 1 5.046 15.913 -5.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.772 15.172 -6.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.461 15.817 -7.782 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.585 12.841 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.200 13.547 -7.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.242 14.559 -11.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.168 14.800 -9.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.625 15.805 -10.103 1.00 0.00 H new ATOM 16 N SER A 2 4.418 13.900 -4.334 1.00 0.00 N ATOM 17 CA SER A 2 4.460 12.824 -3.356 1.00 0.00 C ATOM 18 C SER A 2 3.060 12.240 -3.160 1.00 0.00 C ATOM 19 O SER A 2 2.164 12.921 -2.663 1.00 0.00 O ATOM 20 CB SER A 2 5.023 13.315 -2.021 1.00 0.00 C ATOM 21 OG SER A 2 4.919 14.731 -1.886 1.00 0.00 O ATOM 0 H SER A 2 3.868 14.711 -4.052 1.00 0.00 H new ATOM 0 HA SER A 2 5.122 12.044 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.489 12.833 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.069 13.019 -1.937 1.00 0.00 H new ATOM 0 HG SER A 2 4.377 14.946 -1.098 1.00 0.00 H new ATOM 26 N GLU A 3 2.915 10.986 -3.561 1.00 0.00 N ATOM 27 CA GLU A 3 1.639 10.303 -3.436 1.00 0.00 C ATOM 28 C GLU A 3 1.858 8.829 -3.091 1.00 0.00 C ATOM 29 O GLU A 3 2.722 8.173 -3.671 1.00 0.00 O ATOM 30 CB GLU A 3 0.810 10.450 -4.714 1.00 0.00 C ATOM 31 CG GLU A 3 1.700 10.805 -5.906 1.00 0.00 C ATOM 32 CD GLU A 3 2.618 9.636 -6.273 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.846 9.801 -6.312 1.00 0.00 O ATOM 34 OE2 GLU A 3 2.011 8.525 -6.521 1.00 0.00 O ATOM 0 H GLU A 3 3.660 10.425 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 3 1.079 10.767 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.279 9.520 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.055 11.224 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.079 11.067 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.301 11.683 -5.667 1.00 0.00 H new ATOM 40 N VAL A 4 1.061 8.350 -2.147 1.00 0.00 N ATOM 41 CA VAL A 4 1.157 6.965 -1.717 1.00 0.00 C ATOM 42 C VAL A 4 -0.139 6.234 -2.074 1.00 0.00 C ATOM 43 O VAL A 4 -1.220 6.632 -1.642 1.00 0.00 O ATOM 44 CB VAL A 4 1.487 6.902 -0.225 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.572 7.829 0.579 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.404 5.466 0.295 1.00 0.00 C ATOM 0 H VAL A 4 0.346 8.897 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 4 1.970 6.459 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 4 2.513 7.247 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.828 7.765 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.702 8.855 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.466 7.528 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.643 5.450 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.395 5.082 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.115 4.841 -0.246 1.00 0.00 H new ATOM 56 N ASN A 5 0.013 5.179 -2.860 1.00 0.00 N ATOM 57 CA ASN A 5 -1.132 4.387 -3.280 1.00 0.00 C ATOM 58 C ASN A 5 -0.823 2.903 -3.079 1.00 0.00 C ATOM 59 O ASN A 5 0.210 2.413 -3.531 1.00 0.00 O ATOM 60 CB ASN A 5 -1.440 4.610 -4.762 1.00 0.00 C ATOM 61 CG ASN A 5 -1.078 6.033 -5.191 1.00 0.00 C ATOM 62 OD1 ASN A 5 -1.043 6.959 -4.397 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.810 6.155 -6.488 1.00 0.00 N ATOM 0 H ASN A 5 0.911 4.853 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.991 4.692 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.883 3.892 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.499 4.429 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.557 7.065 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.858 5.339 -7.098 1.00 0.00 H new ATOM 69 N ILE A 6 -1.739 2.229 -2.398 1.00 0.00 N ATOM 70 CA ILE A 6 -1.577 0.810 -2.131 1.00 0.00 C ATOM 71 C ILE A 6 -2.908 0.095 -2.372 1.00 0.00 C ATOM 72 O ILE A 6 -3.967 0.613 -2.021 1.00 0.00 O ATOM 73 CB ILE A 6 -1.005 0.590 -0.728 1.00 0.00 C ATOM 74 CG1 ILE A 6 -0.485 -0.839 -0.566 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.034 0.951 0.345 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.738 -0.876 0.354 1.00 0.00 C ATOM 0 H ILE A 6 -2.595 2.639 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.851 0.374 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.154 1.258 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.272 -1.472 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.223 -1.247 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.603 0.786 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.315 1.999 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.919 0.325 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.088 -1.903 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.532 -0.261 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.466 -0.490 1.336 1.00 0.00 H new ATOM 87 N VAL A 7 -2.810 -1.085 -2.967 1.00 0.00 N ATOM 88 CA VAL A 7 -3.994 -1.876 -3.258 1.00 0.00 C ATOM 89 C VAL A 7 -3.699 -3.350 -2.974 1.00 0.00 C ATOM 90 O VAL A 7 -2.651 -3.863 -3.363 1.00 0.00 O ATOM 91 CB VAL A 7 -4.451 -1.625 -4.696 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.257 -1.587 -5.652 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.474 -2.672 -5.138 1.00 0.00 C ATOM 0 H VAL A 7 -1.930 -1.512 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.820 -1.579 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.936 -0.650 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.610 -1.407 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.579 -0.786 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.730 -2.541 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.782 -2.470 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.026 -3.664 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.344 -2.630 -4.483 1.00 0.00 H new ATOM 103 N VAL A 8 -4.642 -3.990 -2.298 1.00 0.00 N ATOM 104 CA VAL A 8 -4.496 -5.395 -1.958 1.00 0.00 C ATOM 105 C VAL A 8 -5.761 -6.150 -2.374 1.00 0.00 C ATOM 106 O VAL A 8 -6.868 -5.764 -2.005 1.00 0.00 O ATOM 107 CB VAL A 8 -4.175 -5.542 -0.469 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.632 -6.904 0.058 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.683 -5.325 -0.206 1.00 0.00 C ATOM 0 H VAL A 8 -5.510 -3.561 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.661 -5.835 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.726 -4.772 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.392 -6.983 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.709 -7.005 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.121 -7.696 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.482 -5.435 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.104 -6.062 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.399 -4.323 -0.527 1.00 0.00 H new ATOM 119 N ASN A 9 -5.552 -7.214 -3.137 1.00 0.00 N ATOM 120 CA ASN A 9 -6.661 -8.025 -3.607 1.00 0.00 C ATOM 121 C ASN A 9 -6.559 -9.423 -2.994 1.00 0.00 C ATOM 122 O ASN A 9 -5.668 -10.195 -3.343 1.00 0.00 O ATOM 123 CB ASN A 9 -6.629 -8.174 -5.130 1.00 0.00 C ATOM 124 CG ASN A 9 -7.980 -7.809 -5.746 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.182 -6.725 -6.267 1.00 0.00 O ATOM 126 ND2 ASN A 9 -8.893 -8.773 -5.656 1.00 0.00 N ATOM 0 H ASN A 9 -4.632 -7.532 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.588 -7.532 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.851 -7.533 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.371 -9.200 -5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.828 -8.627 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.658 -9.658 -5.207 1.00 0.00 H new ATOM 132 N GLY A 10 -7.486 -9.708 -2.090 1.00 0.00 N ATOM 133 CA GLY A 10 -7.512 -10.998 -1.425 1.00 0.00 C ATOM 134 C GLY A 10 -6.162 -11.307 -0.775 1.00 0.00 C ATOM 135 O GLY A 10 -5.482 -12.254 -1.167 1.00 0.00 O ATOM 0 H GLY A 10 -8.225 -9.066 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.295 -11.004 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.760 -11.778 -2.145 1.00 0.00 H new ATOM 139 N ARG A 11 -5.814 -10.490 0.209 1.00 0.00 N ATOM 140 CA ARG A 11 -4.558 -10.664 0.918 1.00 0.00 C ATOM 141 C ARG A 11 -3.459 -11.110 -0.050 1.00 0.00 C ATOM 142 O ARG A 11 -2.875 -12.179 0.117 1.00 0.00 O ATOM 143 CB ARG A 11 -4.694 -11.702 2.034 1.00 0.00 C ATOM 144 CG ARG A 11 -6.031 -11.549 2.763 1.00 0.00 C ATOM 145 CD ARG A 11 -6.891 -12.804 2.599 1.00 0.00 C ATOM 146 NE ARG A 11 -7.843 -12.917 3.726 1.00 0.00 N ATOM 147 CZ ARG A 11 -8.040 -14.045 4.441 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.351 -15.168 4.150 1.00 0.00 N ATOM 149 NH2 ARG A 11 -8.916 -14.033 5.428 1.00 0.00 N ATOM 0 H ARG A 11 -6.381 -9.706 0.532 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.292 -9.704 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.617 -12.705 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.874 -11.589 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.853 -11.362 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.566 -10.684 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.435 -12.761 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.255 -13.688 2.560 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.385 -12.090 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.676 -15.168 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.505 -16.016 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.433 -13.180 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.076 -14.877 5.978 1.00 0.00 H new ATOM 159 N GLU A 12 -3.211 -10.266 -1.041 1.00 0.00 N ATOM 160 CA GLU A 12 -2.194 -10.558 -2.036 1.00 0.00 C ATOM 161 C GLU A 12 -0.815 -10.136 -1.526 1.00 0.00 C ATOM 162 O GLU A 12 -0.563 -8.950 -1.315 1.00 0.00 O ATOM 163 CB GLU A 12 -2.517 -9.879 -3.368 1.00 0.00 C ATOM 164 CG GLU A 12 -1.333 -9.970 -4.332 1.00 0.00 C ATOM 165 CD GLU A 12 -1.802 -9.890 -5.787 1.00 0.00 C ATOM 166 OE1 GLU A 12 -2.743 -9.143 -6.094 1.00 0.00 O ATOM 167 OE2 GLU A 12 -1.152 -10.638 -6.612 1.00 0.00 O ATOM 0 H GLU A 12 -3.697 -9.380 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.182 -11.634 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.392 -10.349 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.770 -8.833 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.630 -9.162 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.798 -10.906 -4.170 1.00 0.00 H new ATOM 173 N ALA A 13 0.042 -11.129 -1.340 1.00 0.00 N ATOM 174 CA ALA A 13 1.389 -10.875 -0.859 1.00 0.00 C ATOM 175 C ALA A 13 2.392 -11.180 -1.973 1.00 0.00 C ATOM 176 O ALA A 13 2.003 -11.577 -3.071 1.00 0.00 O ATOM 177 CB ALA A 13 1.646 -11.706 0.401 1.00 0.00 C ATOM 0 H ALA A 13 -0.171 -12.111 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 13 1.508 -9.826 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.657 -11.516 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.927 -11.430 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.538 -12.765 0.167 1.00 0.00 H new ATOM 183 N GLY A 14 3.662 -10.983 -1.653 1.00 0.00 N ATOM 184 CA GLY A 14 4.723 -11.231 -2.614 1.00 0.00 C ATOM 185 C GLY A 14 5.865 -10.229 -2.442 1.00 0.00 C ATOM 186 O GLY A 14 6.548 -9.887 -3.407 1.00 0.00 O ATOM 0 H GLY A 14 3.980 -10.654 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.102 -12.245 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.325 -11.163 -3.626 1.00 0.00 H new ATOM 190 N SER A 15 6.040 -9.786 -1.205 1.00 0.00 N ATOM 191 CA SER A 15 7.088 -8.829 -0.893 1.00 0.00 C ATOM 192 C SER A 15 7.450 -8.914 0.590 1.00 0.00 C ATOM 193 O SER A 15 6.855 -9.693 1.335 1.00 0.00 O ATOM 194 CB SER A 15 6.660 -7.405 -1.255 1.00 0.00 C ATOM 195 OG SER A 15 5.389 -7.074 -0.702 1.00 0.00 O ATOM 0 H SER A 15 5.473 -10.073 -0.407 1.00 0.00 H new ATOM 0 HA SER A 15 7.966 -9.078 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.408 -6.699 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.622 -7.302 -2.339 1.00 0.00 H new ATOM 0 HG SER A 15 5.514 -6.518 0.096 1.00 0.00 H new ATOM 200 N LYS A 16 8.424 -8.103 0.977 1.00 0.00 N ATOM 201 CA LYS A 16 8.872 -8.077 2.359 1.00 0.00 C ATOM 202 C LYS A 16 8.032 -7.067 3.143 1.00 0.00 C ATOM 203 O LYS A 16 8.325 -6.778 4.302 1.00 0.00 O ATOM 204 CB LYS A 16 10.376 -7.812 2.429 1.00 0.00 C ATOM 205 CG LYS A 16 11.140 -8.727 1.470 1.00 0.00 C ATOM 206 CD LYS A 16 12.180 -7.939 0.671 1.00 0.00 C ATOM 207 CE LYS A 16 11.524 -7.178 -0.483 1.00 0.00 C ATOM 208 NZ LYS A 16 11.162 -5.807 -0.060 1.00 0.00 N ATOM 0 H LYS A 16 8.915 -7.459 0.357 1.00 0.00 H new ATOM 0 HA LYS A 