USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 6 GLN : amide:sc= 0.16 K(o=-3,f=-4.9) USER MOD Set 1.2: A 110 MET CE :methyl 168:sc= -3.17! (180deg=-2.93!) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.28) USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 160:sc= 2.08 (180deg=1.27) USER MOD Set 3.2: A 65 TYR OH : rot 31:sc= -0.154 USER MOD Set 4.1: A 11 ASN : amide:sc= 0.98 K(o=2.2,f=-8!) USER MOD Set 4.2: A 57 LYS NZ :NH3+ -145:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.39 K(o=-0.34,f=-3.4!) USER MOD Set 5.2: A 25 TYR OH : rot -28:sc= 0.0492 USER MOD Set 6.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 19 SER OG : rot 67:sc= 1.25 USER MOD Set 7.1: A 10 CYS SG : rot -21:sc= -2.66! USER MOD Set 7.2: A 60 MET CE :methyl -150:sc= -2.77 (180deg=-0.787) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc=-0.00755 (180deg=-0.179) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc=-0.00743 (180deg=-0.144) USER MOD Single : A 9 HIS : no HD1:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -138:sc= 0.0011 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0141 (180deg=-0.168) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc=-0.00681 X(o=-0.0068,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0899) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -0.088 (180deg=-0.522) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 171:sc= -0.0754 USER MOD Single : A 62 ASN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 78 MET CE :methyl -139:sc= -0.783 (180deg=-3.52!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.4!) USER MOD Single : A 82 CYS SG : rot 48:sc= 0.135 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0295) USER MOD Single : A 85 TYR OH : rot -108:sc= 0.676 USER MOD Single : A 86 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.3) USER MOD Single : A 90 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-3.7!) USER MOD Single : A 95 MET CE :methyl -112:sc= -0.361 (180deg=-2.95!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.3) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc=-0.00559 (180deg=-0.792) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 282 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 288 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : B 291 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 292 SER OG : rot -88:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.094 12.676 -4.077 1.00 0.00 N ATOM 2 CA GLY A 1 20.178 11.646 -3.532 1.00 0.00 C ATOM 3 C GLY A 1 20.538 10.253 -4.009 1.00 0.00 C ATOM 4 O GLY A 1 20.083 9.815 -5.064 1.00 0.00 O ATOM 0 H1 GLY A 1 20.811 13.613 -3.725 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.067 12.471 -3.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.047 12.668 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.208 11.675 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.155 11.877 -3.829 1.00 0.00 H new ATOM 10 N LYS A 2 21.356 9.559 -3.234 1.00 0.00 N ATOM 11 CA LYS A 2 21.783 8.209 -3.576 1.00 0.00 C ATOM 12 C LYS A 2 20.842 7.186 -2.953 1.00 0.00 C ATOM 13 O LYS A 2 20.127 7.494 -2.000 1.00 0.00 O ATOM 14 CB LYS A 2 23.203 7.953 -3.061 1.00 0.00 C ATOM 15 CG LYS A 2 24.246 8.928 -3.581 1.00 0.00 C ATOM 16 CD LYS A 2 24.436 8.801 -5.083 1.00 0.00 C ATOM 17 CE LYS A 2 25.555 9.702 -5.580 1.00 0.00 C ATOM 18 NZ LYS A 2 25.303 11.132 -5.263 1.00 0.00 N ATOM 0 H LYS A 2 21.741 9.910 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 2 21.765 8.111 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.194 7.996 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.500 6.941 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.945 9.947 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.196 8.747 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.662 7.765 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.507 9.058 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.497 9.392 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.664 9.584 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.996 11.726 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.343 11.391 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.393 11.281 -4.238 1.00 