USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 742 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 9 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.0111 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 14 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-3.4!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 24 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.17) USER MOD Single : A 26 MET CE :methyl -136:sc= -3.19! (180deg=-8.09!) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.377) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0.527 (180deg=0.511) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= -0.39 (180deg=-1.76) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -100:sc= -0.719 USER MOD Single : A 53 ASN : amide:sc= -1.25 K(o=-1.2,f=0.17) USER MOD Single : A 54 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.009) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 56 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.3) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.106 (180deg=-1.22) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-7.1!) USER MOD Single : A 74 SER OG : rot -54:sc= 0.296 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -6:sc= -1.22 USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= 0.00777 (180deg=0) USER MOD Single : A 88 MET CE :methyl 166:sc= 0 (180deg=-0.213) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0.0977 (180deg=-0.169) USER MOD Single : A 91 SER OG : rot -149:sc= 0.0662 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.793 9.153 -27.968 1.00 0.00 N ATOM 2 CA GLY A 1 -7.299 8.208 -26.984 1.00 0.00 C ATOM 3 C GLY A 1 -5.788 8.233 -26.863 1.00 0.00 C ATOM 4 O GLY A 1 -5.093 8.666 -27.782 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.168 9.994 -27.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.016 9.434 -28.600 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.550 8.709 -28.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.742 8.434 -26.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.622 7.203 -27.256 1.00 0.00 H new ATOM 8 N SER A 2 -5.279 7.768 -25.727 1.00 0.00 N ATOM 9 CA SER A 2 -3.841 7.744 -25.488 1.00 0.00 C ATOM 10 C SER A 2 -3.444 6.505 -24.690 1.00 0.00 C ATOM 11 O SER A 2 -4.264 5.919 -23.984 1.00 0.00 O ATOM 12 CB SER A 2 -3.405 9.006 -24.741 1.00 0.00 C ATOM 13 OG SER A 2 -3.119 10.060 -25.644 1.00 0.00 O ATOM 0 H SER A 2 -5.841 7.403 -24.958 1.00 0.00 H new ATOM 0 HA SER A 2 -3.338 7.710 -26.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.192 9.316 -24.053 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.523 8.789 -24.139 1.00 0.00 H new ATOM 0 HG SER A 2 -3.588 9.902 -26.490 1.00 0.00 H new ATOM 19 N SER A 3 -2.180 6.112 -24.810 1.00 0.00 N ATOM 20 CA SER A 3 -1.673 4.941 -24.104 1.00 0.00 C ATOM 21 C SER A 3 -2.286 4.839 -22.711 1.00 0.00 C ATOM 22 O SER A 3 -2.793 3.790 -22.319 1.00 0.00 O ATOM 23 CB SER A 3 -0.148 5.002 -24.000 1.00 0.00 C ATOM 24 OG SER A 3 0.446 5.139 -25.279 1.00 0.00 O ATOM 0 H SER A 3 -1.488 6.587 -25.389 1.00 0.00 H new ATOM 0 HA SER A 3 -1.956 4.055 -24.672 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.143 5.842 -23.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.223 4.097 -23.518 1.00 0.00 H new ATOM 0 HG SER A 3 1.421 5.177 -25.185 1.00 0.00 H new ATOM 30 N GLY A 4 -2.234 5.940 -21.966 1.00 0.00 N ATOM 31 CA GLY A 4 -2.786 5.955 -20.624 1.00 0.00 C ATOM 32 C GLY A 4 -1.778 5.526 -19.577 1.00 0.00 C ATOM 33 O GLY A 4 -2.095 4.739 -18.685 1.00 0.00 O ATOM 0 H GLY A 4 -1.819 6.821 -22.268 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.141 6.959 -20.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.651 5.293 -20.583 1.00 0.00 H new ATOM 37 N SER A 5 -0.558 6.043 -19.686 1.00 0.00 N ATOM 38 CA SER A 5 0.502 5.705 -18.744 1.00 0.00 C ATOM 39 C SER A 5 0.131 6.140 -17.329 1.00 0.00 C ATOM 40 O SER A 5 -0.241 7.291 -17.100 1.00 0.00 O ATOM 41 CB SER A 5 1.817 6.364 -19.165 1.00 0.00 C ATOM 42 OG SER A 5 2.885 5.949 -18.331 1.00 0.00 O ATOM 0 H SER A 5 -0.280 6.697 -20.417 1.00 0.00 H new ATOM 0 HA SER A 5 0.628 4.622 -18.751 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.040 6.109 -20.201 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.715 7.448 -19.119 1.00 0.00 H new ATOM 0 HG SER A 5 3.714 6.383 -18.622 1.00 0.00 H new ATOM 48 N SER A 6 0.237 5.211 -16.384 1.00 0.00 N ATOM 49 CA SER A 6 -0.091 5.497 -14.992 1.00 0.00 C ATOM 50 C SER A 6 1.176 5.700 -14.167 1.00 0.00 C ATOM 51 O SER A 6 2.288 5.537 -14.666 1.00 0.00 O ATOM 52 CB SER A 6 -0.923 4.359 -14.398 1.00 0.00 C ATOM 53 OG SER A 6 -0.283 3.108 -14.584 1.00 0.00 O ATOM 0 H SER A 6 0.547 4.255 -16.557 1.00 0.00 H new ATOM 0 HA SER A 6 -0.674 6.417 -14.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.080 4.536 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.907 4.341 -14.867 1.00 0.00 H new ATOM 0 HG SER A 6 -0.834 2.397 -14.194 1.00 0.00 H new ATOM 59 N GLY A 7 0.998 6.058 -12.899 1.00 0.00 N ATOM 60 CA GLY A 7 2.134 6.278 -12.023 1.00 0.00 C ATOM 61 C GLY A 7 1.744 6.966 -10.729 1.00 0.00 C ATOM 62 O GLY A 7 2.344 7.970 -10.349 1.00 0.00 O ATOM 0 H GLY A 7 0.087 6.200 -12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.604 5.321 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.878 6.882 -12.542 1.00 0.00 H new ATOM 66 N GLN A 8 0.736 6.424 -10.053 1.00 0.00 N ATOM 67 CA GLN A 8 0.267 6.994 -8.796 1.00 0.00 C ATOM 68 C GLN A 8 1.188 6.607 -7.645 1.00 0.00 C ATOM 69 O GLN A 8 1.917 5.619 -7.726 1.00 0.00 O ATOM 70 CB GLN A 8 -1.160 6.528 -8.502 1.00 0.00 C ATOM 71 CG GLN A 8 -1.977 7.533 -7.706 1.00 0.00 C ATOM 72 CD GLN A 8 -2.538 8.645 -8.570 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.242 8.391 -9.548 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.230 9.886 -8.214 1.00 0.00 N ATOM 0 H GLN A 8 0.229 5.592 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 8 0.275 8.080 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.668 6.325 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.120 5.588 -7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.797 7.016 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.352 7.965 -6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.643 10.051 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.580 10.674 -8.758 1.00 0.00 H new ATOM 83 N ASN A 9 1.150 7.392 -6.573 1.00 0.00 N ATOM 84 CA ASN A 9 1.983 7.131 -5.405 1.00 0.00 C ATOM 85 C ASN A 9 1.155 6.544 -4.266 1.00 0.00 C ATOM 86 O ASN A 9 1.582 6.540 -3.111 1.00 0.00 O ATOM 87 CB ASN A 9 2.667 8.419 -4.942 1.00 0.00 C ATOM 88 CG ASN A 9 3.631 8.966 -5.976 1.00 0.00 C ATOM 89 OD1 ASN A 9 4.738 8.453 -6.142 1.00 0.00 O ATOM 90 ND2 ASN A 9 3.215 10.014 -6.678 1.00 0.00 N ATOM 0 H ASN A 9 0.551 8.214 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 9 2.745 6.405 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.909 9.171 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.205 8.228 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.821 10.426 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.289 10.407 -6.507 1.00 0.00 H new ATOM 97 N VAL A 10 -0.032 6.048 -4.600 1.00 0.00 N ATOM 98 CA VAL A 10 -0.921 5.457 -3.607 1.00 0.00 C ATOM 99 C VAL A 10 -1.514 4.146 -4.111 1.00 0.00 C ATOM 100 O VAL A 10 -1.951 4.051 -5.259 1.00 0.00 O ATOM 101 CB VAL A 10 -2.066 6.417 -3.235 1.00 0.00 C ATOM 102 CG1 VAL A 10 -2.835 6.837 -4.479 1.00 0.00 C ATOM 103 CG2 VAL A 10 -2.994 5.771 -2.217 1.00 0.00 C ATOM 0 H VAL A 10 -0.400 6.044 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.319 5.262 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.636 7.311 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.640 7.515 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.161 7.342 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.256 5.955 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.797 6.464 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.419 4.860 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.432 5.526 -1.316 1.00 0.00 H new ATOM 113 N LEU A 11 -1.528 3.138 -3.246 1.00 0.00 N ATOM 114 CA LEU A 11 -2.069 1.831 -3.603 1.00 0.00 C ATOM 115 C LEU A 11 -3.148 1.400 -2.616 1.00 0.00 C ATOM 116 O LEU A 11 -2.887 1.249 -1.422 1.00 0.00 O ATOM 117 CB LEU A 11 -0.951 0.788 -3.642 1.00 0.00 C ATOM 118 CG LEU A 11 -1.397 -0.675 -3.620 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.633 -1.182 -5.034 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.365 -1.536 -2.907 1.00 0.00 C ATOM 0 H LEU A 11 -1.171 3.200 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.519 1.910 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.359 0.953 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.292 0.959 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.337 -0.741 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.950 -2.224 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.409 -0.583 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.710 -1.103 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.699 -2.574 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.590 -1.465 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.246 -1.187 -1.881 1.00 0.00 H new ATOM 132 N ASP A 12 -4.361 1.202 -3.121 1.00 0.00 N ATOM 133 CA ASP A 12 -5.480 0.785 -2.284 1.00 0.00 C ATOM 134 C ASP A 12 -5.539 -0.735 -2.174 1.00 0.00 C ATOM 135 O ASP A 12 -5.755 -1.432 -3.166 1.00 0.00 O ATOM 136 CB ASP A 12 -6.796 1.319 -2.852 1.00 0.00 C ATOM 137 CG ASP A 12 -7.345 0.445 -3.962 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.052 -0.535 -3.649 1.00 0.00 O ATOM 139 OD2 ASP A 12 -7.067 0.740 -5.143 1.00 0.00 O ATOM 0 H ASP A 12 -4.594 1.324 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.330 1.198 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.532 1.389 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.641 2.329 -3.232 1.00 0.00 H new ATOM 144 N LEU A 13 -5.345 -1.243 -0.962 1.00 0.00 N ATOM 145 CA LEU A 13 -5.375 -2.682 -0.722 1.00 0.00 C ATOM 146 C LEU A 13 -6.735 -3.116 -0.186 1.00 0.00 C ATOM 147 O LEU A 13 -7.130 -4.274 -0.328 1.00 0.00 O ATOM 148 CB LEU A 13 -4.275 -3.077 0.265 1.00 0.00 C ATOM 149 CG LEU A 13 -2.839 -2.962 -0.249 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.848 -3.234 0.872 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.610 -3.919 -1.410 1.00 0.00 C ATOM 0 H LEU A 13 -5.165 -0.680 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.201 -3.188 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.372 -2.455 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.447 -4.107 0.576 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.681 -1.944 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.832 -3.148 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.996 -2.509 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.005 -4.240 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.583 -3.824 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.786 -4.942 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.297 -3.677 -2.221 1.00 0.00 H new ATOM 163 N HIS A 14 -7.449 -2.179 0.430 1.00 0.00 N ATOM 164 CA HIS A 14 -8.768 -2.464 0.985 1.00 0.00 C ATOM 165 C HIS A 14 -9.691 -3.048 -0.080 1.00 0.00 C ATOM 166 O HIS A 14 -9.888 -2.453 -1.139 1.00 0.00 O ATOM 167 CB HIS A 14 -9.384 -1.193 1.570 1.00 0.00 C ATOM 168 CG HIS A 14 -9.662 -0.136 0.546 1.00 0.00 C ATOM 169 ND1 HIS A 14 -10.935 0.298 0.239 1.00 0.00 N ATOM 170 CD2 HIS A 14 -8.824 0.575 -0.244 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.867 1.230 -0.695 1.00 0.00 C ATOM 172 NE2 HIS A 14 -9.596 1.416 -1.005 1.00 0.00 N ATOM 0 H HIS A 14 -7.137 -1.216 0.557 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.649 -3.200 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.314 -1.450 2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.711 -0.787 2.325 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.795 -0.047 0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.747 0.495 -0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.707 1.751 -1.131 1.00 0.00 H new ATOM 180 N GLY A 15 -10.255 -4.217 0.209 1.00 0.00 N ATOM 181 CA GLY A 15 -11.150 -4.862 -0.734 1.00 0.00 C ATOM 182 C GLY A 15 -10.609 -6.186 -1.234 1.00 0.00 C ATOM 183 O GLY A 15 -11.372 -7.109 -1.520 1.00 0.00 O ATOM 0 H GLY A 15 -10.108 -4.729 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.117 -5.025 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.319 -4.198 -1.582 1.00 0.00 H new ATOM 187 N LEU A 16 -9.288 -6.281 -1.342 1.00 0.00 N ATOM 188 CA LEU A 16 -8.645 -7.502 -1.814 1.00 0.00 C ATOM 189 C LEU A 16 -8.450 -8.492 -0.669 1.00 0.00 C ATOM 190 O LEU A 16 -8.770 -8.196 0.482 1.00 0.00 O ATOM 191 CB LEU A 16 -7.295 -7.176 -2.456 1.00 0.00 C ATOM 192 CG LEU A 16 -7.346 -6.621 -3.879 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.170 -5.690 -4.131 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.357 -7.755 -4.894 1.00 0.00 C ATOM 0 H LEU A 16 -8.642 -5.527 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.294 -7.960 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.780 -6.453 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.690 -8.083 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.267 -6.049 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.223 -5.304 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.206 -4.859 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.237 -6.238 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.393 -7.341 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.453 -8.354 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.232 -8.383 -4.728 1.00 0.00 H new ATOM 206 N HIS A 17 -7.922 -9.667 -0.994 1.00 0.00 N ATOM 207 CA HIS A 17 -7.682 -10.700 0.008 1.00 0.00 C ATOM 208 C HIS A 17 -6.265 -10.599 0.564 1.00 0.00 C ATOM 209 O HIS A 17 -5.321 -10.295 -0.165 1.00 0.00 O ATOM 210 CB HIS A 17 -7.907 -12.087 -0.595 1.00 0.00 C ATOM 211 CG HIS A 17 -8.182 -13.147 0.427 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.345 -14.221 0.642 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.208 -13.292 1.298 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.845 -14.982 1.598 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.975 -14.440 2.014 1.00 0.00 N ATOM 0 H HIS A 17 -7.652 -9.928 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.386 -10.548 0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.744 -12.040 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.027 -12.370 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.053 -12.628 1.409 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.405 -15.893 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.577 -14.814 2.748 1.00 0.00 H new ATOM 223 N VAL A 18 -6.123 -10.854 1.861 1.00 0.00 N ATOM 224 CA VAL A 18 -4.822 -10.792 2.515 1.00 0.00 C ATOM 225 C VAL A 18 -3.714 -11.263 1.580 1.00 0.00 C ATOM 226 O VAL A 18 -2.717 -10.568 1.382 1.00 0.00 O ATOM 227 CB VAL A 18 -4.796 -11.647 3.796 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.380 -11.746 4.343 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.741 -11.071 4.840 1.00 0.00 C ATOM 0 H VAL A 18 -6.894 -11.106 2.480 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.651 -9.749 2.780 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.135 -12.653 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.381 -12.354 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.733 -12.207 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.010 -10.748 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.710 -11.687 5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.435 -10.054 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.756 -11.058 4.444 1.00 0.00 H new ATOM 239 N ASP A 19 -3.895 -12.447 1.007 1.00 0.00 N ATOM 240 CA ASP A 19 -2.911 -13.012 0.090 1.00 0.00 C ATOM 241 C ASP A 19 -2.675 -12.080 -1.095 1.00 0.00 C ATOM 242 O ASP A 19 -1.535 -11.750 -1.418 1.00 0.00 O ATOM 243 CB ASP A 19 -3.373 -14.383 -0.407 1.00 0.00 C ATOM 244 CG ASP A 19 -2.214 -15.267 -0.824 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.315 -15.502 0.011 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.208 -15.726 -1.985 1.00 0.00 O ATOM 0 H ASP A 19 -4.714 -13.035 1.161 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.972 -13.128 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.940 -14.880 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.049 -14.251 -1.252 1.00 0.00 H new ATOM 251 N GLU A 20 -3.761 -11.662 -1.738 1.00 0.00 N ATOM 252 CA GLU A 20 -3.671 -10.771 -2.888 1.00 0.00 C ATOM 253 C GLU A 20 -2.988 -9.460 -2.508 1.00 0.00 C ATOM 254 O GLU A 20 -1.952 -9.103 -3.067 1.00 0.00 O ATOM 255 CB GLU A 20 -5.065 -10.488 -3.452 1.00 0.00 C ATOM 256 CG GLU A 20 -5.531 -11.519 -4.466 1.00 0.00 C ATOM 257 CD GLU A 20 -6.048 -12.786 -3.814 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.225 -13.674 -3.506 1.00 0.00 O ATOM 259 OE2 GLU A 20 -7.276 -12.890 -3.612 1.00 0.00 O ATOM 0 H GLU A 20 -4.712 -11.926 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.071 -11.265 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.780 -10.450 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.066 -9.504 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.318 -11.086 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.704 -11.768 -5.131 1.00 0.00 H new ATOM 266 N ALA A 21 -3.578 -8.747 -1.554 1.00 0.00 N ATOM 267 CA ALA A 21 -3.027 -7.477 -1.098 1.00 0.00 C ATOM 268 C ALA A 21 -1.518 -7.571 -0.905 1.00 0.00 C ATOM 269 O ALA A 21 -0.761 -6.759 -1.439 1.00 0.00 O ATOM 270 CB ALA A 21 -3.701 -7.044 0.196 1.00 0.00 C ATOM 0 H ALA A 21 -4.438 -9.028 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.222 -6.728 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.280 -6.094 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.772 -6.927 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.535 -7.800 0.963 1.00 0.00 H new ATOM 276 N LEU A 22 -1.085 -8.566 -0.138 1.00 0.00 N ATOM 277 CA LEU A 22 0.336 -8.766 0.126 1.00 0.00 C ATOM 278 C LEU A 22 1.136 -8.767 -1.172 1.00 0.00 C ATOM 279 O LEU A 22 1.982 -7.900 -1.391 1.00 0.00 O ATOM 280 CB LEU A 22 0.555 -10.083 0.874 1.00 0.00 C ATOM 281 CG LEU A 22 0.366 -10.032 2.390 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.501 -11.423 2.992 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.368 -9.076 3.021 1.00 0.00 C ATOM 0 H LEU A 22 -1.697 -9.247 0.312 1.00 0.00 H new ATOM 0 HA LEU A 22 0.685 -7.940 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.130 -10.827 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.566 -10.433 0.665 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.638 -9.664 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.363 -11.367 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.256 -12.080 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.492 -11.820 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.218 -9.053 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.381 -9.414 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.223 -8.076 2.613 1.00 0.00 H new ATOM 295 N GLU A 23 0.861 -9.743 -2.031 1.00 0.00 N ATOM 296 CA GLU A 23 1.556 -9.854 -3.309 1.00 0.00 C ATOM 297 C GLU A 23 1.641 -8.497 -4.001 1.00 0.00 C ATOM 298 O GLU A 23 2.663 -8.155 -4.597 1.00 0.00 O ATOM 299 CB GLU A 23 0.843 -10.859 -4.216 1.00 0.00 C ATOM 300 CG GLU A 23 0.714 -12.245 -3.608 1.00 0.00 C ATOM 301 CD GLU A 23 -0.264 -13.125 -4.362 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.486 -12.934 -4.194 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.195 -14.005 -5.120 1.00 0.00 O ATOM 0 H GLU A 23 0.163 -10.468 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 23 2.569 -10.207 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.152 -10.481 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.386 -10.934 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.693 -12.724 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.390 -12.154 -2.571 1.00 0.00 H new ATOM 310 N HIS A 24 0.560 -7.728 -3.919 1.00 0.00 N ATOM 311 CA HIS A 24 0.512 -6.408 -4.537 1.00 0.00 C ATOM 312 C HIS A 24 1.476 -5.449 -3.846 1.00 0.00 C ATOM 313 O HIS A 24 2.312 -4.818 -4.495 1.00 0.00 O ATOM 314 CB HIS A 24 -0.910 -5.848 -4.483 1.00 0.00 C ATOM 315 CG HIS A 24 -1.758 -6.252 -5.650 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.352 -6.108 -6.960 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.995 -6.798 -5.698 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.304 -6.548 -7.764 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.312 -6.973 -7.023 1.00 0.00 N ATOM 0 H HIS A 24 -0.294 -7.996 -3.431 1.00 0.00 H new ATOM 0 HA HIS A 24 0.815 -6.511 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.389 -6.183 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.862 -4.760 -4.439 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.617 -7.049 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.265 -6.558 -8.843 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.184 -7.367 -7.377 1.00 0.00 H new ATOM 327 N LEU A 25 1.354 -5.343 -2.528 1.00 0.00 N ATOM 328 CA LEU A 25 2.214 -4.460 -1.748 1.00 0.00 C ATOM 329 C LEU A 25 3.679 -4.652 -2.128 1.00 0.00 C ATOM 330 O LEU A 25 4.377 -3.693 -2.456 1.00 0.00 O ATOM 331 CB LEU A 25 2.025 -4.720 -0.253 1.00 0.00 C ATOM 332 CG LEU A 25 2.896 -3.888 0.689 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.191 -2.595 1.067 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.250 -4.689 1.934 1.00 0.00 C ATOM 0 H LEU A 25 0.668 -5.858 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 25 1.932 -3.431 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.980 -4.540 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.222 -5.775 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 25 3.820 -3.634 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.827 -2.017 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.990 -2.014 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.251 -2.826 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.870 -4.082 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.336 -4.973 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.798 -5.586 1.646 1.00 0.00 H new ATOM 346 N MET A 26 4.138 -5.899 -2.083 1.00 0.00 N ATOM 347 CA