16 8.721 -9.050 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.577 -6.770 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.730 -7.971 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.633 -9.519 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.441 -9.209 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.694 -7.238 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.935 -8.620 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.206 -7.135 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.633 -7.709 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.223 -5.165 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.191 -5.804 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.818 -5.488 0.681 1.00 0.00 H new ATOM 217 N SER A 17 7.004 -6.557 2.480 1.00 0.00 N ATOM 218 CA SER A 17 6.120 -5.586 3.101 1.00 0.00 C ATOM 219 C SER A 17 5.300 -6.255 4.205 1.00 0.00 C ATOM 220 O SER A 17 4.771 -5.579 5.086 1.00 0.00 O ATOM 221 CB SER A 17 5.194 -4.943 2.066 1.00 0.00 C ATOM 222 OG SER A 17 4.585 -5.915 1.219 1.00 0.00 O ATOM 0 H SER A 17 6.764 -6.798 1.519 1.00 0.00 H new ATOM 0 HA SER A 17 6.732 -4.798 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.420 -4.371 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.762 -4.238 1.459 1.00 0.00 H new ATOM 0 HG SER A 17 3.672 -6.091 1.527 1.00 0.00 H new ATOM 227 N LYS A 18 5.219 -7.574 4.121 1.00 0.00 N ATOM 228 CA LYS A 18 4.472 -8.343 5.102 1.00 0.00 C ATOM 229 C LYS A 18 5.224 -8.329 6.435 1.00 0.00 C ATOM 230 O LYS A 18 4.726 -8.835 7.439 1.00 0.00 O ATOM 231 CB LYS A 18 4.184 -9.750 4.574 1.00 0.00 C ATOM 232 CG LYS A 18 3.499 -9.692 3.207 1.00 0.00 C ATOM 233 CD LYS A 18 1.993 -9.927 3.336 1.00 0.00 C ATOM 234 CE LYS A 18 1.284 -8.670 3.842 1.00 0.00 C ATOM 235 NZ LYS A 18 0.207 -8.270 2.909 1.00 0.00 N ATOM 0 H LYS A 18 5.659 -8.131 3.388 1.00 0.00 H new ATOM 0 HA LYS A 18 3.497 -7.888 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.115 -10.310 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.549 -10.285 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.681 -8.721 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.932 -10.444 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.582 -10.216 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.808 -10.754 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.866 -8.855 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.003 -7.857 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.421 -7.585 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.625 -7.834 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.341 -9.109 2.631 1.00 0.00 H new ATOM 244 N GLY A 19 6.412 -7.742 6.402 1.00 0.00 N ATOM 245 CA GLY A 19 7.237 -7.655 7.593 1.00 0.00 C ATOM 246 C GLY A 19 7.106 -6.280 8.253 1.00 0.00 C ATOM 247 O GLY A 19 6.035 -5.919 8.736 1.00 0.00 O ATOM 0 H GLY A 19 6.822 -7.322 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.944 -8.431 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.279 -7.839 7.332 1.00 0.00 H new ATOM 251 N CYS A 20 8.213 -5.551 8.251 1.00 0.00 N ATOM 252 CA CYS A 20 8.235 -4.224 8.842 1.00 0.00 C ATOM 253 C CYS A 20 8.766 -3.241 7.797 1.00 0.00 C ATOM 254 O CYS A 20 9.385 -3.648 6.815 1.00 0.00 O ATOM 255 CB CYS A 20 9.062 -4.191 10.128 1.00 0.00 C ATOM 256 SG CYS A 20 8.484 -5.493 11.277 1.00 0.00 S ATOM 0 H CYS A 20 9.100 -5.854 7.850 1.00 0.00 H new ATOM 0 HA CYS A 20 7.224 -3.935 9.130 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.116 -4.341 9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.976 -3.213 10.601 1.00 0.00 H new ATOM 0 HG CYS A 20 7.244 -5.784 11.015 1.00 0.00 H new ATOM 261 N ALA A 21 8.506 -1.965 8.043 1.00 0.00 N ATOM 262 CA ALA A 21 8.949 -0.921 7.136 1.00 0.00 C ATOM 263 C ALA A 21 10.478 -0.909 7.089 1.00 0.00 C ATOM 264 O ALA A 21 11.070 -0.710 6.028 1.00 0.00 O ATOM 265 CB ALA A 21 8.369 0.423 7.580 1.00 0.00 C ATOM 0 H ALA A 21 7.993 -1.631 8.859 1.00 0.00 H new ATOM 0 HA ALA A 21 8.589 -1.113 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.702 1.206 6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.280 0.371 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.711 0.651 8.590 1.00 0.00 H new ATOM 271 N LEU A 22 11.076 -1.125 8.251 1.00 0.00 N ATOM 272 CA LEU A 22 12.525 -1.142 8.356 1.00 0.00 C ATOM 273 C LEU A 22 13.072 -2.366 7.618 1.00 0.00 C ATOM 274 O LEU A 22 13.852 -2.232 6.677 1.00 0.00 O ATOM 275 CB LEU A 22 12.958 -1.064 9.822 1.00 0.00 C ATOM 276 CG LEU A 22 14.408 -0.646 10.072 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.376 -1.766 9.683 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.733 0.666 9.355 1.00 0.00 C ATOM 0 H LEU A 22 10.583 -1.290 9.129 1.00 0.00 H new ATOM 0 HA LEU A 22 12.951 -0.262 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.304 -0.360 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.798 -2.040 10.280 1.00 0.00 H new ATOM 0 HG LEU A 22 14.532 -0.468 11.140 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.400 -1.443 9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.161 -2.655 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.257 -1.999 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.770 0.940 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.586 0.540 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.075 1.454 9.722 1.00 0.00 H new ATOM 289 N CYS A 23 12.642 -3.533 8.075 1.00 0.00 N ATOM 290 CA CYS A 23 13.077 -4.780 7.471 1.00 0.00 C ATOM 291 C CYS A 23 11.942 -5.799 7.598 1.00 0.00 C ATOM 292 O CYS A 23 11.130 -5.715 8.517 1.00 0.00 O ATOM 293 CB CYS A 23 14.376 -5.290 8.099 1.00 0.00 C ATOM 294 SG CYS A 23 14.126 -5.602 9.885 1.00 0.00 S ATOM 0 H CYS A 23 11.996 -3.641 8.857 1.00 0.00 H new ATOM 0 HA CYS A 23 13.300 -4.617 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.695 -6.206 7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.171 -4.558 7.957 1.00 0.00 H new ATOM 0 HG CYS A 23 12.860 -5.777 10.122 1.00 0.00 H new ATOM 299 N GLY A 24 11.925 -6.737 6.663 1.00 0.00 N ATOM 300 CA GLY A 24 10.904 -7.771 6.659 1.00 0.00 C ATOM 301 C GLY A 24 11.532 -9.162 6.748 1.00 0.00 C ATOM 302 O GLY A 24 11.998 -9.702 5.746 1.00 0.00 O ATOM 0 H GLY A 24 12.602 -6.803 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.225 -7.620 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.308 -7.695 5.750 1.00 0.00 H new ATOM 306 N ALA A 25 11.524 -9.705 7.957 1.00 0.00 N ATOM 307 CA ALA A 25 12.088 -11.023 8.191 1.00 0.00 C ATOM 308 C ALA A 25 10.958 -12.011 8.491 1.00 0.00 C ATOM 309 O ALA A 25 11.179 -13.220 8.528 1.00 0.00 O ATOM 310 CB ALA A 25 13.113 -10.949 9.324 1.00 0.00 C ATOM 0 H ALA A 25 11.135 -9.255 8.786 1.00 0.00 H new ATOM 0 HA ALA A 25 12.611 -11.378 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.535 -11.939 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.910 -10.258 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.625 -10.597 10.233 1.00 0.00 H new ATOM 316 N THR A 26 9.772 -11.458 8.697 1.00 0.00 N ATOM 317 CA THR A 26 8.608 -12.274 8.993 1.00 0.00 C ATOM 318 C THR A 26 7.444 -11.897 8.072 1.00 0.00 C ATOM 319 O THR A 26 7.261 -10.725 7.746 1.00 0.00 O ATOM 320 CB THR A 26 8.282 -12.113 10.479 1.00 0.00 C ATOM 321 OG1 THR A 26 9.494 -12.467 11.140 1.00 0.00 O ATOM 322 CG2 THR A 26 7.272 -13.152 10.973 1.00 0.00 C ATOM 0 H THR A 26 9.592 -10.454 8.665 1.00 0.00 H new ATOM 0 HA THR A 26 8.806 -13.329 8.801 1.00 0.00 H new ATOM 0 HB THR A 26 7.890 -11.112 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.373 -12.389 12.109 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.076 -12.993 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.342 -13.051 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.678 -14.153 10.825 1.00 0.00 H new ATOM 330 N TRP A 27 6.689 -12.912 7.681 1.00 0.00 N ATOM 331 CA TRP A 27 5.549 -12.702 6.805 1.00 0.00 C ATOM 332 C TRP A 27 4.383 -13.541 7.335 1.00 0.00 C ATOM 333 O TRP A 27 4.596 -14.579 7.961 1.00 0.00 O ATOM 334 CB TRP A 27 5.906 -13.026 5.353 1.00 0.00 C ATOM 335 CG TRP A 27 7.410 -13.109 5.085 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.331 -12.148 5.247 1.00 0.00 C ATOM 337 CD2 TRP A 27 8.135 -14.258 4.600 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.590 -12.594 4.903 1.00 0.00 N ATOM 339 CE2 TRP A 27 9.468 -13.917 4.496 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.679 -15.545 4.260 1.00 0.00 C ATOM 341 CZ2 TRP A 27 10.454 -14.806 4.053 1.00 0.00 C ATOM 342 CZ3 TRP A 27 8.678 -16.421 3.817 1.00 0.00 C ATOM 343 CH2 TRP A 27 10.024 -16.092 3.708 1.00 0.00 C ATOM 0 H TRP A 27 6.844 -13.882 7.954 1.00 0.00 H new ATOM 0 HA TRP A 27 5.252 -11.653 6.805 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.446 -13.976 5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.473 -12.264 4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.114 -11.151 5.602 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.453 -12.052 4.941 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.641 -15.834 4.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 11.492 -14.515 3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.382 -17.422 3.541 1.00 0.00 H new ATOM 0 HH2 TRP A 27 10.735 -16.826 3.358 1.00 0.00 H new ATOM 353 N GLY A 28 3.179 -13.060 7.066 1.00 0.00 N ATOM 354 CA GLY A 28 1.980 -13.752 7.509 1.00 0.00 C ATOM 355 C GLY A 28 0.722 -13.068 6.972 1.00 0.00 C ATOM 356 O GLY A 28 0.729 -11.866 6.709 1.00 0.00 O ATOM 0 H GLY A 28 3.007 -12.199 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.008 -14.788 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.950 -13.773 8.598 1.00 0.00 H new ATOM 360 N ASP A 29 -0.329 -13.861 6.825 1.00 0.00 N ATOM 361 CA ASP A 29 -1.592 -13.347 6.326 1.00 0.00 C ATOM 362 C ASP A 29 -2.492 -12.980 7.507 1.00 0.00 C ATOM 363 O ASP A 29 -3.346 -12.103 7.393 1.00 0.00 O ATOM 364 CB ASP A 29 -2.321 -14.396 5.485 1.00 0.00 C ATOM 365 CG ASP A 29 -3.840 -14.230 5.416 1.00 0.00 C ATOM 366 OD1 ASP A 29 -4.353 -13.304 4.770 1.00 0.00 O ATOM 367 OD2 ASP A 29 -4.515 -15.113 6.072 1.00 0.00 O ATOM 0 H ASP A 29 -0.331 -14.857 7.043 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.379 -12.474 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.921 -14.368 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.097 -15.383 5.889 1.00 0.00 H new ATOM 372 N TYR A 30 -2.270 -13.671 8.615 1.00 0.00 N ATOM 373 CA TYR A 30 -3.050 -13.429 9.818 1.00 0.00 C ATOM 374 C TYR A 30 -3.033 -11.946 10.194 1.00 0.00 C ATOM 375 O TYR A 30 -3.883 -11.485 10.954 1.00 0.00 O ATOM 376 CB TYR A 30 -2.372 -14.233 10.929 1.00 0.00 C ATOM 377 CG TYR A 30 -3.348 -14.862 11.926 1.00 0.00 C ATOM 378 CD1 TYR A 30 -4.407 -15.622 11.469 1.00 0.00 C ATOM 379 CD2 TYR A 30 -3.170 -14.670 13.281 1.00 0.00 C ATOM 380 CE1 TYR A 30 -5.325 -16.213 12.407 1.00 0.00 C ATOM 381 CE2 TYR A 30 -4.089 -15.263 14.219 1.00 0.00 C ATOM 382 CZ TYR A 30 -5.121 -16.005 13.736 1.00 0.00 C ATOM 383 OH TYR A 30 -5.988 -16.564 14.621 1.00 0.00 O ATOM 0 H TYR A 30 -1.561 -14.399 8.706 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.089 -13.720 9.666 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.771 -15.022 10.477 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.687 -13.580 11.470 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.546 -15.773 10.409 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.342 -14.075 13.638 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.158 -16.809 12.063 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.961 -15.121 15.282 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.718 -16.332 15.534 1.00 0.00 H new ATOM 392 N HIS A 31 -2.055 -11.241 9.644 1.00 0.00 N ATOM 393 CA HIS A 31 -1.916 -9.820 9.912 1.00 0.00 C ATOM 394 C HIS A 31 -2.304 -9.022 8.667 1.00 0.00 C ATOM 395 O HIS A 31 -2.666 -9.600 7.643 1.00 0.00 O ATOM 396 CB HIS A 31 -0.504 -9.496 10.408 1.00 0.00 C ATOM 397 CG HIS A 31 0.270 -10.701 10.886 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.225 -11.335 10.110 1.00 0.00 N ATOM 399 CD2 HIS A 31 0.223 -11.379 12.068 1.00 0.00 C ATOM 400 CE1 HIS A 31 1.721 -12.349 10.803 1.00 0.00 C ATOM 401 NE2 HIS A 31 1.098 -12.375 12.017 1.00 0.00 N ATOM 0 H HIS A 31 -1.352 -11.627 9.014 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.596 -9.530 10.713 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.052 -9.016 9.603 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.572 -8.774 11.222 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.418 -11.145 12.905 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.484 -13.035 