0.00 H new ATOM 32 N LEU A 3 20.829 5.981 -3.502 1.00 0.00 N ATOM 33 CA LEU A 3 20.137 4.875 -2.862 1.00 0.00 C ATOM 34 C LEU A 3 21.131 4.049 -2.067 1.00 0.00 C ATOM 35 O LEU A 3 21.851 3.224 -2.629 1.00 0.00 O ATOM 36 CB LEU A 3 19.440 3.959 -3.873 1.00 0.00 C ATOM 37 CG LEU A 3 18.271 4.561 -4.653 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.746 3.548 -5.659 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.154 4.984 -3.713 1.00 0.00 C ATOM 0 H LEU A 3 21.286 5.746 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 3 19.375 5.305 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.185 3.614 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.077 3.079 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 3 18.628 5.445 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.913 3.982 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.542 3.279 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.406 2.656 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.334 5.409 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.796 4.116 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.530 5.731 -3.014 1.00 0.00 H new ATOM 51 N SER A 4 21.178 4.274 -0.767 1.00 0.00 N ATOM 52 CA SER A 4 22.062 3.510 0.098 1.00 0.00 C ATOM 53 C SER A 4 21.445 2.134 0.352 1.00 0.00 C ATOM 54 O SER A 4 20.366 1.845 -0.162 1.00 0.00 O ATOM 55 CB SER A 4 22.331 4.257 1.419 1.00 0.00 C ATOM 56 OG SER A 4 23.209 3.529 2.263 1.00 0.00 O ATOM 0 H SER A 4 20.617 4.977 -0.287 1.00 0.00 H new ATOM 0 HA SER A 4 23.026 3.383 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.761 5.235 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.388 4.431 1.938 1.00 0.00 H new ATOM 0 HG SER A 4 23.359 4.032 3.091 1.00 0.00 H new ATOM 62 N GLU A 5 22.111 1.302 1.142 1.00 0.00 N ATOM 63 CA GLU A 5 21.682 -0.082 1.354 1.00 0.00 C ATOM 64 C GLU A 5 20.216 -0.178 1.772 1.00 0.00 C ATOM 65 O GLU A 5 19.498 -1.077 1.331 1.00 0.00 O ATOM 66 CB GLU A 5 22.567 -0.761 2.396 1.00 0.00 C ATOM 67 CG GLU A 5 23.985 -1.000 1.910 1.00 0.00 C ATOM 68 CD GLU A 5 24.029 -1.859 0.663 1.00 0.00 C ATOM 69 OE1 GLU A 5 24.164 -3.094 0.791 1.00 0.00 O ATOM 70 OE2 GLU A 5 23.934 -1.303 -0.451 1.00 0.00 O ATOM 0 H GLU A 5 22.956 1.560 1.651 1.00 0.00 H new ATOM 0 HA GLU A 5 21.784 -0.597 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.597 -0.145 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.120 -1.715 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.463 -0.042 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.561 -1.481 2.700 1.00 0.00 H new ATOM 77 N GLN A 6 19.764 0.759 2.592 1.00 0.00 N ATOM 78 CA GLN A 6 18.377 0.735 3.057 1.00 0.00 C ATOM 79 C GLN A 6 17.421 1.142 1.936 1.00 0.00 C ATOM 80 O GLN A 6 16.395 0.497 1.730 1.00 0.00 O ATOM 81 CB GLN A 6 18.143 1.635 4.280 1.00 0.00 C ATOM 82 CG GLN A 6 18.432 0.988 5.631 1.00 0.00 C ATOM 83 CD GLN A 6 17.610 1.640 6.735 1.00 0.00 C ATOM 84 OE1 GLN A 6 17.322 2.835 6.665 1.00 0.00 O ATOM 85 NE2 GLN A 6 17.163 0.867 7.727 1.00 0.00 N ATOM 0 H GLN A 6 20.323 1.535 2.947 1.00 0.00 H new ATOM 0 HA GLN A 6 18.176 -0.293 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.766 2.524 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.106 1.970 4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.205 -0.077 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.494 1.078 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.418 -0.120 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.566 1.263 8.453 1.00 0.00 H new ATOM 94 N LEU A 7 17.761 2.201 1.203 1.00 0.00 N ATOM 95 CA LEU A 7 16.906 2.675 0.120 1.00 0.00 C ATOM 96 C LEU A 7 16.981 1.735 -1.082 1.00 0.00 C ATOM 97 O LEU A 7 16.055 1.651 -1.885 1.00 0.00 O ATOM 98 CB LEU A 7 17.277 4.100 -0.291 1.00 0.00 C ATOM 99 CG LEU A 7 17.036 5.158 0.781 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.591 6.498 0.333 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.551 5.277 1.098 1.00 0.00 C ATOM 0 H LEU A 7 18.615 2.742 1.339 1.00 0.00 H new ATOM 0 HA LEU A 7 15.879 2.684 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.330 4.120 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.706 4.367 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 