MET A 26 5.519 -6.217 -2.426 1.00 0.00 C ATOM 348 C MET A 26 5.814 -5.862 -3.880 1.00 0.00 C ATOM 349 O MET A 26 6.787 -5.168 -4.173 1.00 0.00 O ATOM 350 CB MET A 26 5.797 -7.702 -2.185 1.00 0.00 C ATOM 351 CG MET A 26 4.878 -8.627 -2.965 1.00 0.00 C ATOM 352 SD MET A 26 5.104 -10.362 -2.528 1.00 0.00 S ATOM 353 CE MET A 26 3.939 -10.525 -1.177 1.00 0.00 C ATOM 0 H MET A 26 3.574 -6.705 -1.813 1.00 0.00 H new ATOM 0 HA MET A 26 6.172 -5.623 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.831 -7.918 -2.455 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.694 -7.914 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.842 -8.342 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.060 -8.498 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.400 -11.086 -0.364 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.656 -9.535 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.051 -11.053 -1.524 1.00 0.00 H new ATOM 363 N ARG A 27 4.968 -6.343 -4.785 1.00 0.00 N ATOM 364 CA ARG A 27 5.140 -6.077 -6.208 1.00 0.00 C ATOM 365 C ARG A 27 5.259 -4.578 -6.471 1.00 0.00 C ATOM 366 O ARG A 27 6.298 -4.097 -6.923 1.00 0.00 O ATOM 367 CB ARG A 27 3.966 -6.653 -7.002 1.00 0.00 C ATOM 368 CG ARG A 27 4.185 -8.086 -7.460 1.00 0.00 C ATOM 369 CD ARG A 27 4.848 -8.138 -8.828 1.00 0.00 C ATOM 370 NE ARG A 27 5.117 -9.509 -9.253 1.00 0.00 N ATOM 371 CZ ARG A 27 6.178 -10.205 -8.862 1.00 0.00 C ATOM 372 NH1 ARG A 27 7.065 -9.662 -8.040 1.00 0.00 N ATOM 373 NH2 ARG A 27 6.354 -11.448 -9.293 1.00 0.00 N ATOM 0 H ARG A 27 4.157 -6.919 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 27 6.062 -6.560 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.067 -6.610 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.786 -6.025 -7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.805 -8.611 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.229 -8.607 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.205 -7.650 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.782 -7.577 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 27 4.453 -9.957 -9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.933 -8.707 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.879 -10.199 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.674 -11.870 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.170 -11.982 -8.992 1.00 0.00 H new ATOM 387 N VAL A 28 4.187 -3.846 -6.185 1.00 0.00 N ATOM 388 CA VAL A 28 4.171 -2.402 -6.389 1.00 0.00 C ATOM 389 C VAL A 28 5.389 -1.743 -5.752 1.00 0.00 C ATOM 390 O VAL A 28 5.987 -0.832 -6.326 1.00 0.00 O ATOM 391 CB VAL A 28 2.894 -1.767 -5.807 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.657 -2.489 -6.319 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.938 -1.782 -4.286 1.00 0.00 C ATOM 0 H VAL A 28 3.319 -4.229 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 28 4.193 -2.234 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 28 2.842 -0.729 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.765 -2.026 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.621 -2.422 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.698 -3.537 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.028 -1.330 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.014 -2.811 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.804 -1.216 -3.941 1.00 0.00 H new ATOM 403 N LEU A 29 5.753 -2.210 -4.563 1.00 0.00 N ATOM 404 CA LEU A 29 6.902 -1.667 -3.847 1.00 0.00 C ATOM 405 C LEU A 29 8.147 -1.674 -4.729 1.00 0.00 C ATOM 406 O LEU A 29 8.994 -0.787 -4.630 1.00 0.00 O ATOM 407 CB LEU A 29 7.161 -2.472 -2.573 1.00 0.00 C ATOM 408 CG LEU A 29 6.442 -1.987 -1.314 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.680 -2.947 -0.159 1.00 0.00 C ATOM 410 CD2 LEU A 29 6.901 -0.583 -0.945 1.00 0.00 C ATOM 0 H LEU A 29 5.269 -2.963 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 29 6.676 -0.635 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.872 -3.507 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.233 -2.470 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 29 5.372 -1.957 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.160 -2.585 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.302 -3.935 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.748 -3.011 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.379 -0.254 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.975 -0.588 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.678 0.100 -1.765 1.00 0.00 H new ATOM 422 N GLU A 30 8.249 -2.680 -5.592 1.00 0.00 N ATOM 423 CA GLU A 30 9.389 -2.801 -6.492 1.00 0.00 C ATOM 424 C GLU A 30 9.256 -1.843 -7.672 1.00 0.00 C ATOM 425 O GLU A 30 10.222 -1.191 -8.070 1.00 0.00 O ATOM 426 CB GLU A 30 9.516 -4.239 -7.001 1.00 0.00 C ATOM 427 CG GLU A 30 9.961 -5.225 -5.934 1.00 0.00 C ATOM 428 CD GLU A 30 11.381 -4.975 -5.465 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.313 -5.150 -6.277 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.560 -4.606 -4.285 1.00 0.00 O ATOM 0 H GLU A 30 7.556 -3.422 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 30 10.288 -2.540 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.555 -4.560 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.229 -4.262 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.284 -5.162 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.885 -6.239 -6.327 1.00 0.00 H new ATOM 437 N LYS A 31 8.051 -1.762 -8.227 1.00 0.00 N ATOM 438 CA LYS A 31 7.789 -0.883 -9.361 1.00 0.00 C ATOM 439 C LYS A 31 7.818 0.581 -8.933 1.00 0.00 C ATOM 440 O LYS A 31 8.648 1.359 -9.402 1.00 0.00 O ATOM 441 CB LYS A 31 6.432 -1.216 -9.986 1.00 0.00 C ATOM 442 CG LYS A 31 6.293 -0.745 -11.424 1.00 0.00 C ATOM 443 CD LYS A 31 5.901 0.722 -11.494 1.00 0.00 C ATOM 444 CE LYS A 31 5.732 1.185 -12.933 1.00 0.00 C ATOM 445 NZ LYS A 31 5.470 2.648 -13.018 1.00 0.00 N ATOM 0 H LYS A 31 7.241 -2.294 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 31 8.573 -1.042 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.279 -2.295 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.644 -0.762 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.235 -0.896 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.542 -1.348 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.970 0.877 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.663 1.327 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.631 0.944 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.908 0.641 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.725 2.992 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.461 2.831 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.040 3.145 -12.304 1.00 0.00 H new ATOM 459 N LYS A 32 6.907 0.949 -8.038 1.00 0.00 N ATOM 460 CA LYS A 32 6.829 2.318 -7.544 1.00 0.00 C ATOM 461 C LYS A 32 8.223 2.906 -7.346 1.00 0.00 C ATOM 462 O LYS A 32 8.566 3.931 -7.936 1.00 0.00 O ATOM 463 CB LYS A 32 6.054 2.363 -6.225 1.00 0.00 C ATOM 464 CG LYS A 32 4.633 1.839 -6.337 1.00 0.00 C ATOM 465 CD LYS A 32 3.756 2.774 -7.153 1.00 0.00 C ATOM 466 CE LYS A 32 2.296 2.351 -7.106 1.00 0.00 C ATOM 467 NZ LYS A 32 1.564 2.743 -8.343 1.00 0.00 N ATOM 0 H LYS A 32 6.212 0.317 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 32 6.304 2.916 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.590 1.778 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.026 3.391 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.644 0.852 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.209 1.719 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.854 3.791 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.099 2.786 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.235 1.271 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.814 2.805 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.607 2.335 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.498 3.780 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.075 2.388 -9.176 1.00 0.00 H new ATOM 481 N THR A 33 9.025 2.249 -6.514 1.00 0.00 N ATOM 482 CA THR A 33 10.381 2.705 -6.239 1.00 0.00 C ATOM 483 C THR A 33 11.189 2.834 -7.525 1.00 0.00 C ATOM 484 O THR A 33 12.094 3.662 -7.619 1.00 0.00 O ATOM 485 CB THR A 33 11.113 1.747 -5.281 1.00 0.00 C ATOM 486 OG1 THR A 33 12.483 2.141 -5.145 1.00 0.00 O ATOM 487 CG2 THR A 33 11.041 0.314 -5.788 1.00 0.00 C ATOM 0 H THR A 33 8.758 1.398 -6.019 1.00 0.00 H new ATOM 0 HA THR A 33 10.295 3.684 -5.767 1.00 0.00 H new ATOM 0 HB THR A 33 10.623 1.797 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.941 1.527 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.565 -0.344 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.998 0.006 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.508 0.252 -6.771 1.00 0.00 H new ATOM 495 N GLU A 34 10.854 2.011 -8.514 1.00 0.00 N ATOM 496 CA GLU A 34 11.550 2.034 -9.795 1.00 0.00 C ATOM 497 C GLU A 34 11.597 3.450 -10.363 1.00 0.00 C ATOM 498 O GLU A 34 12.662 4.061 -10.446 1.00 0.00 O ATOM 499 CB GLU A 34 10.864 1.096 -10.791 1.00 0.00 C ATOM 500 CG GLU A 34 11.767 0.652 -11.929 1.00 0.00 C ATOM 501 CD GLU A 34 11.030 -0.166 -12.972 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.372 -1.157 -12.593 1.00 0.00 O ATOM 503 OE2 GLU A 34 11.113 0.185 -14.168 1.00 0.00 O ATOM 0 H GLU A 34 10.106 1.321 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 34 12.572 1.692 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.504 0.215 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.990 1.597 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.205 1.530 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.591 0.063 -11.526 1.00 0.00 H new ATOM 510 N GLU A 35 10.435 3.963 -10.754 1.00 0.00 N ATOM 511 CA GLU A 35 10.343 5.306 -11.315 1.00 0.00 C ATOM 512 C GLU A 35 10.810 6.351 -10.305 1.00 0.00 C ATOM 513 O GLU A 35 11.467 7.328 -10.665 1.00 0.00 O ATOM 514 CB GLU A 35 8.907 5.605 -11.748 1.00 0.00 C ATOM 515 CG GLU A 35 8.392 4.675 -12.834 1.00 0.00 C ATOM 516 CD GLU A 35 9.398 4.466 -13.949 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.972 5.468 -14.426 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.612 3.301 -14.345 1.00 0.00 O ATOM 0 H GLU A 35 9.545 3.469 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 35 10.995 5.353 -12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.252 5.533 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.851 6.633 -12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.140 3.711 -12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.472 5.085 -13.252 1.00 0.00 H new ATOM 525 N PHE A 36 10.464 6.138 -9.040 1.00 0.00 N ATOM 526 CA PHE A 36 10.845 7.061 -7.978 1.00 0.00 C ATOM 527 C PHE A 36 12.343 7.350 -8.020 1.00 0.00 C ATOM 528 O PHE A 36 12.779 8.471 -7.755 1.00 0.00 O ATOM 529 CB PHE A 36 10.464 6.486 -6.612 1.00 0.00 C ATOM 530 CG PHE A 36 11.391 6.902 -5.506 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.581 8.242 -5.211 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.073 5.952 -4.762 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.434 8.628 -4.193 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.926 