10.466 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.276 -13.049 12.762 1.00 0.00 H new ATOM 408 N ALA A 32 -2.215 -7.705 8.794 1.00 0.00 N ATOM 409 CA ALA A 32 -2.553 -6.823 7.691 1.00 0.00 C ATOM 410 C ALA A 32 -1.373 -5.888 7.411 1.00 0.00 C ATOM 411 O ALA A 32 -0.440 -5.808 8.207 1.00 0.00 O ATOM 412 CB ALA A 32 -3.835 -6.058 8.023 1.00 0.00 C ATOM 0 H ALA A 32 -1.914 -7.229 9.644 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.742 -7.398 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.088 -5.396 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.649 -6.765 8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.683 -5.467 8.926 1.00 0.00 H new ATOM 418 N ASP A 33 -1.455 -5.208 6.277 1.00 0.00 N ATOM 419 CA ASP A 33 -0.406 -4.284 5.883 1.00 0.00 C ATOM 420 C ASP A 33 -0.967 -2.860 5.865 1.00 0.00 C ATOM 421 O ASP A 33 -2.181 -2.668 5.879 1.00 0.00 O ATOM 422 CB ASP A 33 0.113 -4.606 4.479 1.00 0.00 C ATOM 423 CG ASP A 33 1.624 -4.451 4.297 1.00 0.00 C ATOM 424 OD1 ASP A 33 2.126 -4.365 3.167 1.00 0.00 O ATOM 425 OD2 ASP A 33 2.305 -4.419 5.393 1.00 0.00 O ATOM 0 H ASP A 33 -2.231 -5.279 5.619 1.00 0.00 H new ATOM 0 HA ASP A 33 0.411 -4.375 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.164 -5.631 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.392 -3.957 3.764 1.00 0.00 H new ATOM 430 N PHE A 34 -0.054 -1.901 5.833 1.00 0.00 N ATOM 431 CA PHE A 34 -0.443 -0.499 5.813 1.00 0.00 C ATOM 432 C PHE A 34 -0.013 0.170 4.505 1.00 0.00 C ATOM 433 O PHE A 34 0.581 -0.472 3.641 1.00 0.00 O ATOM 434 CB PHE A 34 0.275 0.181 6.980 1.00 0.00 C ATOM 435 CG PHE A 34 -0.496 0.128 8.300 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.479 -0.794 8.477 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.199 1.005 9.297 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.195 -0.844 9.703 1.00 0.00 C ATOM 439 CE2 PHE A 34 -0.914 0.956 10.522 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.898 0.033 10.700 1.00 0.00 C ATOM 0 H PHE A 34 0.953 -2.065 5.820 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.526 -0.412 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.247 -0.291 7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.461 1.223 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.716 -1.489 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.581 1.739 9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.975 -1.578 9.844 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.677 1.652 11.313 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.443 -0.003 11.632 1.00 0.00 H new ATOM 449 N LEU A 35 -0.332 1.451 4.402 1.00 0.00 N ATOM 450 CA LEU A 35 0.014 2.214 3.215 1.00 0.00 C ATOM 451 C LEU A 35 1.524 2.133 2.982 1.00 0.00 C ATOM 452 O LEU A 35 1.985 2.199 1.844 1.00 0.00 O ATOM 453 CB LEU A 35 -0.514 3.646 3.326 1.00 0.00 C ATOM 454 CG LEU A 35 -1.891 3.903 2.709 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.631 5.010 3.462 1.00 0.00 C ATOM 456 CD2 LEU A 35 -1.775 4.206 1.215 1.00 0.00 C ATOM 0 H LEU A 35 -0.826 1.980 5.121 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.468 1.787 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.554 3.916 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.205 4.315 2.853 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.484 2.994 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.606 5.173 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.764 4.716 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.051 5.931 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.768 4.385 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.157 5.092 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.318 3.358 0.706 1.00 0.00 H new ATOM 467 N GLY A 36 2.253 1.990 4.079 1.00 0.00 N ATOM 468 CA GLY A 36 3.701 1.899 4.010 1.00 0.00 C ATOM 469 C GLY A 36 4.149 0.455 3.772 1.00 0.00 C ATOM 470 O GLY A 36 5.248 0.070 4.164 1.00 0.00 O ATOM 0 H GLY A 36 1.867 1.935 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.071 2.536 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.137 2.271 4.937 1.00 0.00 H new ATOM 474 N GLU A 37 3.272 -0.305 3.132 1.00 0.00 N ATOM 475 CA GLU A 37 3.562 -1.697 2.837 1.00 0.00 C ATOM 476 C GLU A 37 4.453 -2.297 3.928 1.00 0.00 C ATOM 477 O GLU A 37 5.530 -2.814 3.639 1.00 0.00 O ATOM 478 CB GLU A 37 4.211 -1.843 1.459 1.00 0.00 C ATOM 479 CG GLU A 37 5.582 -1.166 1.424 1.00 0.00 C ATOM 480 CD GLU A 37 6.575 -1.980 0.592 1.00 0.00 C ATOM 481 OE1 GLU A 37 6.162 -2.736 -0.299 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.816 -1.804 0.897 1.00 0.00 O ATOM 0 H GLU A 37 2.360 0.018 2.810 1.00 0.00 H new ATOM 0 HA GLU A 37 2.621 -2.247 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.317 -2.900 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.564 -1.402 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.486 -0.164 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.961 -1.052 2.440 1.00 0.00 H new ATOM 488 N ASP A 38 3.970 -2.204 5.158 1.00 0.00 N ATOM 489 CA ASP A 38 4.708 -2.730 6.293 1.00 0.00 C ATOM 490 C ASP A 38 3.728 -3.355 7.288 1.00 0.00 C ATOM 491 O ASP A 38 2.577 -2.931 7.380 1.00 0.00 O ATOM 492 CB ASP A 38 5.472 -1.620 7.015 1.00 0.00 C ATOM 493 CG ASP A 38 4.610 -0.455 7.505 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.422 -0.352 7.164 1.00 0.00 O ATOM 495 OD2 ASP A 38 5.214 0.382 8.279 1.00 0.00 O ATOM 0 H ASP A 38 3.076 -1.772 5.393 1.00 0.00 H new ATOM 0 HA ASP A 38 5.415 -3.471 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.991 -2.053 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.236 -1.229 6.343 1.00 0.00 H new ATOM 500 N LEU A 39 4.221 -4.352 8.008 1.00 0.00 N ATOM 501 CA LEU A 39 3.403 -5.039 8.994 1.00 0.00 C ATOM 502 C LEU A 39 3.844 -4.621 10.397 1.00 0.00 C ATOM 503 O LEU A 39 4.999 -4.816 10.772 1.00 0.00 O ATOM 504 CB LEU A 39 3.441 -6.551 8.761 1.00 0.00 C ATOM 505 CG LEU A 39 2.143 -7.308 9.052 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.408 -8.804 9.228 1.00 0.00 C ATOM 507 CD2 LEU A 39 1.417 -6.707 10.258 1.00 0.00 C ATOM 0 H LEU A 39 5.176 -4.701 7.929 1.00 0.00 H new ATOM 0 HA LEU A 39 2.357 -4.750 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.718 -6.732 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.232 -6.974 9.380 1.00 0.00 H new ATOM 0 HG LEU A 39 1.483 -7.198 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.469 -9.318 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.849 -9.205 8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.095 -8.956 10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.498 -7.263 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.060 -6.765 11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.175 -5.664 10.054 1.00 0.00 H new ATOM 518 N PHE A 40 2.901 -4.055 11.135 1.00 0.00 N ATOM 519 CA PHE A 40 3.178 -3.608 12.490 1.00 0.00 C ATOM 520 C PHE A 40 2.569 -4.563 13.518 1.00 0.00 C ATOM 521 O PHE A 40 3.003 -4.601 14.668 1.00 0.00 O ATOM 522 CB PHE A 40 2.533 -2.230 12.647 1.00 0.00 C ATOM 523 CG PHE A 40 1.031 -2.275 12.935 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.146 -2.390 11.908 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.580 -2.200 14.215 1.00 0.00 C ATOM 526 CE1 PHE A 40 -1.248 -2.432 12.174 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.813 -2.242 14.482 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.698 -2.357 13.456 1.00 0.00 C ATOM 0 H PHE A 40 1.944 -3.895 10.821 1.00 0.00 H new ATOM 0 HA PHE A 40 4.254 -3.575 12.658 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.032 -1.697 13.456 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.701 -1.656 11.736 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.504 -2.449 10.891 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.283 -2.108 15.030 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.951 -2.523 11.359 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.170 -2.183 15.500 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.758 -2.389 13.659 1.00 0.00 H new ATOM 537 N PHE A 41 1.574 -5.312 13.066 1.00 0.00 N ATOM 538 CA PHE A 41 0.900 -6.264 13.933 1.00 0.00 C ATOM 539 C PHE A 41 1.831 -7.422 14.303 1.00 0.00 C ATOM 540 O PHE A 41 1.440 -8.326 15.039 1.00 0.00 O ATOM 541 CB PHE A 41 -0.292 -6.816 13.150 1.00 0.00 C ATOM 542 CG PHE A 41 -1.632 -6.671 13.874 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.985 -5.477 14.420 1.00 0.00 C ATOM 544 CD2 PHE A 41 -2.470 -7.739 13.972 1.00 0.00 C ATOM 545 CE1 PHE A 41 -3.230 -5.344 15.092 1.00 0.00 C ATOM 546 CE2 PHE A 41 -3.715 -7.604 14.645 1.00 0.00 C ATOM 547 CZ PHE A 41 -4.067 -6.410 15.190 1.00 0.00 C ATOM 0 H PHE A 41 1.218 -5.279 12.111 1.00 0.00 H new ATOM 0 HA PHE A 41 0.589 -5.772 14.855 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.352 -6.303 12.190 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.117 -7.871 12.938 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.319 -4.630 14.343 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.190 -8.688 13.539 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.511 -4.395 15.525 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.381 -8.451 14.723 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.013 -6.308 15.701 1.00 0.00 H new ATOM 556 N CYS A 42 3.045 -7.354 13.776 1.00 0.00 N ATOM 557 CA CYS A 42 4.034 -8.384 14.043 1.00 0.00 C ATOM 558 C CYS A 42 5.034 -7.839 15.064 1.00 0.00 C ATOM 559 O CYS A 42 5.291 -8.472 16.086 1.00 0.00 O ATOM 560 CB CYS A 42 4.725 -8.850 12.759 1.00 0.00 C ATOM 561 SG CYS A 42 5.211 -7.402 11.750 1.00 0.00 S ATOM 0 H CYS A 42 3.366 -6.602 13.166 1.00 0.00 H new ATOM 0 HA CYS A 42 3.542 -9.266 14.454 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.605 -9.444 13.005 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.055 -9.493 12.188 1.00 0.00 H new ATOM 0 HG CYS A 42 5.797 -7.808 10.663 1.00 0.00 H new ATOM 566 N CYS A 43 5.570 -6.668 14.751 1.00 0.00 N ATOM 567 CA CYS A 43 6.536 -6.029 15.628 1.00 0.00 C ATOM 568 C CYS A 43 5.877 -4.799 16.255 1.00 0.00 C ATOM 569 O CYS A 43 5.760 -4.707 17.476 1.00 0.00 O ATOM 570 CB CYS A 43 7.824 -5.670 14.886 1.00 0.00 C ATOM 571 SG CYS A 43 8.795 -7.183 14.548 1.00 0.00 S ATOM 0 H CYS A 43 5.353 -6.145 13.902 1.00 0.00 H new ATOM 0 HA CYS A 43 6.830 -6.723 16.415 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.585 -5.165 13.950 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.415 -4.975 15.482 1.00 0.00 H new ATOM 0 HG CYS A 43 9.109 -7.224 13.287 1.00 0.00 H new ATOM 576 N ASP A 44 5.462 -3.884 15.391 1.00 0.00 N ATOM 577 CA ASP A 44 4.817 -2.664 15.843 1.00 0.00 C ATOM 578 C ASP A 44 5.845 -1.784 16.559 1.00 0.00 C ATOM 579 O ASP A 44 5.480 -0.840 17.258 1.00 0.00 O ATOM 580 CB ASP A 44 3.689 -2.971 16.831 1.00 0.00 C ATOM 581 CG ASP A 44 4.083 -2.895 18.307 1.00 0.00 C ATOM 582 OD1 ASP A 44 4.329 -1.806 18.847 1.00 0.00 O ATOM 583 OD2 ASP A 44 4.133 -4.029 18.917 1.00 0.00 O ATOM 0 H ASP A 44 5.560 -3.964 14.379 1.00 0.00 H new ATOM 0 HA ASP A 44 4.405 -2.157 14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.871 -2.274 16.653 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.307 -3.971 16.624 1.00 0.00 H new ATOM 588 N ILE A 45 7.109 -2.126 16.359 1.00 0.00 N ATOM 589 CA ILE A 45 8.192 -1.378 16.976 1.00 0.00 C ATOM 590 C ILE A 45 8.854 -0.486 15.925 1.00 0.00 C ATOM 591 O ILE A 45 8.829 0.739 16.041 1.00 0.00 O ATOM 592 CB ILE A 45 9.166 -2.328 17.678 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.494 -3.025 18.862 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.443 -1.595 18.094 1.00 0.00 C ATOM 595 CD1 ILE A 45 8.138 -2.020 19.961 1.00 0.00 C ATOM 0 H ILE A 45 7.408 -2.910 15.779 1.00 0.00 H new ATOM 0 HA ILE A 45 7.806 -0.720 17.755 1.00 0.00 H new ATOM 0 HB ILE A 45 9.456 -3.104 16.970 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.592 -3.535 18.524 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.160 -3.789 19.264 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.118 -2.293 18.590 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.931 -1.185 17.210 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.191 -0.785 18.778 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.662 -2.542 20.791 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.045 -1.530 20.314 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.453 -1.272 19.562 1.00 0.00 H new ATOM 606 N CYS A 46 9.431 -1.134 14.923 1.00 0.00 N ATOM 607 CA CYS A 46 10.098 -0.413 13.851 1.00 0.00 C ATOM 608 C CYS A 46 9.089 -0.187 12.724 1.00 0.00 C ATOM 609 O CYS A 