7 17.555 4.851 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.412 7.243 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.663 6.407 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.097 6.807 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.402 6.037 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.008 5.560 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.178 4.319 1.460 1.00 0.00 H new ATOM 113 N LYS A 8 18.085 1.024 -1.205 1.00 0.00 N ATOM 114 CA LYS A 8 18.200 -0.003 -2.221 1.00 0.00 C ATOM 115 C LYS A 8 17.356 -1.202 -1.825 1.00 0.00 C ATOM 116 O LYS A 8 16.745 -1.856 -2.670 1.00 0.00 O ATOM 117 CB LYS A 8 19.660 -0.407 -2.417 1.00 0.00 C ATOM 118 CG LYS A 8 19.866 -1.489 -3.470 1.00 0.00 C ATOM 119 CD LYS A 8 19.310 -1.078 -4.828 1.00 0.00 C ATOM 120 CE LYS A 8 19.961 0.194 -5.350 1.00 0.00 C ATOM 121 NZ LYS A 8 21.433 0.047 -5.489 1.00 0.00 N ATOM 0 H LYS A 8 18.911 1.138 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 8 17.835 0.390 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.236 0.475 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.060 -0.759 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.930 -1.705 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.382 -2.409 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.467 -1.885 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.233 -0.928 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.529 0.452 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.741 1.019 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.817 0.866 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.867 -0.005 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.647 -0.823 -6.017 1.00 0.00 H new ATOM 135 N HIS A 9 17.302 -1.474 -0.530 1.00 0.00 N ATOM 136 CA HIS A 9 16.470 -2.549 -0.029 1.00 0.00 C ATOM 137 C HIS A 9 15.002 -2.170 -0.161 1.00 0.00 C ATOM 138 O HIS A 9 14.168 -3.019 -0.462 1.00 0.00 O ATOM 139 CB HIS A 9 16.799 -2.878 1.427 1.00 0.00 C ATOM 140 CG HIS A 9 16.700 -4.343 1.731 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.782 -5.118 2.083 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.635 -5.178 1.724 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.387 -6.363 2.276 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.088 -6.426 2.066 1.00 0.00 N ATOM 0 H HIS A 9 17.822 -0.967 0.186 1.00 0.00 H new ATOM 0 HA HIS A 9 16.671 -3.439 -0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.808 -2.533 1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.120 -2.330 2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.615 -4.910 1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.022 -7.190 2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.514 -7.265 2.145 1.00 0.00 H new ATOM 153 N CYS A 10 14.688 -0.892 0.052 1.00 0.00 N ATOM 154 CA CYS A 10 13.313 -0.427 -0.082 1.00 0.00 C ATOM 155 C CYS A 10 12.881 -0.488 -1.541 1.00 0.00 C ATOM 156 O CYS A 10 11.709 -0.717 -1.839 1.00 0.00 O ATOM 157 CB CYS A 10 13.127 0.990 0.493 1.00 0.00 C ATOM 158 SG CYS A 10 13.730 2.351 -0.528 1.00 0.00 S ATOM 0 H CYS A 10 15.360 -0.171 0.315 1.00 0.00 H new ATOM 0 HA CYS A 10 12.675 -1.091 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.065 1.147 0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.631 1.037 1.458 1.00 0.00 H new ATOM 0 HG CYS A 10 14.610 1.902 -1.374 1.00 0.00 H new ATOM 164 N ASN A 11 13.842 -0.315 -2.447 1.00 0.00 N ATOM 165 CA ASN A 11 13.577 -0.447 -3.872 1.00 0.00 C ATOM 166 C ASN A 11 13.205 -1.892 -4.196 1.00 0.00 C ATOM 167 O ASN A 11 12.268 -2.157 -4.951 1.00 0.00 O ATOM 168 CB ASN A 11 14.808 -0.035 -4.691 1.00 0.00 C ATOM 169 CG ASN A 11 14.537 -0.036 -6.185 1.00 0.00 C ATOM 170 OD1 ASN A 11 13.437 0.289 -6.630 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.534 -0.418 -6.971 1.00 0.00 N ATOM 0 H ASN A 11 14.808 -0.084 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 11 12.748 0.211 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.129 0.960 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.630 -0.716 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.403 -0.450 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 11 16.432 -0.680 -6.565 1.00 0.00 H new