6.332 -3.744 1.00 0.00 C ATOM 535 CZ PHE A 36 13.108 7.672 -3.460 1.00 0.00 C ATOM 0 H PHE A 36 9.920 5.334 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 36 10.307 7.996 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.451 6.802 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.452 5.398 -6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.057 8.994 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.936 4.903 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.573 9.676 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.450 5.582 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.776 7.971 -2.666 1.00 0.00 H new ATOM 545 N LYS A 37 13.127 6.331 -8.354 1.00 0.00 N ATOM 546 CA LYS A 37 14.576 6.473 -8.432 1.00 0.00 C ATOM 547 C LYS A 37 15.013 6.820 -9.852 1.00 0.00 C ATOM 548 O LYS A 37 15.742 7.789 -10.066 1.00 0.00 O ATOM 549 CB LYS A 37 15.261 5.182 -7.978 1.00 0.00 C ATOM 550 CG LYS A 37 15.327 5.027 -6.469 1.00 0.00 C ATOM 551 CD LYS A 37 15.276 3.565 -6.055 1.00 0.00 C ATOM 552 CE LYS A 37 16.585 2.853 -6.363 1.00 0.00 C ATOM 553 NZ LYS A 37 16.693 2.490 -7.803 1.00 0.00 N ATOM 0 H LYS A 37 12.783 5.397 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 37 14.872 7.287 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.728 4.330 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.273 5.156 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.246 5.480 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.497 5.565 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.065 3.495 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.458 3.067 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.421 3.495 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.660 1.952 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.165 1.568 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.742 2.435 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.248 3.214 -8.303 1.00 0.00 H new ATOM 567 N GLN A 38 14.561 6.025 -10.816 1.00 0.00 N ATOM 568 CA GLN A 38 14.906 6.251 -12.215 1.00 0.00 C ATOM 569 C GLN A 38 14.542 7.669 -12.643 1.00 0.00 C ATOM 570 O GLN A 38 15.394 8.424 -13.110 1.00 0.00 O ATOM 571 CB GLN A 38 14.190 5.236 -13.108 1.00 0.00 C ATOM 572 CG GLN A 38 14.616 3.798 -12.858 1.00 0.00 C ATOM 573 CD GLN A 38 15.931 3.454 -13.529 1.00 0.00 C ATOM 574 OE1 GLN A 38 15.967 3.120 -14.714 1.00 0.00 O ATOM 575 NE2 GLN A 38 17.020 3.533 -12.774 1.00 0.00 N ATOM 0 H GLN A 38 13.956 5.220 -10.655 1.00 0.00 H new ATOM 0 HA GLN A 38 15.983 6.124 -12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.115 5.320 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.379 5.486 -14.152 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.706 3.631 -11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.840 3.125 -13.222 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.944 3.814 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.933 3.313 -13.171 1.00 0.00 H new ATOM 584 N ASN A 39 13.272 8.023 -12.482 1.00 0.00 N ATOM 585 CA ASN A 39 12.795 9.350 -12.853 1.00 0.00 C ATOM 586 C ASN A 39 12.932 10.324 -11.686 1.00 0.00 C ATOM 587 O ASN A 39 13.719 11.267 -11.741 1.00 0.00 O ATOM 588 CB ASN A 39 11.335 9.282 -13.306 1.00 0.00 C ATOM 589 CG ASN A 39 10.947 10.457 -14.184 1.00 0.00 C ATOM 590 OD1 ASN A 39 11.225 10.468 -15.383 1.00 0.00 O ATOM 591 ND2 ASN A 39 10.302 11.453 -13.588 1.00 0.00 N ATOM 0 H ASN A 39 12.554 7.409 -12.097 1.00 0.00 H new ATOM 0 HA ASN A 39 13.408 9.711 -13.678 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.170 8.353 -13.852 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.686 9.256 -12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.016 12.270 -14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.093 11.401 -12.591 1.00 0.00 H new ATOM 598 N GLY A 40 12.160 10.086 -10.630 1.00 0.00 N ATOM 599 CA GLY A 40 12.210 10.949 -9.465 1.00 0.00 C ATOM 600 C GLY A 40 10.837 11.215 -8.880 1.00 0.00 C ATOM 601 O GLY A 40 9.999 11.856 -9.512 1.00 0.00 O ATOM 0 H GLY A 40 11.501 9.311 -10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.843 10.491 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.675 11.896 -9.738 1.00 0.00 H new ATOM 605 N GLY A 41 10.605 10.718 -7.668 1.00 0.00 N ATOM 606 CA GLY A 41 9.322 10.914 -7.020 1.00 0.00 C ATOM 607 C GLY A 41 9.442 11.000 -5.511 1.00 0.00 C ATOM 608 O GLY A 41 10.531 11.215 -4.978 1.00 0.00 O ATOM 0 H GLY A 41 11.283 10.184 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.863 11.828 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.656 10.092 -7.282 1.00 0.00 H new ATOM 612 N LYS A 42 8.320 10.833 -4.819 1.00 0.00 N ATOM 613 CA LYS A 42 8.303 10.893 -3.363 1.00 0.00 C ATOM 614 C LYS A 42 9.037 9.699 -2.760 1.00 0.00 C ATOM 615 O LYS A 42 8.895 8.562 -3.210 1.00 0.00 O ATOM 616 CB LYS A 42 6.861 10.930 -2.850 1.00 0.00 C ATOM 617 CG LYS A 42 6.079 12.144 -3.322 1.00 0.00 C ATOM 618 CD LYS A 42 4.582 11.941 -3.159 1.00 0.00 C ATOM 619 CE LYS A 42 3.795 13.105 -3.742 1.00 0.00 C ATOM 620 NZ LYS A 42 3.479 12.894 -5.181 1.00 0.00 N ATOM 0 H LYS A 42 7.410 10.655 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 42 8.815 11.805 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.345 10.027 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.871 10.916 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.392 13.022 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.308 12.341 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.283 11.016 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.342 11.831 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.869 13.234 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.368 14.025 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.048 13.756 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.354 12.678 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.814 12.100 -5.278 1.00 0.00 H new ATOM 634 N PRO A 43 9.839 9.961 -1.717 1.00 0.00 N ATOM 635 CA PRO A 43 10.609 8.920 -1.030 1.00 0.00 C ATOM 636 C PRO A 43 9.719 7.972 -0.233 1.00 0.00 C ATOM 637 O PRO A 43 10.209 7.069 0.446 1.00 0.00 O ATOM 638 CB PRO A 43 11.519 9.715 -0.091 1.00 0.00 C ATOM 639 CG PRO A 43 10.795 10.995 0.146 1.00 0.00 C ATOM 640 CD PRO A 43 10.055 11.293 -1.129 1.00 0.00 C ATOM 0 HA PRO A 43 11.148 8.282 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.690 9.179 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.496 9.891 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.106 10.904 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.491 11.798 0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.112 11.805 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.637 11.935 -1.791 1.00 0.00 H new ATOM 648 N TYR A 44 8.411 8.182 -0.321 1.00 0.00 N ATOM 649 CA TYR A 44 7.453 7.346 0.393 1.00 0.00 C ATOM 650 C TYR A 44 6.342 6.872 -0.538 1.00 0.00 C ATOM 651 O TYR A 44 6.285 7.263 -1.705 1.00 0.00 O ATOM 652 CB TYR A 44 6.852 8.116 1.571 1.00 0.00 C ATOM 653 CG TYR A 44 6.273 9.458 1.186 1.00 0.00 C ATOM 654 CD1 TYR A 44 7.072 10.594 1.137 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.927 9.590 0.868 1.00 0.00 C ATOM 656 CE1 TYR A 44 6.547 11.822 0.786 1.00 0.00 C ATOM 657 CE2 TYR A 44 4.393 10.815 0.515 1.00 0.00 C ATOM 658 CZ TYR A 44 5.207 11.927 0.476 1.00 0.00 C ATOM 659 OH TYR A 44 4.680 13.149 0.124 1.00 0.00 O ATOM 0 H TYR A 44 7.989 8.924 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 44 7.983 6.472 0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.070 7.510 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.623 8.266 2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.122 10.515 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.287 8.721 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.182 12.695 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.344 10.901 0.271 1.00 0.00 H new ATOM 0 HH TYR A 44 3.723 13.051 -0.065 1.00 0.00 H new ATOM 669 N LEU A 45 5.460 6.028 -0.015 1.00 0.00 N ATOM 670 CA LEU A 45 4.348 5.500 -0.798 1.00 0.00 C ATOM 671 C LEU A 45 3.098 5.351 0.063 1.00 0.00 C ATOM 672 O LEU A 45 3.154 4.816 1.170 1.00 0.00 O ATOM 673 CB LEU A 45 4.725 4.149 -1.408 1.00 0.00 C ATOM 674 CG LEU A 45 3.625 3.438 -2.198 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.607 3.921 -3.640 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.817 1.930 -2.141 1.00 0.00 C ATOM 0 H LEU A 45 5.493 5.694 0.948 1.00 0.00 H new ATOM 0 HA LEU A 45 4.132 6.206 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.580 4.297 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.052 3.489 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 45 2.664 3.679 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.818 3.404 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.420 4.995 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.570 3.711 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.025 1.441 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.785 1.670 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.779 1.597 -1.104 1.00 0.00 H new ATOM 688 N SER A 46 1.969 5.825 -0.455 1.00 0.00 N ATOM 689 CA SER A 46 0.705 5.746 0.267 1.00 0.00 C ATOM 690 C SER A 46 0.050 4.383 0.068 1.00 0.00 C ATOM 691 O SER A 46 0.024 3.849 -1.041 1.00 0.00 O ATOM 692 CB SER A 46 -0.243 6.853 -0.200 1.00 0.00 C ATOM 693 OG SER A 46 0.344 8.131 -0.033 1.00 0.00 O ATOM 0 H SER A 46 1.904 6.268 -1.372 1.00 0.00 H new ATOM 0 HA SER A 46 0.912 5.878 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.497 6.700 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.174 6.801 0.364 1.00 0.00 H new ATOM 0 HG SER A 46 -0.281 8.821 -0.340 1.00 0.00 H new ATOM 699 N VAL A 47 -0.479 3.823 1.152 1.00 0.00 N ATOM 700 CA VAL A 47 -1.135 2.522 1.098 1.00 0.00 C ATOM 701 C VAL A 47 -2.366 2.490 1.997 1.00 0.00 C ATOM 702 O VAL A 47 -2.265 2.666 3.212 1.00 0.00 O ATOM 703 CB VAL A 47 -0.176 1.392 1.519 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.880 0.045 1.459 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.066 1.394 0.641 1.00 0.00 C ATOM 0 H VAL A 47 -0.466 4.250 2.078 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.440 2.363 0.063 1.00 0.00 H new ATOM 0 HB VAL A 47 0.135 1.567 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.187 -0.741 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.736 0.052 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.221 -0.142 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.733 0.590 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.777 1.244 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.580 2.350 0.740 1.00 0.00 H new ATOM 715 N ILE A 48 -3.527 2.264 1.392 1.00 0.00 N ATOM 716 CA ILE A 48 -4.778 2.207 2.139 1.00 0.00 C ATOM 717 C ILE A 48 -5.243 0.767 2.322 1.00 0.00 C ATOM 718 O ILE A 48 -5.722 0.132 1.382 1.00 0.00 O ATOM 719 CB ILE A 48 -5.890 3.009 1.436 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.474 4.473 1.284 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.193 2.900 2.213 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.655 4.743 0.041 1.00 0.00 C ATOM 0 H ILE A 48 -3.628 2.117 0.388 