46 9.344 0.590 11.804 1.00 0.00 O ATOM 610 CB CYS A 46 11.343 -1.155 13.363 1.00 0.00 C ATOM 611 SG CYS A 46 10.856 -2.586 12.333 1.00 0.00 S ATOM 0 H CYS A 46 9.451 -2.150 14.831 1.00 0.00 H new ATOM 0 HA CYS A 46 10.450 0.551 14.219 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.976 -0.480 12.786 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.932 -1.494 14.215 1.00 0.00 H new ATOM 0 HG CYS A 46 10.790 -2.221 11.087 1.00 0.00 H new ATOM 616 N ALA A 47 7.964 -0.878 12.831 1.00 0.00 N ATOM 617 CA ALA A 47 6.916 -0.762 11.832 1.00 0.00 C ATOM 618 C ALA A 47 5.827 0.181 12.349 1.00 0.00 C ATOM 619 O ALA A 47 5.833 0.560 13.519 1.00 0.00 O ATOM 620 CB ALA A 47 6.372 -2.152 11.498 1.00 0.00 C ATOM 0 H ALA A 47 7.755 -1.521 13.595 1.00 0.00 H new ATOM 0 HA ALA A 47 7.311 -0.336 10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.586 -2.064 10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.178 -2.774 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.965 -2.610 12.400 1.00 0.00 H new ATOM 626 N ALA A 48 4.919 0.534 11.451 1.00 0.00 N ATOM 627 CA ALA A 48 3.826 1.425 11.801 1.00 0.00 C ATOM 628 C ALA A 48 4.366 2.848 11.963 1.00 0.00 C ATOM 629 O ALA A 48 4.337 3.406 13.058 1.00 0.00 O ATOM 630 CB ALA A 48 3.138 0.916 13.069 1.00 0.00 C ATOM 0 H ALA A 48 4.918 0.219 10.481 1.00 0.00 H new ATOM 0 HA ALA A 48 3.078 1.444 11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.318 1.585 13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.747 -0.086 12.894 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.858 0.887 13.887 1.00 0.00 H new ATOM 636 N GLU A 49 4.846 3.394 10.855 1.00 0.00 N ATOM 637 CA GLU A 49 5.392 4.741 10.859 1.00 0.00 C ATOM 638 C GLU A 49 4.283 5.763 10.607 1.00 0.00 C ATOM 639 O GLU A 49 3.378 5.519 9.811 1.00 0.00 O ATOM 640 CB GLU A 49 6.513 4.882 9.828 1.00 0.00 C ATOM 641 CG GLU A 49 6.721 3.573 9.062 1.00 0.00 C ATOM 642 CD GLU A 49 7.993 3.631 8.214 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.972 2.931 8.516 1.00 0.00 O ATOM 644 OE2 GLU A 49 7.943 4.438 7.208 1.00 0.00 O ATOM 0 H GLU A 49 4.868 2.928 9.948 1.00 0.00 H new ATOM 0 HA GLU A 49 5.822 4.935 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.270 5.682 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.439 5.166 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.786 2.742 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.860 3.382 8.421 1.00 0.00 H new ATOM 650 N PHE A 50 4.388 6.887 11.300 1.00 0.00 N ATOM 651 CA PHE A 50 3.406 7.948 11.162 1.00 0.00 C ATOM 652 C PHE A 50 3.614 8.721 9.858 1.00 0.00 C ATOM 653 O PHE A 50 2.895 9.680 9.579 1.00 0.00 O ATOM 654 CB PHE A 50 3.605 8.901 12.343 1.00 0.00 C ATOM 655 CG PHE A 50 4.810 9.832 12.194 1.00 0.00 C ATOM 656 CD1 PHE A 50 6.037 9.429 12.618 1.00 0.00 C ATOM 657 CD2 PHE A 50 4.652 11.063 11.638 1.00 0.00 C ATOM 658 CE1 PHE A 50 7.156 10.293 12.481 1.00 0.00 C ATOM 659 CE2 PHE A 50 5.771 11.928 11.501 1.00 0.00 C ATOM 660 CZ PHE A 50 6.999 11.525 11.925 1.00 0.00 C ATOM 0 H PHE A 50 5.140 7.086 11.960 1.00 0.00 H new ATOM 0 HA PHE A 50 2.402 7.525 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.705 9.504 12.466 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.722 8.315 13.254 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.161 8.451 13.059 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.677 11.383 11.301 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.131 9.972 12.818 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.646 12.906 11.060 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.849 12.183 11.820 1.00 0.00 H new ATOM 669 N MET A 51 4.600 8.276 9.095 1.00 0.00 N ATOM 670 CA MET A 51 4.912 8.914 7.827 1.00 0.00 C ATOM 671 C MET A 51 3.727 8.830 6.864 1.00 0.00 C ATOM 672 O MET A 51 3.672 9.558 5.874 1.00 0.00 O ATOM 673 CB MET A 51 6.130 8.233 7.198 1.00 0.00 C ATOM 674 CG MET A 51 7.316 8.230 8.165 1.00 0.00 C ATOM 675 SD MET A 51 8.821 8.617 7.286 1.00 0.00 S ATOM 676 CE MET A 51 9.843 7.249 7.806 1.00 0.00 C ATOM 0 H MET A 51 5.194 7.481 9.330 1.00 0.00 H new ATOM 0 HA MET A 51 5.129 9.965 8.015 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.877 7.209 6.924 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.406 8.750 6.279 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.151 8.959 8.958 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.404 7.254 8.642 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.893 7.508 7.671 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.654 7.033 8.858 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.606 6.370 7.207 1.00 0.00 H new ATOM 684 N ASN A 52 2.805 7.936 7.189 1.00 0.00 N ATOM 685 CA ASN A 52 1.622 7.746 6.365 1.00 0.00 C ATOM 686 C ASN A 52 0.414 8.373 7.063 1.00 0.00 C ATOM 687 O ASN A 52 0.550 8.969 8.131 1.00 0.00 O ATOM 688 CB ASN A 52 1.329 6.260 6.155 1.00 0.00 C ATOM 689 CG ASN A 52 1.754 5.808 4.757 1.00 0.00 C ATOM 690 OD1 ASN A 52 2.635 4.982 4.584 1.00 0.00 O ATOM 691 ND2 ASN A 52 1.081 6.395 3.771 1.00 0.00 N ATOM 0 H ASN A 52 2.853 7.335 8.012 1.00 0.00 H new ATOM 0 HA ASN A 52 1.805 8.216 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.856 5.672 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.264 6.073 6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.291 6.161 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.355 7.079 3.985 1.00 0.00 H new ATOM 697 N MET A 53 -0.740 8.218 6.432 1.00 0.00 N ATOM 698 CA MET A 53 -1.971 8.761 6.979 1.00 0.00 C ATOM 699 C MET A 53 -2.612 7.783 7.967 1.00 0.00 C ATOM 700 O MET A 53 -2.265 6.603 7.990 1.00 0.00 O ATOM 701 CB MET A 53 -2.952 9.052 5.841 1.00 0.00 C ATOM 702 CG MET A 53 -3.658 10.393 6.055 1.00 0.00 C ATOM 703 SD MET A 53 -2.780 11.688 5.196 1.00 0.00 S ATOM 704 CE MET A 53 -1.186 11.561 5.990 1.00 0.00 C ATOM 0 H MET A 53 -0.849 7.724 5.546 1.00 0.00 H new ATOM 0 HA MET A 53 -1.733 9.682 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.418 9.065 4.891 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.691 8.253 5.780 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.684 10.335 5.692 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.709 10.621 7.120 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.641 12.496 5.863 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.324 11.362 7.053 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.619 10.747 5.539 1.00 0.00 H new ATOM 712 N MET A 54 -3.534 8.310 8.758 1.00 0.00 N ATOM 713 CA MET A 54 -4.226 7.498 9.746 1.00 0.00 C ATOM 714 C MET A 54 -5.080 6.423 9.070 1.00 0.00 C ATOM 715 O MET A 54 -5.069 5.266 9.484 1.00 0.00 O ATOM 716 CB MET A 54 -5.117 8.392 10.608 1.00 0.00 C ATOM 717 CG MET A 54 -4.303 9.506 11.269 1.00 0.00 C ATOM 718 SD MET A 54 -3.143 8.807 12.431 1.00 0.00 S ATOM 719 CE MET A 54 -3.647 9.653 13.920 1.00 0.00 C ATOM 0 H MET A 54 -3.819 9.289 8.736 1.00 0.00 H new ATOM 0 HA MET A 54 -3.481 7.004 10.370 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.904 8.828 9.993 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.607 7.792 11.374 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.770 10.078 10.509 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.970 10.200 11.781 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.020 9.331 14.751 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.540 10.729 13.781 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.689 9.417 14.138 1.00 0.00 H new ATOM 727 N ASP A 55 -5.801 6.846 8.042 1.00 0.00 N ATOM 728 CA ASP A 55 -6.659 5.934 7.306 1.00 0.00 C ATOM 729 C ASP A 55 -5.901 4.634 7.032 1.00 0.00 C ATOM 730 O ASP A 55 -6.491 3.554 7.033 1.00 0.00 O ATOM 731 CB ASP A 55 -7.072 6.532 5.958 1.00 0.00 C ATOM 732 CG ASP A 55 -5.961 7.275 5.213 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.808 8.498 5.348 1.00 0.00 O ATOM 734 OD2 ASP A 55 -5.223 6.535 4.457 1.00 0.00 O ATOM 0 H ASP A 55 -5.808 7.808 7.702 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.549 5.750 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.443 5.730 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.902 7.219 6.121 1.00 0.00 H new ATOM 739 N GLU A 56 -4.603 4.780 6.805 1.00 0.00 N ATOM 740 CA GLU A 56 -3.758 3.630 6.531 1.00 0.00 C ATOM 741 C GLU A 56 -4.068 2.497 7.511 1.00 0.00 C ATOM 742 O GLU A 56 -4.083 1.328 7.129 1.00 0.00 O ATOM 743 CB GLU A 56 -2.278 4.014 6.586 1.00 0.00 C ATOM 744 CG GLU A 56 -1.722 3.851 8.003 1.00 0.00 C ATOM 745 CD GLU A 56 -0.222 4.152 8.042 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.472 3.974 7.030 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.218 4.586 9.174 1.00 0.00 O ATOM 0 H GLU A 56 -4.117 5.677 6.805 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.972 3.278 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.711 3.391 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.154 5.046 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.249 4.520 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.902 2.835 8.353 1.00 0.00 H new ATOM 753 N ALA A 57 -4.309 2.883 8.756 1.00 0.00 N ATOM 754 CA ALA A 57 -4.618 1.914 9.793 1.00 0.00 C ATOM 755 C ALA A 57 -5.948 1.231 9.467 1.00 0.00 C ATOM 756 O ALA A 57 -6.025 0.004 9.426 1.00 0.00 O ATOM 757 CB ALA A 57 -4.640 2.613 11.154 1.00 0.00 C ATOM 0 H ALA A 57 -4.296 3.854 9.069 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.852 1.140 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.872 1.886 11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.664 3.057 11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.400 3.395 11.149 1.00 0.00 H new ATOM 763 N PHE A 58 -6.960 2.055 9.243 1.00 0.00 N ATOM 764 CA PHE A 58 -8.283 1.545 8.920 1.00 0.00 C ATOM 765 C PHE A 58 -8.221 0.558 7.754 1.00 0.00 C ATOM 766 O PHE A 58 -8.911 -0.461 7.759 1.00 0.00 O ATOM 767 CB PHE A 58 -9.137 2.745 8.512 1.00 0.00 C ATOM 768 CG PHE A 58 -10.365 2.966 9.400 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.077 1.899 9.853 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.744 4.229 9.734 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.215 2.104 10.675 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.883 4.433 10.557 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.594 3.366 11.011 1.00 0.00 C ATOM 0 H PHE A 58 -6.892 3.072 9.279 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.700 1.022 9.781 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.519 3.642 8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.466 2.610 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.776 0.896 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.179 5.076 9.374 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.781 1.257 11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.185 5.435 10.822 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.459 3.521 11.638 1.00 0.00 H new ATOM 782 N LYS A 59 -7.386 0.893 6.780 1.00 0.00 N ATOM 783 CA LYS A 59 -7.225 0.048 5.608 1.00 0.00 C ATOM 784 C LYS A 59 -7.076 -1.409 6.052 1.00 0.00 C ATOM 785 O LYS A 59 -7.675 -2.305 5.460 1.00 0.00 O ATOM 786 CB LYS A 59 -6.068 0.549 4.742 1.00 0.00 C ATOM 787 CG LYS A 59 -6.229 0.089 3.292 1.00 0.00 C ATOM 788 CD LYS A 59 -6.035 1.256 2.321 1.00 0.00 C ATOM 789 CE LYS A 59 -4.770 1.067 1.483 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.739 -0.287 0.887 1.00 0.00 N ATOM 0 H LYS A 59 -6.814 1.738 6.779 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.111 0.100 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.026 1.638 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.124 0.180 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.504 -0.695 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.219 -0.344 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.902 1.336 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.970 2.191 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.734 1.819 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.888 1.216 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.104 -0.896 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.697 -0.691 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.394 -0.227 -0.092 1.00 0.00 H new ATOM 799 N HIS A 60 -6.275 -1.598 7.090 1.00 0.00 N ATOM 800 CA HIS A 60 -6.040 -2.931 7.619 1.00 0.00 C ATOM 801 C HIS A 60 -7.376 -3.644 7.825 1.00 0.00 C ATOM 802 O HIS A 60 -7.556 -4.776 7.378 1.00 0.00 O ATOM 803 CB HIS A 60 -5.197 -2.868 8.895 1.00 0.00 C ATOM 804 CG HIS A 60 -5.969 -3.180 10.156 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.362 -4.463 10.496 