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.584 2.650 3.116 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.047 2.591 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.368 5.096 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.899 4.772 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.969 3.472 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.494 1.854 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.051 3.296 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.396 5.801 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.743 4.147 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.235 4.476 -0.842 1.00 0.00 H new ATOM 734 N THR A 49 -5.102 0.256 3.541 1.00 0.00 N ATOM 735 CA THR A 49 -5.508 -1.110 3.850 1.00 0.00 C ATOM 736 C THR A 49 -6.943 -1.154 4.363 1.00 0.00 C ATOM 737 O THR A 49 -7.753 -1.958 3.903 1.00 0.00 O ATOM 738 CB THR A 49 -4.580 -1.749 4.900 1.00 0.00 C ATOM 739 OG1 THR A 49 -4.529 -0.929 6.072 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.177 -1.932 4.341 1.00 0.00 C ATOM 0 H THR A 49 -4.709 0.768 4.331 1.00 0.00 H new ATOM 0 HA THR A 49 -5.439 -1.677 2.922 1.00 0.00 H new ATOM 0 HB THR A 49 -4.981 -2.729 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.709 -0.393 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.539 -2.385 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.216 -2.580 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.769 -0.962 4.056 1.00 0.00 H new ATOM 748 N GLY A 50 -7.252 -0.283 5.319 1.00 0.00 N ATOM 749 CA GLY A 50 -8.591 -0.239 5.878 1.00 0.00 C ATOM 750 C GLY A 50 -8.615 -0.590 7.352 1.00 0.00 C ATOM 751 O GLY A 50 -8.208 -1.684 7.743 1.00 0.00 O ATOM 0 H GLY A 50 -6.599 0.393 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.007 0.759 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.232 -0.931 5.332 1.00 0.00 H new ATOM 755 N ARG A 51 -9.091 0.341 8.173 1.00 0.00 N ATOM 756 CA ARG A 51 -9.163 0.125 9.613 1.00 0.00 C ATOM 757 C ARG A 51 -10.328 0.900 10.221 1.00 0.00 C ATOM 758 O ARG A 51 -10.810 1.872 9.641 1.00 0.00 O ATOM 759 CB ARG A 51 -7.853 0.546 10.280 1.00 0.00 C ATOM 760 CG ARG A 51 -7.659 -0.042 11.668 1.00 0.00 C ATOM 761 CD ARG A 51 -6.190 -0.083 12.056 1.00 0.00 C ATOM 762 NE ARG A 51 -5.762 1.149 12.713 1.00 0.00 N ATOM 763 CZ ARG A 51 -6.180 1.523 13.918 1.00 0.00 C ATOM 764 NH1 ARG A 51 -7.031 0.763 14.593 1.00 0.00 N ATOM 765 NH2 ARG A 51 -5.746 2.659 14.449 1.00 0.00 N ATOM 0 H ARG A 51 -9.432 1.252 7.865 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.326 -0.939 9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.019 0.243 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.823 1.633 10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.212 0.551 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.073 -1.050 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.014 -0.928 12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.584 -0.248 11.165 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.107 1.756 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.366 -0.111 14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.350 1.052 15.518 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.091 3.246 13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.067 2.945 15.374 1.00 0.00 H new ATOM 779 N GLY A 52 -10.776 0.463 11.394 1.00 0.00 N ATOM 780 CA GLY A 52 -11.881 1.127 12.061 1.00 0.00 C ATOM 781 C GLY A 52 -13.207 0.434 11.816 1.00 0.00 C ATOM 782 O GLY A 52 -13.620 0.257 10.671 1.00 0.00 O ATOM 0 H GLY A 52 -10.393 -0.339 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.686 1.163 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.944 2.158 11.714 1.00 0.00 H new ATOM 786 N ASN A 53 -13.874 0.039 12.895 1.00 0.00 N ATOM 787 CA ASN A 53 -15.160 -0.641 12.792 1.00 0.00 C ATOM 788 C ASN A 53 -16.211 0.274 12.170 1.00 0.00 C ATOM 789 O ASN A 53 -16.442 1.386 12.646 1.00 0.00 O ATOM 790 CB ASN A 53 -15.627 -1.107 14.173 1.00 0.00 C ATOM 791 CG ASN A 53 -14.528 -1.807 14.949 1.00 0.00 C ATOM 792 OD1 ASN A 53 -14.438 -3.035 14.947 1.00 0.00 O ATOM 793 ND2 ASN A 53 -13.686 -1.027 15.616 1.00 0.00 N ATOM 0 H ASN A 53 -13.546 0.178 13.851 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.032 -1.510 12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.980 -0.248 14.743 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.474 -1.783 14.058 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.926 -1.441 16.156 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.799 -0.014 15.589 1.00 0.00 H new ATOM 800 N HIS A 54 -16.845 -0.202 11.103 1.00 0.00 N ATOM 801 CA HIS A 54 -17.872 0.572 10.416 1.00 0.00 C ATOM 802 C HIS A 54 -19.059 -0.311 10.041 1.00 0.00 C ATOM 803 O HIS A 54 -18.940 -1.535 9.983 1.00 0.00 O ATOM 804 CB HIS A 54 -17.293 1.228 9.161 1.00 0.00 C ATOM 805 CG HIS A 54 -16.450 2.431 9.449 1.00 0.00 C ATOM 806 ND1 HIS A 54 -15.204 2.628 8.892 1.00 0.00 N ATOM 807 CD2 HIS A 54 -16.680 3.505 10.241 1.00 0.00 C ATOM 808 CE1 HIS A 54 -14.704 3.770 9.329 1.00 0.00 C ATOM 809 NE2 HIS A 54 -15.581 4.322 10.149 1.00 0.00 N ATOM 0 H HIS A 54 -16.665 -1.120 10.696 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.221 1.350 11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.693 0.495 8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -18.111 1.517 8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -17.564 3.685 10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.742 4.182 9.062 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -15.461 5.211 10.635 1.00 0.00 H new ATOM 817 N SER A 55 -20.202 0.318 9.790 1.00 0.00 N ATOM 818 CA SER A 55 -21.412 -0.411 9.426 1.00 0.00 C ATOM 819 C SER A 55 -21.197 -1.214 8.146 1.00 0.00 C ATOM 820 O SER A 55 -21.473 -2.413 8.101 1.00 0.00 O ATOM 821 CB SER A 55 -22.581 0.558 9.243 1.00 0.00 C ATOM 822 OG SER A 55 -22.290 1.528 8.251 1.00 0.00 O ATOM 0 H SER A 55 -20.316 1.331 9.832 1.00 0.00 H new ATOM 0 HA SER A 55 -21.647 -1.103 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 55 -23.476 0.003 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.797 1.054 10.189 1.00 0.00 H new ATOM 0 HG SER A 55 -23.054 2.134 8.152 1.00 0.00 H new ATOM 828 N GLN A 56 -20.703 -0.544 7.110 1.00 0.00 N ATOM 829 CA GLN A 56 -20.452 -1.195 5.830 1.00 0.00 C ATOM 830 C GLN A 56 -18.999 -1.647 5.725 1.00 0.00 C ATOM 831 O GLN A 56 -18.124 -1.123 6.412 1.00 0.00 O ATOM 832 CB GLN A 56 -20.788 -0.247 4.677 1.00 0.00 C ATOM 833 CG GLN A 56 -22.281 -0.091 4.434 1.00 0.00 C ATOM 834 CD GLN A 56 -22.630 1.229 3.776 1.00 0.00 C ATOM 835 OE1 GLN A 56 -22.184 2.291 4.214 1.00 0.00 O ATOM 836 NE2 GLN A 56 -23.431 1.171 2.719 1.00 0.00 N ATOM 0 H GLN A 56 -20.469 0.449 7.132 1.00 0.00 H new ATOM 0 HA GLN A 56 -21.093 -2.075 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -20.358 0.733 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.316 -0.615 3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -22.630 -0.910 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -22.810 -0.170 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.777 0.270 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -23.700 2.028 2.236 1.00 0.00 H new ATOM 845 N GLY A 57 -18.750 -2.626 4.859 1.00 0.00 N ATOM 846 CA GLY A 57 -17.402 -3.133 4.681 1.00 0.00 C ATOM 847 C GLY A 57 -16.994 -4.095 5.778 1.00 0.00 C ATOM 848 O GLY A 57 -16.920 -5.303 5.557 1.00 0.00 O ATOM 0 H GLY A 57 -19.458 -3.076 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.331 -3.636 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.703 -2.297 4.657 1.00 0.00 H new ATOM 852 N GLY A 58 -16.727 -3.559 6.965 1.00 0.00 N ATOM 853 CA GLY A 58 -16.326 -4.393 8.083 1.00 0.00 C ATOM 854 C GLY A 58 -14.853 -4.254 8.410 1.00 0.00 C ATOM 855 O GLY A 58 -14.215 -3.273 8.030 1.00 0.00 O ATOM 0 H GLY A 58 -16.781 -2.562 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.916 -4.128 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.547 -5.435 7.853 1.00 0.00 H new ATOM 859 N VAL A 59 -14.310 -5.239 9.120 1.00 0.00 N ATOM 860 CA VAL A 59 -12.903 -5.223 9.499 1.00 0.00 C ATOM 861 C VAL A 59 -12.043 -5.922 8.452 1.00 0.00 C ATOM 862 O VAL A 59 -12.470 -6.897 7.835 1.00 0.00 O ATOM 863 CB VAL A 59 -12.682 -5.900 10.865 1.00 0.00 C ATOM 864 CG1 VAL A 59 -11.223 -5.797 11.282 1.00 0.00 C ATOM 865 CG2 VAL A 59 -13.590 -5.283 11.918 1.00 0.00 C ATOM 0 H VAL A 59 -14.824 -6.058 9.444 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.606 -4.177 9.568 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.935 -6.956 10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.086 -6.281 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.596 -6.289 10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.940 -4.747 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.421 -5.773 12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.370 -4.219 12.010 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.631 -5.414 11.623 1.00 0.00 H new ATOM 875 N ALA A 60 -10.829 -5.417 8.258 1.00 0.00 N ATOM 876 CA ALA A 60 -9.908 -5.995 7.288 1.00 0.00 C ATOM 877 C ALA A 60 -8.737 -6.681 7.984 1.00 0.00 C ATOM 878 O ALA A 60 -8.277 -6.231 9.034 1.00 0.00 O ATOM 879 CB ALA A 60 -9.403 -4.921 6.335 1.00 0.00 C ATOM 0 H ALA A 60 -10.461 -4.609 8.760 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.448 -6.749 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.716 -5.367 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.247 -4.479 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.884 -4.147 6.901 1.00 0.00 H new ATOM 885 N ARG A 61 -8.259 -7.771 7.393 1.00 0.00 N ATOM 886 CA ARG A 61 -7.143 -8.519 7.957 1.00 0.00 C ATOM 887 C ARG A 61 -5.875 -8.308 7.135 1.00 0.00 C ATOM 888 O ARG A 61 -4.924 -9.083 7.232 1.00 0.00 O ATOM 889 CB ARG A 61 -7.480 -10.010 8.019 1.00 0.00 C ATOM 890 CG ARG A 61 -6.755 -10.753 9.130 1.00 0.00 C ATOM 891 CD ARG A 61 -7.018 -12.249 9.063 1.00 0.00 C ATOM 892 NE ARG A 61 -8.413 -12.573 9.351 1.00 0.00 N ATOM 893 CZ ARG A 61 -9.367 -12.602 8.428 1.00 0.00 C ATOM 894 NH1 ARG A 61 -9.078 -12.327 7.163 1.00 0.00 N ATOM 895 NH2 ARG A 61 -10.613 -12.905 8.768 1.00 0.00 N ATOM 0 H ARG A 61 -8.628 -8.156 6.523 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.966 -8.150 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.555 -10.125 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.231 -10.470 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.684 -10.567 9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.078 -10.369 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.757 -12.619 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.372 -12.763 9.775 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.668 -12.789 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.121 -12.093 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.812 -12.350 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.839 -13.116 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.345 -12.927 8.058 1.00 0.00 H new ATOM 909 N ILE A 62 -5.870 -7.253 6.326 1.00 0.00 N ATOM 910 CA ILE A 62 -4.719 -6.940 5.488 1.00 0.00 C ATOM 911 C ILE A 62 -3.622 -6.253 6.295 1.00 0.00 C ATOM 912 O ILE A 62 -2.492 -6.736 6.365 1.00 0.00 O ATOM 913 CB ILE A 62 -5.114 -6.036 4.306 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.202 -6.706 3.464 1.00 0.00 C ATOM 915 CG2 ILE A 62 -3.895 -5.720 3.451 1.00 0.00 C ATOM 916 CD1 ILE A 62 -6.877 -5.766 2.490 1.00 0.00 C ATOM 0 H ILE A 62 -6.649 -6.602 6.233 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.343 -7.887 5.101 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.511 -5.100 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.762 -7.536 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.955 -7.130 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.190 -5.080 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.149 -5.206 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.472 -6.647 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.636 -6.309 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.346 -4.949 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.135 -5.361 1.801 1.00 0.00 H new ATOM 928 N LYS A 63 -3.964 -5.123 6.905 1.00 0.00 N ATOM 929 CA LYS A 63 -3.011 -4.369 7.710 1.00 0.00 C ATOM 930 C LYS A 63 -2.149 -5.305 8.552 1.00 0.00 C ATOM 931 O LYS A 63 -0.922 -5.206 8.575 1.00 0.00 O ATOM 932 CB LYS A 63 -3.747 -3.382 8.619 1.00 0.00 C ATOM 933 CG LYS A 63 -3.045 -2.042 8.756 1.00 0.00 C ATOM 934 CD LYS A 63 -3.580 -1.251 9.938 1.00 0.00 C ATOM 935 CE LYS A 63 -2.510 -0.348 10.534 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.097 0.876 11.147 1.00 0.00 N ATOM 0 H LYS A 63 -4.895 -4.709 6.857 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.361 -3.815 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.751 -3.218 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.860 -3.826 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.974 -2.202 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.178 -1.465 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.430 -0.648 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.945 -1.938 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.949 -0.899 11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.802 -0.061 9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.416 1.659 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.970 1.132 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.316 0.693 12.147 1.00 0.00 H new ATOM 950 N PRO A 64 -2.805 -6.238 9.259 1.00 0.00 N ATOM 951 CA PRO A 64 -2.118 -7.211 10.113 1.00 0.00 C ATOM 952 C PRO A 64 -0.946 -7.880 9.403 1.00 0.00 C ATOM 953 O PRO A 64 0.170 -7.913 9.922 1.00 0.00 O ATOM 954 CB PRO A 64 -3.208 -8.238 10.429 1.00 0.00 C ATOM 955 CG PRO A 64 -4.487 -7.483 10.305 1.00 0.00 C ATOM 956 CD PRO A 64 -4.266 -6.414 9.279 1.00 0.00 C ATOM 0 HA PRO A 64 -1.685 -6.743 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.175 -9.077 9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.086 -8.649 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.298 -8.145 10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.771 -7.046 11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.646 -6.713 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.776 -5.489 9.549 1.00 0.00 H new ATOM 964 N ALA A 65 -1.206 -8.413 8.214 1.00 0.00 N ATOM 965 CA ALA A 65 -0.172 -9.079 7.432 1.00 0.00 C ATOM 966 C ALA A 65 0.882 -8.085 6.956 1.00 0.00 C ATOM 967 O ALA A 65 2.080 -8.300 7.141 1.00 0.00 O ATOM 968 CB ALA A 65 -0.792 -9.803 6.245 1.00 0.00 C ATOM 0 H ALA A 65 -2.125 -8.396 7.771 1.00 0.00 H new ATOM 0 HA ALA A 65 0.320 -9.810 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.008 -10.296 5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.502 -10.548 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.310 -9.084 5.610 1.00 0.00 H new ATOM 974 N VAL A 66 0.429 -6.997 6.342 1.00 0.00 N ATOM 975 CA VAL A 66 1.333 -5.970 5.840 1.00 0.00 C ATOM 976 C VAL A 66 2.350 -5.566 6.902 1.00 0.00 C ATOM 977 O VAL A 66 3.545 -5.464 6.624 1.00 0.00 O ATOM 978 CB VAL A 66 0.562 -4.718 5.382 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.527 -3.603 5.008 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.355 -5.055 4.216 1.00 0.00 C ATOM 0 H VAL A 66 -0.559 -6.804 6.180 1.00 0.00 H new ATOM 0 HA VAL A 66 1.855 -6.399 4.985 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.054 -4.369 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.964 -2.727 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.138 -3.345 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.172 -3.937 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.892 -4.159 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.239 -5.430 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.070 -5.818 4.524 1.00 0.00 H new ATOM 990 N ILE A 67 1.868 -5.339 8.119 1.00 0.00 N ATOM 991 CA ILE A 67 2.735 -4.949 9.223 1.00 0.00 C ATOM 992 C ILE A 67 3.824 -5.990 9.462 1.00 0.00 C ATOM 993 O ILE A 67 4.977 -5.649 9.726 1.00 0.00 O ATOM 994 CB ILE A 67 1.936 -4.751 10.525 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.987 -3.558 10.390 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.879 -4.554 11.701 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.029 -3.413 11.551 1.00 0.00 C ATOM 0 H ILE A 67 0.881 -5.419 8.365 1.00 0.00 H new ATOM 0 HA ILE A 67 3.196 -4.002 8.942 1.00 0.00 H new ATOM 0 HB ILE A 67 1.341 -5.646 10.708 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.575 -2.645 10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.415 -3.662 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.299 -4.415 12.613 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.517 -5.431 11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.498 -3.674 11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.613 -2.547 11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.585 -4.310 11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.593 -3.277 12.474 1.00 0.00 H new ATOM 1009 N LYS A 68 3.450 -7.261 9.365 1.00 0.00 N ATOM 1010 CA LYS A 68 4.394 -8.354 9.567 1.00 0.00 C ATOM 1011 C LYS A 68 5.411 -8.411 8.433 1.00 0.00 C ATOM 1012 O LYS A 68 6.600 -8.633 8.662 1.00 0.00 O ATOM 1013 CB LYS A 68 3.649 -9.687 9.666 1.00 0.00 C ATOM 1014 CG LYS A 68 4.417 -10.759 10.420 1.00 0.00 C ATOM 1015 CD LYS A 68 3.883 -12.148 10.113 1.00 0.00 C ATOM 1016 CE LYS A 68 4.336 -13.162 11.152 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.644 -13.777 10.795 1.00 0.00 N ATOM 0 H LYS A 68 2.499 -7.560 9.148 1.00 0.00 H new ATOM 0 HA LYS A 68 4.927 -8.173 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.691 -9.523 10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.431 -10.047 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.473 -10.707 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.349 -10.571 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.794 -12.121 10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.224 -12.460 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.417 -12.675 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.582 -13.943 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.917 -14.462 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.560 -14.264 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.369 -13.035 10.727 1.00 0.00 H new ATOM 1031 N TYR A 69 4.937 -8.208 7.208 1.00 0.00 N ATOM 1032 CA TYR A 69 5.806 -8.237 6.038 1.00 0.00 C ATOM 1033 C TYR A 69 6.780 -7.063 6.053 1.00 0.00 C ATOM 1034 O TYR A 69 7.955 -7.211 5.713 1.00 0.00 O ATOM 1035 CB TYR A 69 4.971 -8.205 4.756 1.00 0.00 C ATOM 1036 CG TYR A 69 5.775 -7.876 3.518 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.295 -6.603 3.321 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.015 -8.839 2.546 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.028 -6.298 2.191 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.749 -8.544 1.414 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.253 -7.272 1.241 1.00 0.00 C ATOM 1042 OH TYR A 69 7.985 -6.973 0.114 1.00 0.00 O ATOM 0 H TYR A 69 3.956 -8.022 7.000 1.00 0.00 H new ATOM 0 HA TYR A 69 6.381 -9.163 6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.491 -9.174 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.175 -7.469 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.123 -5.839 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.621 -9.836 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.423 -5.302 2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.927 -9.305 0.669 1.00 0.00 H new ATOM 0 HH TYR A 69 8.052 -7.769 -0.453 1.00 0.00 H new ATOM 1052 N LEU A 70 6.284 -5.896 6.450 1.00 0.00 N ATOM 1053 CA LEU A 70 7.110 -4.695 6.511 1.00 0.00 C ATOM 1054 C LEU A 70 8.251 -4.869 7.508 1.00 0.00 C ATOM 1055 O LEU A 70 9.422 -4.714 7.159 1.00 0.00 O ATOM 1056 CB LEU A 70 6.257 -3.486 6.900 1.00 0.00 C ATOM 1057 CG LEU A 70 5.207 -3.048 5.878 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.208 -2.095 6.514 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.874 -2.400 4.673 1.00 0.00 C ATOM 0 H LEU A 70 5.314 -5.756 6.734 1.00 0.00 H new ATOM 0 HA LEU A 70 7.539 -4.527 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.750 -3.711 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.922 -2.644 7.091 1.00 0.00 H new ATOM 0 HG LEU A 70 4.668 -3.932 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.469 -1.794 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.707 -2.594 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.731 -1.213 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.112 -2.094 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.439 -1.526 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.549 -3.115 4.203 1.00 0.00 H new ATOM 1071 N ILE A 71 7.902 -5.192 8.749 1.00 0.00 N ATOM 1072 CA ILE A 71 8.897 -5.390 9.795 1.00 0.00 C ATOM 1073 C ILE A 71 10.033 -6.285 9.311 1.00 0.00 C ATOM 1074 O ILE A 71 11.206 -6.007 9.562 1.00 0.00 O ATOM 1075 CB ILE A 71 8.271 -6.011 11.057 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.168 -5.104 11.605 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.339 -6.254 12.114 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.154 -5.834 12.460 1.00 0.00 C ATOM 0 H ILE A 71 6.937 -5.322 9.054 1.00 0.00 H new ATOM 0 HA ILE A 71 9.294 -4.406 10.043 1.00 0.00 H new ATOM 0 HB ILE A 71 7.827 -6.970 10.790 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.623 -4.308 12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.652 -4.628 10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.881 -6.693 13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.093 -6.935 11.720 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.809 -5.307 12.380 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.402 -5.129 12.814 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.672 -6.612 11.868 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.657 -6.287 13.314 1.00 0.00 H new ATOM 1090 N SER A 72 9.677 -7.359 8.614 1.00 0.00 N ATOM 1091 CA SER A 72 10.666 -8.297 8.096 1.00 0.00 C ATOM 1092 C SER A 72 11.802 -7.556 7.397 1.00 0.00 C ATOM 1093 O SER A 72 12.972 -7.717 7.748 1.00 0.00 O ATOM 1094 CB SER A 72 10.009 -9.279 7.124 1.00 0.00 C ATOM 1095 OG SER A 72 10.984 -9.999 6.390 1.00 0.00 O ATOM 0 H