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.415 -2.363 11.153 1.00 0.00 C ATOM 807 CE1 HIS A 60 -7.015 -4.408 11.647 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.047 -3.106 12.053 1.00 0.00 N ATOM 0 H HIS A 60 -5.781 -0.851 7.579 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.464 -3.515 6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.368 -3.570 8.806 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.764 -1.872 8.983 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.277 -1.293 11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.447 -5.247 12.172 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.484 -2.761 12.907 1.00 0.00 H new ATOM 815 N THR A 61 -8.282 -2.953 8.502 1.00 0.00 N ATOM 816 CA THR A 61 -9.598 -3.507 8.774 1.00 0.00 C ATOM 817 C THR A 61 -10.311 -3.853 7.465 1.00 0.00 C ATOM 818 O THR A 61 -11.050 -4.834 7.397 1.00 0.00 O ATOM 819 CB THR A 61 -10.365 -2.503 9.636 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.806 -2.666 10.938 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.835 -2.885 9.811 1.00 0.00 C ATOM 0 H THR A 61 -8.130 -2.014 8.870 1.00 0.00 H new ATOM 0 HA THR A 61 -9.526 -4.444 9.327 1.00 0.00 H new ATOM 0 HB THR A 61 -10.299 -1.512 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.844 -2.838 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.333 -2.140 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.319 -2.928 8.835 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.903 -3.861 10.292 1.00 0.00 H new ATOM 829 N ALA A 62 -10.065 -3.027 6.458 1.00 0.00 N ATOM 830 CA ALA A 62 -10.674 -3.233 5.155 1.00 0.00 C ATOM 831 C ALA A 62 -9.993 -4.414 4.460 1.00 0.00 C ATOM 832 O ALA A 62 -10.662 -5.343 4.010 1.00 0.00 O ATOM 833 CB ALA A 62 -10.582 -1.943 4.338 1.00 0.00 C ATOM 0 H ALA A 62 -9.452 -2.214 6.519 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.731 -3.477 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.039 -2.098 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.106 -1.143 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.535 -1.668 4.210 1.00 0.00 H new ATOM 839 N ARG A 63 -8.672 -4.337 4.392 1.00 0.00 N ATOM 840 CA ARG A 63 -7.893 -5.389 3.759 1.00 0.00 C ATOM 841 C ARG A 63 -8.026 -6.695 4.545 1.00 0.00 C ATOM 842 O ARG A 63 -7.435 -7.708 4.176 1.00 0.00 O ATOM 843 CB ARG A 63 -6.415 -5.002 3.671 1.00 0.00 C ATOM 844 CG ARG A 63 -5.636 -6.009 2.824 1.00 0.00 C ATOM 845 CD ARG A 63 -4.432 -6.557 3.592 1.00 0.00 C ATOM 846 NE ARG A 63 -4.861 -7.656 4.486 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.154 -8.789 4.684 1.00 0.00 C ATOM 848 NH1 ARG A 63 -2.977 -8.983 4.053 1.00 0.00 N ATOM 849 NH2 ARG A 63 -4.633 -9.706 5.506 1.00 0.00 N ATOM 0 H ARG A 63 -8.121 -3.563 4.764 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.281 -5.528 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.321 -4.006 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.987 -4.955 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.292 -6.830 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.298 -5.532 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.678 -6.919 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.970 -5.761 4.176 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.745 -7.551 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.614 -8.270 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.450 -9.842 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.523 -9.552 5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.112 -10.568 5.667 1.00 0.00 H new ATOM 859 N HIS A 64 -8.807 -6.628 5.613 1.00 0.00 N ATOM 860 CA HIS A 64 -9.025 -7.793 6.454 1.00 0.00 C ATOM 861 C HIS A 64 -10.007 -8.745 5.768 1.00 0.00 C ATOM 862 O HIS A 64 -9.671 -9.894 5.488 1.00 0.00 O ATOM 863 CB HIS A 64 -9.483 -7.376 7.853 1.00 0.00 C ATOM 864 CG HIS A 64 -9.542 -8.512 8.844 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.573 -9.436 8.866 1.00 0.00 N ATOM 866 CD2 HIS A 64 -8.687 -8.866 9.847 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.339 -10.301 9.842 1.00 0.00 C ATOM 868 NE2 HIS A 64 -9.170 -9.945 10.450 1.00 0.00 N ATOM 0 H HIS A 64 -9.296 -5.786 5.915 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.086 -8.330 6.588 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.806 -6.611 8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.470 -6.920 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.772 -8.354 10.106 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.964 -11.140 10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.739 -10.429 11.238 1.00 0.00 H new ATOM 875 N ASN A 65 -11.202 -8.230 5.517 1.00 0.00 N ATOM 876 CA ASN A 65 -12.236 -9.019 4.869 1.00 0.00 C ATOM 877 C ASN A 65 -12.557 -8.409 3.503 1.00 0.00 C ATOM 878 O ASN A 65 -12.610 -9.118 2.500 1.00 0.00 O ATOM 879 CB ASN A 65 -13.523 -9.027 5.697 1.00 0.00 C ATOM 880 CG ASN A 65 -14.465 -10.142 5.236 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.474 -11.240 5.767 1.00 0.00 O ATOM 882 ND2 ASN A 65 -15.253 -9.799 4.220 1.00 0.00 N ATOM 0 H ASN A 65 -11.477 -7.276 5.751 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.866 -10.039 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.281 -9.163 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.023 -8.063 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.916 -10.473 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.194 -8.862 3.822 1.00 0.00 H new ATOM 888 N VAL A 66 -12.760 -7.099 3.509 1.00 0.00 N ATOM 889 CA VAL A 66 -13.074 -6.387 2.283 1.00 0.00 C ATOM 890 C VAL A 66 -11.787 -5.810 1.689 1.00 0.00 C ATOM 891 O VAL A 66 -10.701 -6.343 1.917 1.00 0.00 O ATOM 892 CB VAL A 66 -14.137 -5.319 2.555 1.00 0.00 C ATOM 893 CG1 VAL A 66 -15.343 -5.919 3.278 1.00 0.00 C ATOM 894 CG2 VAL A 66 -13.548 -4.149 3.347 1.00 0.00 C ATOM 0 H VAL A 66 -12.713 -6.514 4.343 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.497 -7.068 1.544 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.480 -4.934 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.083 -5.140 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.784 -6.702 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.023 -6.343 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -14.323 -3.404 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -13.165 -4.512 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.736 -3.697 2.778 1.00 0.00 H new ATOM 904 N ASP A 67 -11.950 -4.731 0.938 1.00 0.00 N ATOM 905 CA ASP A 67 -10.814 -4.077 0.310 1.00 0.00 C ATOM 906 C ASP A 67 -11.012 -2.561 0.360 1.00 0.00 C ATOM 907 O ASP A 67 -12.122 -2.070 0.160 1.00 0.00 O ATOM 908 CB ASP A 67 -10.684 -4.489 -1.157 1.00 0.00 C ATOM 909 CG ASP A 67 -11.749 -3.908 -2.089 1.00 0.00 C ATOM 910 OD1 ASP A 67 -12.941 -3.863 -1.747 1.00 0.00 O ATOM 911 OD2 ASP A 67 -11.307 -3.483 -3.224 1.00 0.00 O ATOM 0 H ASP A 67 -12.852 -4.293 0.750 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.914 -4.373 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.702 -4.185 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.724 -5.577 -1.218 1.00 0.00 H new ATOM 916 N GLU A 68 -9.919 -1.862 0.628 1.00 0.00 N ATOM 917 CA GLU A 68 -9.959 -0.412 0.706 1.00 0.00 C ATOM 918 C GLU A 68 -8.770 0.193 -0.043 1.00 0.00 C ATOM 919 O GLU A 68 -7.657 -0.326 0.029 1.00 0.00 O ATOM 920 CB GLU A 68 -9.986 0.058 2.162 1.00 0.00 C ATOM 921 CG GLU A 68 -9.889 1.582 2.248 1.00 0.00 C ATOM 922 CD GLU A 68 -9.869 2.049 3.706 1.00 0.00 C ATOM 923 OE1 GLU A 68 -8.856 2.596 4.168 1.00 0.00 O ATOM 924 OE2 GLU A 68 -10.956 1.826 4.364 1.00 0.00 O ATOM 0 H GLU A 68 -9.000 -2.273 0.794 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.877 -0.067 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.906 -0.279 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.159 -0.394 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.986 1.922 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.735 2.034 1.729 1.00 0.00 H new ATOM 930 N LEU A 69 -9.046 1.283 -0.744 1.00 0.00 N ATOM 931 CA LEU A 69 -8.012 1.964 -1.506 1.00 0.00 C ATOM 932 C LEU A 69 -8.119 3.471 -1.268 1.00 0.00 C ATOM 933 O LEU A 69 -9.200 4.047 -1.386 1.00 0.00 O ATOM 934 CB LEU A 69 -8.087 1.568 -2.982 1.00 0.00 C ATOM 935 CG LEU A 69 -6.759 1.194 -3.644 1.00 0.00 C ATOM 936 CD1 LEU A 69 -6.990 0.552 -5.013 1.00 0.00 C ATOM 937 CD2 LEU A 69 -5.829 2.407 -3.730 1.00 0.00 C ATOM 0 H LEU A 69 -9.970 1.711 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.023 1.657 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.768 0.722 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.527 2.396 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.263 0.451 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.030 0.296 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.588 -0.352 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.517 1.254 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.892 2.114 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.306 3.190 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.626 2.782 -2.727 1.00 0.00 H new ATOM 948 N HIS A 70 -6.983 4.067 -0.936 1.00 0.00 N ATOM 949 CA HIS A 70 -6.935 5.497 -0.680 1.00 0.00 C ATOM 950 C HIS A 70 -5.600 6.062 -1.169 1.00 0.00 C ATOM 951 O HIS A 70 -4.557 5.433 -1.002 1.00 0.00 O ATOM 952 CB HIS A 70 -7.199 5.793 0.798 1.00 0.00 C ATOM 953 CG HIS A 70 -7.668 7.203 1.068 1.00 0.00 C ATOM 954 ND1 HIS A 70 -8.805 7.485 1.805 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.143 8.404 0.692 1.00 0.00 C ATOM 956 CE1 HIS A 70 -8.948 8.802 1.864 1.00 0.00 C ATOM 957 NE2 HIS A 70 -7.918 9.369 1.173 1.00 0.00 N ATOM 0 H HIS A 70 -6.089 3.586 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.727 5.997 -1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.949 5.094 1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.285 5.611 1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.249 8.546 0.103 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.741 9.332 2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.768 10.370 1.046 1.00 0.00 H new ATOM 964 N ILE A 71 -5.676 7.242 -1.765 1.00 0.00 N ATOM 965 CA ILE A 71 -4.487 7.900 -2.280 1.00 0.00 C ATOM 966 C ILE A 71 -4.510 9.375 -1.876 1.00 0.00 C ATOM 967 O ILE A 71 -5.509 10.062 -2.079 1.00 0.00 O ATOM 968 CB ILE A 71 -4.362 7.676 -3.788 1.00 0.00 C ATOM 969 CG1 ILE A 71 -4.949 8.854 -4.568 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.994 6.344 -4.199 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.560 8.781 -6.046 1.00 0.00 C ATOM 0 H ILE A 71 -6.543 7.760 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.590 7.464 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.303 7.620 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.035 8.852 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.593 9.791 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.891 6.210 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.490 5.527 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.051 6.345 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.990 9.630 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.474 8.807 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.938 7.854 -6.476 1.00 0.00 H new ATOM 982 N ASP A 72 -3.395 9.819 -1.314 1.00 0.00 N ATOM 983 CA ASP A 72 -3.275 11.201 -0.881 1.00 0.00 C ATOM 984 C ASP A 72 -1.838 11.676 -1.101 1.00 0.00 C ATOM 985 O ASP A 72 -0.889 10.930 -0.862 1.00 0.00 O ATOM 986 CB ASP A 72 -3.596 11.341 0.608 1.00 0.00 C ATOM 987 CG ASP A 72 -4.784 12.250 0.930 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.565 11.976 1.854 1.00 0.00 O ATOM 989 OD2 ASP A 72 -4.895 13.292 0.177 1.00 0.00 O ATOM 0 H ASP A 72 -2.567 9.246 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.979 11.798 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.795 10.350 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.714 11.726 1.120 1.00 0.00 H new ATOM 994 N GLY A 73 -1.721 12.916 -1.555 1.00 0.00 N ATOM 995 CA GLY A 73 -0.415 13.499 -1.811 1.00 0.00 C ATOM 996 C GLY A 73 -0.333 14.922 -1.255 1.00 0.00 C ATOM 997 O GLY A 73 -1.209 15.745 -1.514 1.00 0.00 O ATOM 0 H GLY A 73 -2.509 13.533 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.359 12.881 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.222 13.512 -2.884 1.00 0.00 H new ATOM 1001 N ASN A 74 0.729 15.168 -0.503 1.00 0.00 N ATOM 1002 CA ASN A 74 0.938 16.478 0.092 1.00 0.00 C ATOM 1003 C ASN A 74 2.435 16.788 0.120 1.00 0.00 C ATOM 1004 O ASN A 74 3.245 15.928 0.466 1.00 0.00 O ATOM 1005 CB ASN A 74 0.419 16.519 