SER A 72 8.711 -7.601 8.395 1.00 0.00 H new ATOM 0 HA SER A 72 11.080 -8.852 8.938 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.378 -9.975 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.360 -8.736 6.437 1.00 0.00 H new ATOM 0 HG SER A 72 10.539 -10.621 5.777 1.00 0.00 H new ATOM 1101 N HIS A 73 11.450 -6.744 6.406 1.00 0.00 N ATOM 1102 CA HIS A 73 12.439 -5.977 5.657 1.00 0.00 C ATOM 1103 C HIS A 73 12.831 -4.711 6.413 1.00 0.00 C ATOM 1104 O HIS A 73 13.550 -3.861 5.888 1.00 0.00 O ATOM 1105 CB HIS A 73 11.894 -5.612 4.276 1.00 0.00 C ATOM 1106 CG HIS A 73 11.132 -6.722 3.620 1.00 0.00 C ATOM 1107 ND1 HIS A 73 11.649 -7.989 3.446 1.00 0.00 N ATOM 1108 CD2 HIS A 73 9.885 -6.751 3.095 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.753 -8.749 2.842 1.00 0.00 C ATOM 1110 NE2 HIS A 73 9.673 -8.022 2.618 1.00 0.00 N ATOM 0 H HIS A 73 10.487 -6.600 6.103 1.00 0.00 H new ATOM 0 HA HIS A 73 13.327 -6.597 5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.244 -4.742 4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.724 -5.322 3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.186 -5.928 3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.882 -9.788 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.820 -8.351 2.165 1.00 0.00 H new ATOM 1118 N SER A 74 12.353 -4.593 7.648 1.00 0.00 N ATOM 1119 CA SER A 74 12.650 -3.429 8.474 1.00 0.00 C ATOM 1120 C SER A 74 12.142 -2.150 7.814 1.00 0.00 C ATOM 1121 O SER A 74 12.840 -1.136 7.781 1.00 0.00 O ATOM 1122 CB SER A 74 14.156 -3.324 8.722 1.00 0.00 C ATOM 1123 OG SER A 74 14.445 -2.343 9.703 1.00 0.00 O ATOM 0 H SER A 74 11.759 -5.289 8.098 1.00 0.00 H new ATOM 0 HA SER A 74 12.139 -3.552 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.543 -4.291 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.664 -3.072 7.791 1.00 0.00 H new ATOM 0 HG SER A 74 14.040 -1.490 9.442 1.00 0.00 H new ATOM 1129 N PHE A 75 10.922 -2.207 7.291 1.00 0.00 N ATOM 1130 CA PHE A 75 10.320 -1.055 6.630 1.00 0.00 C ATOM 1131 C PHE A 75 9.744 -0.081 7.654 1.00 0.00 C ATOM 1132 O PHE A 75 9.051 -0.484 8.589 1.00 0.00 O ATOM 1133 CB PHE A 75 9.220 -1.509 5.668 1.00 0.00 C ATOM 1134 CG PHE A 75 9.719 -1.793 4.280 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.370 -0.812 3.549 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.537 -3.041 3.706 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.829 -1.071 2.271 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.994 -3.305 2.428 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.642 -2.319 1.711 1.00 0.00 C ATOM 0 H PHE A 75 10.331 -3.038 7.312 1.00 0.00 H new ATOM 0 HA PHE A 75 11.099 -0.544 6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.747 -2.407 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.451 -0.739 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.520 0.166 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.032 -3.816 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.334 -0.298 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.844 -4.281 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.002 -2.524 0.714 1.00 0.00 H new ATOM 1149 N ARG A 76 10.037 1.202 7.471 1.00 0.00 N ATOM 1150 CA ARG A 76 9.550 2.234 8.379 1.00 0.00 C ATOM 1151 C ARG A 76 8.215 2.796 7.899 1.00 0.00 C ATOM 1152 O ARG A 76 8.124 3.363 6.809 1.00 0.00 O ATOM 1153 CB ARG A 76 10.576 3.362 8.500 1.00 0.00 C ATOM 1154 CG ARG A 76 10.288 4.329 9.637 1.00 0.00 C ATOM 1155 CD ARG A 76 11.534 5.099 10.043 1.00 0.00 C ATOM 1156 NE ARG A 76 11.844 6.174 9.104 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.237 7.355 9.112 1.00 0.00 C ATOM 1158 NH1 ARG A 76 10.293 7.612 10.007 1.00 0.00 N ATOM 1159 NH2 ARG A 76 11.575 8.282 8.225 1.00 0.00 N ATOM 0 H ARG A 76 10.609 1.552 6.702 1.00 0.00 H new ATOM 0 HA ARG A 76 9.402 1.780 9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.565 2.928 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.606 3.916 7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.510 5.029 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.903 3.778 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.393 5.518 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.380 4.414 10.102 1.00 0.00 H new ATOM 0 HE ARG A 76 12.567 6.008 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.032 6.902 10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.828 8.520 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.302 8.088 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.108 9.189 8.232 1.00 0.00 H new ATOM 1173 N PHE A 77 7.182 2.634 8.718 1.00 0.00 N ATOM 1174 CA PHE A 77 5.851 3.124 8.376 1.00 0.00 C ATOM 1175 C PHE A 77 5.163 3.726 9.598 1.00 0.00 C ATOM 1176 O PHE A 77 5.445 3.345 10.733 1.00 0.00 O ATOM 1177 CB PHE A 77 4.999 1.989 7.804 1.00 0.00 C ATOM 1178 CG PHE A 77 4.905 0.794 8.709 1.00 0.00 C ATOM 1179 CD1 PHE A 77 5.980 -0.068 8.853 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.742 0.534 9.416 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.897 -1.169 9.685 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.654 -0.565 10.250 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.732 -1.418 10.384 1.00 0.00 C ATOM 0 H PHE A 77 7.240 2.167 9.623 1.00 0.00 H new ATOM 0 HA PHE A 77 5.960 3.903 7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.995 2.364 7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.418 1.678 6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.893 0.122 8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.895 1.197 9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.742 -1.834 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.742 -0.757 10.797 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.664 -2.278 11.034 1.00 0.00 H new ATOM 1193 N SER A 78 4.259 4.669 9.355 1.00 0.00 N ATOM 1194 CA SER A 78 3.533 5.328 10.434 1.00 0.00 C ATOM 1195 C SER A 78 2.080 5.578 10.039 1.00 0.00 C ATOM 1196 O SER A 78 1.765 5.732 8.859 1.00 0.00 O ATOM 1197 CB SER A 78 4.208 6.651 10.799 1.00 0.00 C ATOM 1198 OG SER A 78 4.026 6.956 12.170 1.00 0.00 O ATOM 0 H SER A 78 4.012 4.994 8.420 1.00 0.00 H new ATOM 0 HA SER A 78 3.547 4.669 11.302 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.273 6.593 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.796 7.454 10.187 1.00 0.00 H new ATOM 0 HG SER A 78 4.468 7.805 12.378 1.00 0.00 H new ATOM 1204 N GLU A 79 1.200 5.615 11.035 1.00 0.00 N ATOM 1205 CA GLU A 79 -0.219 5.845 10.791 1.00 0.00 C ATOM 1206 C GLU A 79 -0.555 7.330 10.894 1.00 0.00 C ATOM 1207 O GLU A 79 -0.639 7.883 11.990 1.00 0.00 O ATOM 1208 CB GLU A 79 -1.065 5.049 11.786 1.00 0.00 C ATOM 1209 CG GLU A 79 -2.524 4.924 11.381 1.00 0.00 C ATOM 1210 CD GLU A 79 -3.425 4.562 12.546 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -3.400 5.288 13.562 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -4.153 3.553 12.443 1.00 0.00 O ATOM 0 H GLU A 79 1.445 5.489 12.017 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.447 5.508 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.640 4.051 11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.008 5.528 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.859 5.866 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.618 4.165 10.605 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.745 7.969 9.744 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.072 9.388 9.704 1.00 0.00 C ATOM 1221 C ILE A 80 -2.563 9.603 9.465 1.00 0.00 C ATOM 1222 O ILE A 80 -3.166 10.524 10.016 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.277 10.119 8.606 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.496 9.442 7.252 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.204 10.150 8.956 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.106 10.307 6.074 1.00 0.00 C ATOM 0 H ILE A 80 -0.678 7.526 8.828 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.799 9.801 10.675 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.636 11.146 8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.080 8.517 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.546 9.167 7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.753 10.670 8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.343 10.672 9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.578 9.130 9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.288 9.763 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.700 11.221 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.952 10.561 6.144 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.153 8.744 8.640 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.574 8.836 8.328 1.00 0.00 C ATOM 1240 C LYS A 81 -5.333 7.639 8.893 1.00 0.00 C ATOM 1241 O LYS A 81 -4.774 6.563 9.104 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.781 8.917 6.814 1.00 0.00 C ATOM 1243 CG LYS A 81 -3.644 9.606 6.081 1.00 0.00 C ATOM 1244 CD LYS A 81 -4.143 10.356 4.857 1.00 0.00 C ATOM 1245 CE LYS A 81 -4.196 9.453 3.634 1.00 0.00 C ATOM 1246 NZ LYS A 81 -4.257 10.236 2.368 1.00 0.00 N ATOM 0 H LYS A 81 -2.668 7.976 8.175 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.964 9.743 8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.900 7.909 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.709 9.451 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.143 10.301 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.903 8.866 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.136 10.760 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.488 11.204 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.317 8.808 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.068 8.802 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.292 9.584 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.109 10.832 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.413 10.838 2.291 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.637 7.829 9.142 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.501 6.775 9.683 1.00 0.00 C ATOM 1262 C PRO A 82 -7.755 5.660 8.676 1.00 0.00 C ATOM 1263 O PRO A 82 -8.806 5.614 8.037 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.803 7.514 10.004 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.809 8.687 9.086 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.370 9.086 8.915 1.00 0.00 C ATOM 0 HA PRO A 82 -7.052 6.282 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.671 6.877 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.833 7.828 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.259 8.430 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.394 9.506 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.180 9.488 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -7.079 9.855 9.630 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.786 4.760 8.538 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.925 3.656 7.606 1.00 0.00 C ATOM 1276 C GLY A 83 -5.887 3.695 6.502 1.00 0.00 C ATOM 1277 O GLY A 83 -6.081 3.106 5.438 1.00 0.00 O ATOM 0 H GLY A 83 -5.907 4.776 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.839 2.714 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.921 3.680 7.165 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.784 4.391 6.754 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.713 4.507 5.771 1.00 0.00 C ATOM 1283 C CYS A 84 -2.367 4.140 6.388 1.00 0.00 C ATOM 1284 O CYS A 84 -2.199 4.182 7.608 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.659 5.928 5.209 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.011 6.033 3.525 1.00 0.00 S ATOM 0 H CYS A 84 -4.608 4.883 7.630 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.922 3.811 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.663 6.353 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.041 6.543 5.863 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.595 4.861 3.146 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.411 3.780 5.539 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.079 3.404 6.001 1.00 0.00 C ATOM 1294 C LEU A 85 0.998 4.019 5.113 1.00 0.00 C ATOM 1295 O LEU A 85 1.184 3.608 3.968 1.00 0.00 O ATOM 1296 CB LEU A 85 0.065 1.881 6.017 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.544 1.162 7.221 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.354 -0.341 7.097 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.072 1.675 8.515 1.00 0.00 C ATOM 0 H LEU A 85 -1.533 3.740 4.527 1.00 0.00 H new ATOM 0 HA LEU A 85 0.049 3.786 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.393 1.483 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.126 1.636 5.971 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.614 1.371 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.794 -0.836 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.842 -0.696 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.711 -0.570 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.373 1.153 9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.147 1.496 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.117 2.744 8.609 1.00 0.00 H new ATOM 1311 N LYS A 86 1.708 5.006 5.651 1.00 0.00 N ATOM 1312 CA LYS A 86 2.770 5.676 4.911 1.00 0.00 C ATOM 1313 C LYS A 86 4.091 4.927 5.056 1.00 0.00 C ATOM 1314 O LYS A 86 4.661 4.858 6.145 1.00 0.00 O ATOM 1315 CB LYS A 86 2.932 7.116 5.402 1.00 0.00 C ATOM 1316 CG LYS A 86 3.938 7.923 4.600 1.00 0.00 C ATOM 1317 CD LYS A 86 3.717 9.417 4.770 1.00 0.00 C ATOM 1318 CE LYS A 86 4.911 10.217 4.272 1.00 0.00 C ATOM 1319 NZ LYS A 86 4.589 11.664 4.131 1.00 0.00 N ATOM 0 H LYS A 86 1.566 5.359 6.597 1.00 0.00 H new ATOM 0 HA LYS A 86 2.492 5.687 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.964 7.615 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.241 7.102 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.948 7.665 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.859 7.660 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.823 9.718 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.540 9.642 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.744 10.096 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.237 9.822 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.725 11.955 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.600 11.828 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.217 12.221 4.746 1.00 0.00 H new ATOM 1333 N VAL A 87 4.574 4.368 3.951 1.00 0.00 N ATOM 1334 CA VAL A 87 5.829 3.626 3.954 1.00 0.00 C ATOM 1335 C VAL A 87 6.920 4.388 3.211 1.00 0.00 C ATOM 1336 O VAL A 87 6.685 4.938 2.136 1.00 0.00 O ATOM 1337 CB VAL A 87 5.661 2.236 3.313 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.922 1.405 3.500 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.451 1.522 3.897 1.00 0.00 C ATOM 0 H VAL A 87 4.115 4.415 3.042 1.00 0.00 H new ATOM 0 HA VAL A 87 6.122 3.504 4.997 1.00 0.00 H new ATOM 0 HB VAL A 87 5.496 2.367 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.784 0.426 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.765 1.911 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.122 1.281 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.348 0.541 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.583 1.402 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.554 2.110 3.705 1.00 0.00 H new ATOM 1349 N MET A 88 8.115 4.416 3.792 1.00 0.00 N ATOM 1350 CA MET A 88 9.244 5.110 3.184 1.00 0.00 C ATOM 1351 C MET A 88 10.048 4.166 2.296 1.00 0.00 C ATOM 1352 O MET A 88 10.574 3.155 2.764 1.00 0.00 O ATOM 1353 CB MET A 88 10.147 5.705 4.265 1.00 0.00 C ATOM 1354 CG MET A 88 9.439 6.703 5.168 1.00 0.00 C ATOM 1355 SD MET A 88 9.218 8.312 4.385 1.00 0.00 S ATOM 1356 CE MET A 88 10.740 9.130 4.855 1.00 0.00 C ATOM 0 H MET A 88 8.326 3.966 4.683 1.00 0.00 H new ATOM 0 HA MET A 88 8.852 5.917 2.565 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.549 4.897 4.876 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.995 6.197 3.788 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.465 6.304 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.012 6.826 6.087 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.871 10.029 4.253 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.696 9.403 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.581 8.457 4.689 1.00 0.00 H new ATOM 1366 N LEU A 89 10.141 4.501 1.014 1.00 0.00 N ATOM 1367 CA LEU A 89 10.881 3.682 0.061 1.00 0.00 C ATOM 1368 C LEU A 89 12.385 3.846 0.255 1.00 0.00 C ATOM 1369 O LEU A 89 12.889 4.963 0.373 1.00 0.00 O ATOM 1370 CB LEU A 89 10.496 4.058 -1.371 1.00 0.00 C ATOM 1371 CG LEU A 89 9.036 3.821 -1.758 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.739 4.431 -3.119 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.719 2.332 -1.758 1.00 0.00 C ATOM 0 H LEU A 89 9.713 5.334 0.611 1.00 0.00 H new ATOM 0 HA LEU A 89 10.622 2.638 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.724 5.113 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.129 3.494 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 89 8.400 4.307 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.695 4.252 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.926 5.504 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.383 3.974 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.676 2.182 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.362 1.823 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.892 1.923 -0.762 1.00 0.00 H new ATOM 1385 N LYS A 90 13.098 2.725 0.285 1.00 0.00 N ATOM 1386 CA LYS A 90 14.545 2.743 0.461 1.00 0.00 C ATOM 1387 C LYS A 90 15.253 2.958 -0.873 1.00 0.00 C ATOM 1388 O LYS A 90 14.916 2.327 -1.874 1.00 0.00 O ATOM 1389 CB LYS A 90 15.019 1.433 1.096 1.00 0.00 C ATOM 1390 CG LYS A 90 15.007 1.455 2.615 1.00 0.00 C ATOM 1391 CD LYS A 90 13.598 1.307 3.164 1.00 0.00 C ATOM 1392 CE LYS A 90 13.467 1.942 4.540 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.044 2.050 4.967 1.00 0.00 N ATOM 0 H LYS A 90 12.697 1.792 0.190 1.00 0.00 H new ATOM 0 HA LYS A 90 14.795 3.572 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.383 0.619 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.030 1.217 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.634 0.649 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.440 2.390 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.889 1.771 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.339 0.250 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.021 1.349 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.919 2.934 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.980 2.649 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.483 2.474 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.674 1.103 5.184 1.00 0.00 H new ATOM 1407 N SER A 91 16.237 3.851 -0.878 1.00 0.00 N ATOM 1408 CA SER A 91 16.991 4.151 -2.090 1.00 0.00 C ATOM 1409 C SER A 91 18.427 4.544 -1.753 1.00 0.00 C ATOM 1410 O SER A 91 18.665 5.408 -0.910 1.00 0.00 O ATOM 1411 CB SER A 91 16.313 5.277 -2.872 1.00 0.00 C ATOM 1412 OG SER A 91 16.100 6.413 -2.051 1.00 0.00 O ATOM 0 H SER A 91 16.531 4.380 -0.057 1.00 0.00 H new ATOM 0 HA SER A 91 17.013 3.252 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.930 5.553 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.360 4.926 -3.267 1.00 0.00 H new ATOM 0 HG SER A 91 15.292 6.882 -2.345 1.00 0.00 H new ATOM 1418 N GLY A 92 19.381 3.901 -2.419 1.00 0.00 N ATOM 1419 CA GLY A 92 20.781 4.195 -2.178 1.00 0.00 C ATOM 1420 C GLY A 92 21.213 5.509 -2.798 1.00 0.00 C ATOM 1421 O GLY A 92 20.434 6.456 -2.902 1.00 0.00 O ATOM 0 H GLY A 92 19.209 3.182 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 92 20.963 4.227 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.393 3.388 -2.581 1.00 0.00 H new ATOM 1425 N PRO A 93 22.484 5.579 -3.221 1.00 0.00 N ATOM 1426 CA PRO A 93 23.047 6.783 -3.840 1.00 0.00 C ATOM 1427 C PRO A 93 22.468 7.047 -5.225 1.00 0.00 C ATOM 1428 O PRO A 93 22.980 6.549 -6.228 1.00 0.00 O ATOM 1429 CB PRO A 93 24.541 6.466 -3.936 1.00 0.00 C ATOM 1430 CG PRO A 93 24.612 4.978 -3.974 1.00 0.00 C ATOM 1431 CD PRO A 93 23.469 4.488 -3.128 1.00 0.00 C ATOM 0 HA PRO A 93 22.824 7.681 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 93 24.982 6.906 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 93 25.086 6.866 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 93 24.527 4.609 -4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 93 25.566 4.623 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 93 23.065 3.548 -3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 93 23.778 4.312 -2.098 1.00 0.00 H new ATOM 1439 N SER A 94 21.398 7.834 -5.274 1.00 0.00 N ATOM 1440 CA SER A 94 20.747 8.162 -6.537 1.00 0.00 C ATOM 1441 C SER A 94 20.711 9.672 -6.754 1.00 0.00 C ATOM 1442 O SER A 94 20.619 10.445 -5.800 1.00 0.00 O ATOM 1443 CB SER A 94 19.326 7.597 -6.565 1.00 0.00 C ATOM 1444 OG SER A 94 19.335 6.186 -6.432 1.00 0.00 O ATOM 0 H SER A 94 20.963 8.256 -4.454 1.00 0.00 H new ATOM 0 HA SER A 94 21.325 7.710 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.740 8.038 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.840 7.874 -7.500 1.00 0.00 H new ATOM 0 HG SER A 94 18.415 5.850 -6.451 1.00 0.00 H new ATOM 1450 N SER A 95 20.784 10.084 -8.015 1.00 0.00 N ATOM 1451 CA SER A 95 20.764 11.501 -8.359 1.00 0.00 C ATOM 1452 C SER A 95 19.336 12.038 -8.368 1.00 0.00 C ATOM 1453 O SER A 95 19.059 13.108 -7.828 1.00 0.00 O ATOM 1454 CB SER A 95 21.414 11.726 -9.725 1.00 0.00 C ATOM 1455 OG SER A 95 22.822 11.588 -9.650 1.00 0.00 O ATOM 0 H SER A 95 20.858 9.457 -8.816 1.00 0.00 H new ATOM 0 HA SER A 95 21.332 12.041 -7.601 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.013 11.011 -10.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.162 12.721 -10.091 1.00 0.00 H new ATOM 0 HG SER A 95 23.213 11.735 -10.537 1.00 0.00 H new ATOM 1461 N GLY A 96 18.431 11.284 -8.986 1.00 0.00 N ATOM 1462 CA GLY A 96 17.042 11.699 -9.054 1.00 0.00 C ATOM 1463 C GLY A 96 16.434 11.464 -10.423 1.00 0.00 C ATOM 1464 O GLY A 96 16.429 12.359 -11.269 1.00 0.00 O ATOM 0 H GLY A 96 18.635 10.394 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.466 11.155 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.969 12.758 -8.804 1.00 0.00 H new TER 1468 GLY A 96