1.531 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.003 17.080 1.586 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.879 16.695 0.830 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.182 18.010 2.520 1.00 0.00 N ATOM 0 H ASN A 74 1.454 14.483 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 74 0.397 17.210 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.434 15.515 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.080 17.134 2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.096 18.447 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.405 18.286 3.120 1.00 0.00 H new ATOM 1014 N TYR A 75 2.760 18.018 -0.249 1.00 0.00 N ATOM 1015 CA TYR A 75 4.146 18.452 -0.271 1.00 0.00 C ATOM 1016 C TYR A 75 4.712 18.550 1.148 1.00 0.00 C ATOM 1017 O TYR A 75 5.913 18.751 1.329 1.00 0.00 O ATOM 1018 CB TYR A 75 4.143 19.846 -0.903 1.00 0.00 C ATOM 1019 CG TYR A 75 5.369 20.139 -1.770 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.804 19.205 -2.689 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.040 21.337 -1.633 1.00 0.00 C ATOM 1022 CE1 TYR A 75 6.958 19.481 -3.505 1.00 0.00 C ATOM 1023 CE2 TYR A 75 7.194 21.613 -2.449 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.596 20.672 -3.344 1.00 0.00 C ATOM 1025 OH TYR A 75 8.686 20.932 -4.116 1.00 0.00 O ATOM 0 H TYR A 75 2.086 18.728 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 75 4.761 17.743 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.246 19.956 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.084 20.593 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.279 18.267 -2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.700 22.067 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.309 18.759 -4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.728 22.547 -2.352 1.00 0.00 H new ATOM 0 HH TYR A 75 9.040 21.819 -3.895 1.00 0.00 H new ATOM 1034 N GLN A 76 3.822 18.404 2.117 1.00 0.00 N ATOM 1035 CA GLN A 76 4.217 18.474 3.514 1.00 0.00 C ATOM 1036 C GLN A 76 4.120 17.091 4.161 1.00 0.00 C ATOM 1037 O GLN A 76 4.647 16.874 5.252 1.00 0.00 O ATOM 1038 CB GLN A 76 3.370 19.496 4.273 1.00 0.00 C ATOM 1039 CG GLN A 76 3.983 19.810 5.639 1.00 0.00 C ATOM 1040 CD GLN A 76 2.948 20.441 6.573 1.00 0.00 C ATOM 1041 OE1 GLN A 76 3.034 21.600 6.945 1.00 0.00 O ATOM 1042 NE2 GLN A 76 1.968 19.616 6.930 1.00 0.00 N ATOM 0 H GLN A 76 2.828 18.237 1.963 1.00 0.00 H new ATOM 0 HA GLN A 76 5.254 18.805 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.288 20.412 3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.359 19.110 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.371 18.895 6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.828 20.488 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.956 18.657 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.228 19.942 7.552 1.00 0.00 H new ATOM 1049 N LEU A 77 3.443 16.191 3.463 1.00 0.00 N ATOM 1050 CA LEU A 77 3.272 14.836 3.958 1.00 0.00 C ATOM 1051 C LEU A 77 4.611 14.315 4.483 1.00 0.00 C ATOM 1052 O LEU A 77 4.678 13.762 5.580 1.00 0.00 O ATOM 1053 CB LEU A 77 2.647 13.947 2.880 1.00 0.00 C ATOM 1054 CG LEU A 77 1.609 12.934 3.364 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.740 12.690 4.869 1.00 0.00 C ATOM 1056 CD2 LEU A 77 0.194 13.368 2.976 1.00 0.00 C ATOM 0 H LEU A 77 3.007 16.374 2.559 1.00 0.00 H new ATOM 0 HA LEU A 77 2.574 14.822 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.178 14.589 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.447 13.405 2.376 1.00 0.00 H new ATOM 0 HG LEU A 77 1.803 11.984 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.990 11.966 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.735 12.303 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.589 13.627 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.524 12.629 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.026 14.335 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.123 13.449 1.891 1.00 0.00 H new ATOM 1067 N GLY A 78 5.643 14.510 3.677 1.00 0.00 N ATOM 1068 CA GLY A 78 6.976 14.067 4.047 1.00 0.00 C ATOM 1069 C GLY A 78 7.831 13.806 2.805 1.00 0.00 C ATOM 1070 O GLY A 78 9.059 13.799 2.883 1.00 0.00 O ATOM 0 H GLY A 78 5.583 14.969 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.454 14.823 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.908 13.158 4.644 1.00 0.00 H new ATOM 1074 N ARG A 79 7.149 13.598 1.688 1.00 0.00 N ATOM 1075 CA ARG A 79 7.831 13.336 0.432 1.00 0.00 C ATOM 1076 C ARG A 79 8.114 11.840 0.283 1.00 0.00 C ATOM 1077 O ARG A 79 9.251 11.442 0.042 1.00 0.00 O ATOM 1078 CB ARG A 79 9.149 14.109 0.351 1.00 0.00 C ATOM 1079 CG ARG A 79 9.620 14.235 -1.100 1.00 0.00 C ATOM 1080 CD ARG A 79 8.683 15.139 -1.905 1.00 0.00 C ATOM 1081 NE ARG A 79 8.381 14.516 -3.213 1.00 0.00 N ATOM 1082 CZ ARG A 79 8.043 15.210 -4.321 1.00 0.00 C ATOM 1083 NH1 ARG A 79 7.959 16.557 -4.287 1.00 0.00 N ATOM 1084 NH2 ARG A 79 7.794 14.552 -5.438 1.00 0.00 N ATOM 0 H ARG A 79 6.131 13.606 1.627 1.00 0.00 H new ATOM 0 HA ARG A 79 7.178 13.667 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.020 15.101 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.911 13.600 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.631 14.641 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.662 13.247 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.760 15.306 -1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.145 16.115 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 79 8.431 13.500 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.152 17.058 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.703 17.073 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.858 13.534 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.537 15.061 -6.284 1.00 0.00 H new ATOM 1094 N ASN A 80 7.060 11.053 0.434 1.00 0.00 N ATOM 1095 CA ASN A 80 7.180 9.610 0.319 1.00 0.00 C ATOM 1096 C ASN A 80 6.220 9.105 -0.760 1.00 0.00 C ATOM 1097 O ASN A 80 5.009 9.291 -0.653 1.00 0.00 O ATOM 1098 CB ASN A 80 6.816 8.920 1.636 1.00 0.00 C ATOM 1099 CG ASN A 80 6.764 7.401 1.462 1.00 0.00 C ATOM 1100 OD1 ASN A 80 5.988 6.864 0.688 1.00 0.00 O ATOM 1101 ND2 ASN A 80 7.630 6.739 2.225 1.00 0.00 N ATOM 0 H ASN A 80 6.118 11.388 0.635 1.00 0.00 H new ATOM 0 HA ASN A 80 8.214 9.378 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.549 9.177 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.850 9.283 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.672 5.721 2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.252 7.250 2.852 1.00 0.00 H new ATOM 1107 N VAL A 81 6.797 8.480 -1.775 1.00 0.00 N ATOM 1108 CA VAL A 81 6.007 7.948 -2.873 1.00 0.00 C ATOM 1109 C VAL A 81 6.124 6.422 -2.887 1.00 0.00 C ATOM 1110 O VAL A 81 7.182 5.879 -3.205 1.00 0.00 O ATOM 1111 CB VAL A 81 6.441 8.593 -4.190 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.935 8.924 -4.173 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.092 7.697 -5.380 1.00 0.00 C ATOM 0 H VAL A 81 7.802 8.330 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 81 4.953 8.192 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 81 5.892 9.528 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.217 9.382 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.145 9.618 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.509 8.009 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.411 8.179 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.601 6.739 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.015 7.534 -5.409 1.00 0.00 H new ATOM 1123 N LEU A 82 5.023 5.773 -2.539 1.00 0.00 N ATOM 1124 CA LEU A 82 4.989 4.320 -2.507 1.00 0.00 C ATOM 1125 C LEU A 82 3.934 3.819 -3.495 1.00 0.00 C ATOM 1126 O LEU A 82 2.754 4.143 -3.368 1.00 0.00 O ATOM 1127 CB LEU A 82 4.780 3.820 -1.077 1.00 0.00 C ATOM 1128 CG LEU A 82 6.030 3.759 -0.199 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.870 2.719 0.913 1.00 0.00 C ATOM 1130 CD2 LEU A 82 7.282 3.508 -1.042 1.00 0.00 C ATOM 0 H LEU A 82 4.148 6.226 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 82 5.947 3.908 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.050 4.466 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.343 2.823 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 82 6.155 4.729 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.773 2.696 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.017 2.983 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.706 1.736 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.156 3.469 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.181 2.560 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.402 4.315 -1.764 1.00 0.00 H new ATOM 1141 N LEU A 83 4.396 3.035 -4.458 1.00 0.00 N ATOM 1142 CA LEU A 83 3.507 2.484 -5.467 1.00 0.00 C ATOM 1143 C LEU A 83 3.463 0.962 -5.327 1.00 0.00 C ATOM 1144 O LEU A 83 4.471 0.286 -5.535 1.00 0.00 O ATOM 1145 CB LEU A 83 3.919 2.961 -6.861 1.00 0.00 C ATOM 1146 CG LEU A 83 3.445 2.098 -8.033 1.00 0.00 C ATOM 1147 CD1 LEU A 83 4.438 0.970 -8.320 1.00 0.00 C ATOM 1148 CD2 LEU A 83 2.031 1.569 -7.786 1.00 0.00 C ATOM 0 H LEU A 83 5.375 2.768 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 83 2.490 2.847 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.540 3.973 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.007 3.021 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 83 3.404 2.724 -8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.077 0.372 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.410 1.396 -8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.535 0.338 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.718 0.959 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.022 0.963 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.344 2.407 -7.669 1.00 0.00 H new ATOM 1159 N LYS A 84 2.286 0.465 -4.975 1.00 0.00 N ATOM 1160 CA LYS A 84 2.098 -0.965 -4.804 1.00 0.00 C ATOM 1161 C LYS A 84 0.966 -1.440 -5.717 1.00 0.00 C ATOM 1162 O LYS A 84 -0.167 -0.977 -5.598 1.00 0.00 O ATOM 1163 CB LYS A 84 1.879 -1.305 -3.328 1.00 0.00 C ATOM 1164 CG LYS A 84 1.534 -2.784 -3.151 1.00 0.00 C ATOM 1165 CD LYS A 84 2.718 -3.559 -2.569 1.00 0.00 C ATOM 1166 CE LYS A 84 2.276 -4.928 -2.049 1.00 0.00 C ATOM 1167 NZ LYS A 84 2.706 -5.113 -0.645 1.00 0.00 N ATOM 0 H LYS A 84 1.453 1.028 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 84 2.997 -1.504 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.778 -1.067 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.075 -0.690 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.671 -2.883 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.252 -3.213 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.484 -3.687 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.169 -2.986 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.192 -5.017 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.701 -5.715 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.059 -5.773 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.671 -5.499 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.690 -4.197 -0.153 1.00 0.00 H new ATOM 1176 N ASN A 85 1.313 -2.355 -6.609 1.00 0.00 N ATOM 1177 CA ASN A 85 0.341 -2.897 -7.543 1.00 0.00 C ATOM 1178 C ASN A 85 0.139 -4.386 -7.257 1.00 0.00 C ATOM 1179 O ASN A 85 1.074 -5.176 -7.373 1.00 0.00 O ATOM 1180 CB ASN A 85 0.826 -2.755 -8.988 1.00 0.00 C ATOM 1181 CG ASN A 85 1.089 -1.289 -9.336 1.00 0.00 C ATOM 1182 OD1 ASN A 85 0.252 -0.421 -9.157 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.298 -1.063 -9.843 1.00 0.00 N ATOM 0 H ASN A 85 2.255 -2.735 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.590 -2.344 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.738 -3.335 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.080 -3.166 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.571 -0.117 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.952 -1.836 -9.967 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.087 -4.723 -6.887 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.424 -6.104 -6.582 1.00 0.00 C ATOM 1191 C GLY A 86 -2.439 -6.655 -7.585 1.00 0.00 C ATOM 1192 O GLY A 86 -3.543 -6.128 -7.709 1.00 0.00 O ATOM 0 H GLY A 86 -1.860 -4.064 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.521 -6.715 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.832 -6.168 -5.573 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.029 -7.709 -8.276 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.888 -8.338 -9.264 1.00 0.00 C ATOM 1198 C GLU A 87 -3.216 -9.772 -8.847 1.00 0.00 C ATOM 1199 O GLU A 87 -2.325 -10.615 -8.756 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.244 -8.303 -10.652 1.00 0.00 C ATOM 1201 CG GLU A 87 -1.705 -6.907 -10.972 1.00 0.00 C ATOM 1202 CD GLU A 87 -0.431 -6.992 -11.814 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -0.320 -6.308 -12.842 1.00 0.00 O ATOM 1204 OE2 GLU A 87 0.466 -7.804 -11.367 1.00 0.00 O ATOM 0 H GLU A 87 -1.112 -8.143 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.820 -7.775 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.433 -9.029 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.977 -8.595 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.462 -6.335 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.498 -6.372 -10.045 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.497 -10.006 -8.605 1.00 0.00 N ATOM 1211 CA ASP A 88 -4.953 -11.325 -8.199 1.00 0.00 C ATOM 1212 C ASP A 88 -6.168 -11.721 -9.042 1.00 0.00 C ATOM 1213 O ASP A 88 -7.225 -11.099 -8.944 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.376 -11.334 -6.729 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.161 -12.663 -6.003 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -4.183 -12.835 -5.261 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.063 -13.559 -6.226 1.00 0.00 O ATOM 0 H ASP A 88 -5.234 -9.305 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.130 -12.025 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.823 -10.556 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.432 -11.071 -6.669 1.00 0.00 H new ATOM 1222 N ARG A 89 -5.976 -12.752 -9.851 1.00 0.00 N ATOM 1223 CA ARG A 89 -7.043 -13.238 -10.711 1.00 0.00 C ATOM 1224 C ARG A 89 -6.888 -14.742 -10.948 1.00 0.00 C ATOM 1225 O ARG A 89 -5.776 -15.264 -10.940 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.039 -12.513 -12.057 1.00 0.00 C ATOM 1227 CG ARG A 89 -5.709 -12.716 -12.785 1.00 0.00 C ATOM 1228 CD ARG A 89 -5.922 -12.827 -14.296 1.00 0.00 C ATOM 1229 NE ARG A 89 -6.117 -14.244 -14.676 1.00 0.00 N ATOM 1230 CZ ARG A 89 -5.112 -15.090 -14.987 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -3.830 -14.668 -14.964 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -5.402 -16.337 -15.313 1.00 0.00 N ATOM 0 H ARG A 89 -5.098 -13.265 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.990 -13.041 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.857 -12.883 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.214 -11.448 -11.901 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.041 -11.882 -12.569 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.222 -13.619 -12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.790 -12.239 -14.593 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.062 -12.415 -14.824 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.071 -14.604 -14.705 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.615 -13.704 -14.710 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.076 -15.313 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.373 -16.648 -15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.654 -16.989 -15.551 1.00 0.00 H new ATOM 1242 N LEU A 90 -8.023 -15.395 -11.154 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.028 -16.827 -11.394 1.00 0.00 C ATOM 1244 C LEU A 90 -9.012 -17.148 -12.520 1.00 0.00 C ATOM 1245 O LEU A 90 -10.045 -16.495 -12.652 1.00 0.00 O ATOM 1246 CB LEU A 90 -8.311 -17.588 -10.096 1.00 0.00 C ATOM 1247 CG LEU A 90 -7.334 -17.337 -8.945 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -8.039 -17.455 -7.592 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -6.121 -18.264 -9.043 1.00 0.00 C ATOM 0 H LEU A 90 -8.945 -14.958 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.044 -17.160 -11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.314 -17.329 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.315 -18.655 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.965 -16.315 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.322 -17.272 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.842 -16.720 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.455 -18.457 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.443 -18.065 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.452 -19.302 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.603 -18.087 -9.986 1.00 0.00 H new ATOM 1260 N ARG A 91 -8.656 -18.155 -13.306 1.00 0.00 N ATOM 1261 CA ARG A 91 -9.495 -18.570 -14.417 1.00 0.00 C ATOM 1262 C ARG A 91 -10.949 -18.709 -13.961 1.00 0.00 C ATOM 1263 O ARG A 91 -11.872 -18.443 -14.730 1.00 0.00 O ATOM 1264 CB ARG A 91 -9.020 -19.904 -14.997 1.00 0.00 C ATOM 1265 CG ARG A 91 -9.892 -20.329 -16.181 1.00 0.00 C ATOM 1266 CD ARG A 91 -10.060 -21.849 -16.220 1.00 0.00 C ATOM 1267 NE ARG A 91 -11.487 -22.205 -16.051 1.00 0.00 N ATOM 1268 CZ ARG A 91 -11.935 -23.464 -15.864 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -11.071 -24.500 -15.819 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -13.232 -23.668 -15.725 1.00 0.00 N ATOM 0 H ARG A 91 -7.798 -18.695 -13.195 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.425 -17.805 -15.190 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.982 -19.816 -15.318 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.050 -20.672 -14.224 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.870 -19.853 -16.106 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.440 -19.985 -17.112 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.689 -22.240 -17.167 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.466 -22.309 -15.431 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.174 -21.452 -16.078 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.070 -24.335 -15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.419 -25.448 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.879 -22.880 -15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.587 -24.614 -15.583 1.00 0.00 H new ATOM 1280 N PHE A 92 -11.108 -19.126 -12.714 1.00 0.00 N ATOM 1281 CA PHE A 92 -12.434 -19.305 -12.147 1.00 0.00 C ATOM 1282 C PHE A 92 -13.239 -18.005 -12.217 1.00 0.00 C ATOM 1283 O PHE A 92 -14.462 -18.034 -12.343 1.00 0.00 O ATOM 1284 CB PHE A 92 -12.244 -19.694 -10.680 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.096 -20.886 -10.238 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -14.421 -20.719 -9.984 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -12.527 -22.114 -10.100 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.211 -21.825 -9.574 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -13.317 -23.221 -9.690 1.00 0.00 C ATOM 1290 CZ PHE A 92 -14.642 -23.053 -9.436 1.00 0.00 C ATOM 0 H PHE A 92 -10.340 -19.345 -12.080 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.977 -20.069 -12.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.193 -19.928 -10.510 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.485 -18.836 -10.053 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.873 -19.744 -10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.474 -22.247 -10.302 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.263 -21.692 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.865 -24.196 -9.580 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.243 -23.895 -9.125 1.00 0.00 H new ATOM 1299 N TYR A 93 -12.520 -16.895 -12.134 1.00 0.00 N ATOM 1300 CA TYR A 93 -13.152 -15.588 -12.186 1.00 0.00 C ATOM 1301 C TYR A 93 -13.277 -15.097 -13.630 1.00 0.00 C ATOM 1302 O TYR A 93 -12.496 -15.494 -14.494 1.00 0.00 O ATOM 1303 CB TYR A 93 -12.228 -14.642 -11.416 1.00 0.00 C ATOM 1304 CG TYR A 93 -12.823 -14.119 -10.107 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -13.616 -14.942 -9.333 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.566 -12.826 -9.701 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -14.176 -14.450 -8.102 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -13.127 -12.334 -8.468 1.00 0.00 C ATOM 1309 CZ TYR A 93 -13.904 -13.171 -7.730 1.00 0.00 C ATOM 1310 OH TYR A 93 -14.434 -12.705 -6.566 1.00 0.00 O ATOM 0 H TYR A 93 -11.505 -16.874 -12.031 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.155 -15.629 -11.762 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.295 -15.161 -11.197 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.979 -13.794 -12.054 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.816 -15.955 -9.651 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.945 -12.183 -10.307 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.799 -15.083 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.935 -11.324 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.154 -11.776 -6.428 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.264 -14.241 -13.846 1.00 0.00 N ATOM 1320 CA VAL A 94 -14.501 -13.691 -15.171 1.00 0.00 C ATOM 1321 C VAL A 94 -14.174 -12.196 -15.163 1.00 0.00 C ATOM 1322 O VAL A 94 -13.962 -11.598 -16.218 1.00 0.00 O ATOM 1323 CB VAL A 94 -15.936 -13.988 -15.611 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -16.338 -13.107 -16.795 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -16.110 -15.470 -15.945 1.00 0.00 C ATOM 0 H VAL A 94 -14.909 -13.914 -13.127 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.847 -14.163 -15.904 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.599 -13.753 -14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.362 -13.337 -17.089 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.270 -12.058 -16.507 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.668 -13.297 -17.634 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -17.139 -15.655 -16.255 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.433 -15.743 -16.754 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.883 -16.071 -15.064 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.145 -11.635 -13.963 1.00 0.00 N ATOM 1336 CA LYS A 95 -13.847 -10.221 -13.806 1.00 0.00 C ATOM 1337 C LYS A 95 -12.331 -10.017 -13.833 1.00 0.00 C ATOM 1338 O LYS A 95 -11.852 -8.960 -14.240 1.00 0.00 O ATOM 1339 CB LYS A 95 -14.520 -9.670 -12.546 1.00 0.00 C ATOM 1340 CG LYS A 95 -13.860 -8.364 -12.100 1.00 0.00 C ATOM 1341 CD LYS A 95 -14.720 -7.644 -11.058 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.521 -6.509 -11.699 1.00 0.00 C ATOM 1343 NZ LYS A 95 -16.608 -6.069 -10.797 1.00 0.00 N ATOM 0 H LYS A 95 -14.323 -12.133 -13.091 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.260 -9.649 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.579 -9.499 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.457 -10.406 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.875 -8.574 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.708 -7.716 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.401 -8.355 -10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.083 -7.244 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.861 -5.670 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.941 -6.843 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.142 -5.298 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.246 -6.868 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.201 -5.731 -9.902 1.00 0.00 H new ATOM 1352 N PHE A 96 -11.619 -11.045 -13.395 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.168 -10.991 -13.364 1.00 0.00 C ATOM 1354 C PHE A 96 -9.680 -9.617 -12.900 1.00 0.00 C ATOM 1355 O PHE A 96 -8.759 -9.050 -13.488 1.00 0.00 O ATOM 1356 CB PHE A 96 -9.681 -11.236 -14.794 1.00 0.00 C ATOM 1357 CG PHE A 96 -10.431 -10.426 -15.854 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -10.042 -9.155 -16.139 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.486 -10.978 -16.510 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -10.738 -8.404 -17.123 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -12.182 -10.227 -17.495 1.00 0.00 C ATOM 1362 CZ PHE A 96 -11.793 -8.955 -17.780 1.00 0.00 C ATOM 0 H PHE A 96 -12.020 -11.920 -13.059 1.00 0.00 H new ATOM 0 HA PHE A 96 -9.783 -11.737 -12.669 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.619 -10.996 -14.852 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -9.781 -12.297 -15.024 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.204 -8.717 -15.617 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -11.795 -11.987 -16.282 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.429 -7.394 -17.350 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -13.019 -10.666 -18.017 1.00 0.00 H new ATOM 0 HZ PHE A 96 -12.322 -8.383 -18.528 1.00 0.00 H new ATOM 1371 N GLY A 97 -10.319 -9.121 -11.851 1.00 0.00 N ATOM 1372 CA GLY A 97 -9.961 -7.824 -11.302 1.00 0.00 C ATOM 1373 C GLY A 97 -8.450 -7.596 -11.373 1.00 0.00 C ATOM 1374 O GLY A 97 -7.692 -8.190 -10.609 1.00 0.00 O ATOM 0 H GLY A 97 -11.082 -9.594 -11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.477 -7.037 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.294 -7.759 -10.266 1.00 0.00 H new ATOM 1378 N PRO A 98 -8.047 -6.710 -12.324 1.00 0.00 N ATOM 1379 CA PRO A 98 -6.640 -6.396 -12.506 1.00 0.00 C ATOM 1380 C PRO A 98 -6.134 -5.481 -11.389 1.00 0.00 C ATOM 1381 O PRO A 98 -6.919 -4.995 -10.575 1.00 0.00 O ATOM 1382 CB PRO A 98 -6.554 -5.757 -13.881 1.00 0.00 C ATOM 1383 CG PRO A 98 -7.968 -5.314 -14.225 1.00 0.00 C ATOM 1384 CD PRO A 98 -8.917 -5.986 -13.247 1.00 0.00 C ATOM 0 HA PRO A 98 -6.002 -7.278 -12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -5.870 -4.909 -13.875 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.177 -6.466 -14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.055 -4.230 -14.158 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.216 -5.591 -15.250 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.529 -5.253 -12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.601 -6.663 -13.760 1.00 0.00 H new ATOM 1389 N GLY A 99 -4.826 -5.273 -11.385 1.00 0.00 N ATOM 1390 CA GLY A 99 -4.206 -4.424 -10.382 1.00 0.00 C ATOM 1391 C GLY A 99 -3.237 -3.431 -11.026 1.00 0.00 C ATOM 1392 O GLY A 99 -2.029 -3.658 -11.042 1.00 0.00 O ATOM 0 H GLY A 99 -4.178 -5.678 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.976 -3.882 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.673 -5.040 -9.658 1.00 0.00 H new ATOM 1396 N ALA A 100 -3.804 -2.349 -11.541 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.007 -1.321 -12.184 1.00 0.00 C ATOM 1398 C ALA A 100 -3.278 0.026 -11.510 1.00 0.00 C ATOM 1399 O ALA A 100 -4.286 0.189 -10.824 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.317 -1.296 -13.682 1.00 0.00 C ATOM 0 H ALA A 100 -4.807 -2.163 -11.525 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.944 -1.536 -12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.718 -0.524 -14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.079 -2.266 -14.119 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.375 -1.081 -13.831 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.360 0.956 -11.728 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.488 2.283 -11.149 1.00 0.00 C ATOM 1408 C VAL A 101 -3.749 2.954 -11.696 1.00 0.00 C ATOM 1409 O VAL A 101 -4.416 3.703 -10.984 1.00 0.00 O ATOM 1410 CB VAL A 101 -1.217 3.094 -11.414 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.398 4.552 -10.986 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.009 2.464 -10.717 1.00 0.00 C ATOM 0 H VAL A 101 -1.525 0.817 -12.297 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.597 2.218 -10.066 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.029 3.081 -12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.481 5.106 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.220 4.997 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.623 4.593 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.881 3.060 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.185 2.432 -9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.139 1.451 -11.091 1.00 0.00 H new ATOM 1422 N ILE A 102 -4.039 2.660 -12.955 1.00 0.00 N ATOM 1423 CA ILE A 102 -5.208 3.226 -13.605 1.00 0.00 C ATOM 1424 C ILE A 102 -6.408 3.129 -12.661 1.00 0.00 C ATOM 1425 O ILE A 102 -7.054 4.134 -12.367 1.00 0.00 O ATOM 1426 CB ILE A 102 -5.441 2.562 -14.964 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.264 2.820 -15.908 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.772 3.006 -15.572 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.120 4.314 -16.208 1.00 0.00 C ATOM 0 H ILE A 102 -3.484 2.037 -13.542 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.051 4.284 -13.816 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.502 1.484 -14.812 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.344 2.445 -15.459 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.412 2.271 -16.838 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.912 2.519 -16.537 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.588 2.729 -14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.767 4.087 -15.709 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.277 4.470 -16.881 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.032 4.680 -16.679 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.948 4.857 -15.279 1.00 0.00 H new ATOM 1440 N LYS A 103 -6.670 1.910 -12.211 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.781 1.669 -11.306 1.00 0.00 C ATOM 1442 C LYS A 103 -7.518 2.388 -9.981 1.00 0.00 C ATOM 1443 O LYS A 103 -8.434 2.952 -9.384 1.00 0.00 O ATOM 1444 CB LYS A 103 -8.031 0.168 -11.153 1.00 0.00 C ATOM 1445 CG LYS A 103 -6.782 -0.546 -10.631 1.00 0.00 C ATOM 1446 CD LYS A 103 -7.154 -1.833 -9.893 1.00 0.00 C ATOM 1447 CE LYS A 103 -7.059 -1.645 -8.378 1.00 0.00 C ATOM 1448 NZ LYS A 103 -5.651 -1.729 -7.932 1.00 0.00 N ATOM 0 H LYS A 103 -6.132 1.079 -12.456 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.703 2.081 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.862 0.002 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.321 -0.256 -12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.118 -0.779 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.234 0.116 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.167 -2.131 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.491 -2.640 -10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.478 -0.678 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.652 -2.407 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.514 -1.122 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.423 -2.713 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.024 -1.410 -8.699 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.263 2.344 -9.559 1.00 0.00 N ATOM 1458 CA GLU A 104 -5.868 2.984 -8.315 1.00 0.00 C ATOM 1459 C GLU A 104 -6.413 4.412 -8.257 1.00 0.00 C ATOM 1460 O GLU A 104 -6.855 4.869 -7.204 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.347 2.970 -8.150 1.00 0.00 C ATOM 1462 CG GLU A 104 -3.833 1.548 -7.918 1.00 0.00 C ATOM 1463 CD GLU A 104 -2.328 1.546 -7.646 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -1.648 2.548 -7.918 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -1.867 0.455 -7.134 1.00 0.00 O ATOM 0 H GLU A 104 -5.506 1.875 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.295 2.419 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.877 3.389 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.063 3.605 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.359 1.101 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.049 0.933 -8.791 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.365 5.077 -9.401 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.849 6.444 -9.493 1.00 0.00 C ATOM 1473 C PHE A 105 -8.356 6.511 -9.238 1.00 0.00 C ATOM 1474 O PHE A 105 -8.838 7.434 -8.584 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.562 6.926 -10.917 1.00 0.00 C ATOM 1476 CG PHE A 105 -5.300 7.782 -11.043 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -5.363 9.121 -10.815 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -4.117 7.203 -11.382 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -4.192 9.916 -10.932 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -2.946 7.999 -11.498 1.00 0.00 C ATOM 1481 CZ PHE A 105 -3.008 9.338 -11.271 1.00 0.00 C ATOM 0 H PHE A 105 -5.998 4.695 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.354 7.065 -8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.467 6.059 -11.571 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.416 7.502 -11.274 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.303 9.580 -10.545 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.068 6.139 -11.563 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.241 10.980 -10.752 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.006 7.540 -11.767 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.118 9.943 -11.360 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.057 5.521 -9.770 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.500 5.455 -9.608 1.00 0.00 C ATOM 1492 C LYS A 106 -10.872 5.901 -8.193 1.00 0.00 C ATOM 1493 O LYS A 106 -11.924 6.502 -7.984 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.017 4.062 -9.969 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.531 3.970 -9.771 1.00 0.00 C ATOM 1496 CD LYS A 106 -12.871 3.379 -8.403 1.00 0.00 C ATOM 1497 CE LYS A 106 -12.512 1.893 -8.342 1.00 0.00 C ATOM 1498 NZ LYS A 106 -13.603 1.073 -8.916 1.00 0.00 N ATOM 0 H LYS A 106 -8.653 4.758 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.992 6.141 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.768 3.835 -11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.520 3.314 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.974 4.962 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.967 3.352 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.331 3.919 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.934 3.508 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.587 1.713 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.333 1.598 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.344 0.067 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.478 1.232 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.755 1.343 -9.909 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.986 5.592 -7.258 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.207 5.953 -5.869 1.00 0.00 C ATOM 1509 C ILE A 107 -10.802 7.361 -5.800 1.00 0.00 C ATOM 1510 O ILE A 107 -11.553 7.677 -4.879 1.00 0.00 O ATOM 1511 CB ILE A 107 -8.918 5.791 -5.060 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.217 5.695 -3.563 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -7.927 6.914 -5.377 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.573 7.067 -2.987 1.00 0.00 C ATOM 0 H ILE A 107 -9.113 5.095 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.930 5.278 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.447 4.853 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.041 5.002 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.350 5.291 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.020 6.775 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.679 6.891 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.376 7.876 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.781 6.971 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.737 7.751 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.455 7.457 -3.495 1.00 0.00 H new ATOM 1525 N THR A 108 -10.443 8.169 -6.787 1.00 0.00 N ATOM 1526 CA THR A 108 -10.932 9.535 -6.851 1.00 0.00 C ATOM 1527 C THR A 108 -11.211 9.934 -8.302 1.00 0.00 C ATOM 1528 O THR A 108 -12.356 10.196 -8.669 1.00 0.00 O ATOM 1529 CB THR A 108 -9.908 10.437 -6.160 1.00 0.00 C ATOM 1530 OG1 THR A 108 -8.650 9.860 -6.501 1.00 0.00 O ATOM 1531 CG2 THR A 108 -9.966 10.326 -4.634 1.00 0.00 C ATOM 0 H THR A 108 -9.819 7.903 -7.549 1.00 0.00 H new ATOM 0 HA THR A 108 -11.883 9.639 -6.329 1.00 0.00 H new ATOM 0 HB THR A 108 -10.078 11.472 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.929 10.384 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.219 10.986 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.957 10.615 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.763 9.297 -4.336 1.00 0.00 H new ATOM 1539 N ASP A 109 -10.145 9.968 -9.088 1.00 0.00 N ATOM 1540 CA ASP A 109 -10.260 10.332 -10.490 1.00 0.00 C ATOM 1541 C ASP A 109 -11.388 9.519 -11.132 1.00 0.00 C ATOM 1542 O ASP A 109 -11.223 8.331 -11.405 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.967 10.025 -11.247 1.00 0.00 C ATOM 1544 CG ASP A 109 -8.008 11.209 -11.394 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -7.330 11.605 -10.435 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -7.973 11.738 -12.571 1.00 0.00 O ATOM 0 H ASP A 109 -9.197 9.749 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.465 11.401 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.446 9.216 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.224 9.659 -12.241 1.00 0.00 H new