ATOM 178 N GLY A 12 13.935 -2.821 -3.583 1.00 0.00 N ATOM 179 CA GLY A 12 13.726 -4.235 -3.836 1.00 0.00 C ATOM 180 C GLY A 12 12.459 -4.765 -3.198 1.00 0.00 C ATOM 181 O GLY A 12 11.755 -5.586 -3.791 1.00 0.00 O ATOM 0 H GLY A 12 14.673 -2.616 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.684 -4.404 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.580 -4.797 -3.458 1.00 0.00 H new ATOM 185 N ILE A 13 12.168 -4.306 -1.985 1.00 0.00 N ATOM 186 CA ILE A 13 10.955 -4.708 -1.286 1.00 0.00 C ATOM 187 C ILE A 13 9.723 -4.229 -2.049 1.00 0.00 C ATOM 188 O ILE A 13 8.784 -4.993 -2.282 1.00 0.00 O ATOM 189 CB ILE A 13 10.915 -4.153 0.154 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.087 -4.709 0.972 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.594 -4.500 0.827 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.205 -4.109 2.353 1.00 0.00 C ATOM 0 H ILE A 13 12.757 -3.655 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 13 10.955 -5.797 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 13 11.003 -3.068 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.974 -5.789 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.015 -4.531 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.586 -4.100 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.771 -4.066 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.478 -5.583 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.056 -4.552 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.350 -3.032 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.294 -4.310 2.916 1.00 0.00 H new ATOM 204 N LEU A 14 9.745 -2.960 -2.444 1.00 0.00 N ATOM 205 CA LEU A 14 8.672 -2.373 -3.219 1.00 0.00 C ATOM 206 C LEU A 14 8.477 -3.131 -4.525 1.00 0.00 C ATOM 207 O LEU A 14 7.357 -3.482 -4.892 1.00 0.00 O ATOM 208 CB LEU A 14 9.003 -0.914 -3.514 1.00 0.00 C ATOM 209 CG LEU A 14 7.807 0.013 -3.555 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.280 1.447 -3.492 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.979 -0.211 -4.808 1.00 0.00 C ATOM 0 H LEU A 14 10.508 -2.316 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 14 7.748 -2.433 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.698 -0.554 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.520 -0.860 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 14 7.173 -0.202 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.420 2.116 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.833 1.607 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.929 1.654 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.128 0.470 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.593 -0.023 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.621 -1.240 -4.828 1.00 0.00 H new ATOM 223 N LYS A 15 9.584 -3.388 -5.212 1.00 0.00 N ATOM 224 CA LYS A 15 9.574 -4.116 -6.457 1.00 0.00 C ATOM 225 C LYS A 15 8.914 -5.478 -6.273 1.00 0.00 C ATOM 226 O LYS A 15 8.151 -5.934 -7.123 1.00 0.00 O ATOM 227 CB LYS A 15 11.015 -4.268 -6.947 1.00 0.00 C ATOM 228 CG LYS A 15 11.249 -5.537 -7.721 1.00 0.00 C ATOM 229 CD LYS A 15 10.648 -5.479 -9.111 1.00 0.00 C ATOM 230 CE LYS A 15 11.064 -6.688 -9.919 1.00 0.00 C ATOM 231 NZ LYS A 15 10.142 -6.940 -11.057 1.00 0.00 N ATOM 0 H LYS A 15 10.513 -3.092 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 15 8.995 -3.569 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.270 -3.415 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.688 -4.244 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.321 -5.721 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.819 -6.377 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.561 -5.437 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.971 -4.568 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.076 -6.541 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.090 -7.565 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.463 -7.777 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.181 -7.106 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.136 -6.114 -11.689 1.00 0.00 H new ATOM 245 N GLU A 16 9.201 -6.098 -5.144 1.00 0.00 N ATOM 246 CA GLU A 16 8.670 -7.422 -4.830 1.00 0.00 C ATOM 247 C GLU A 16 7.149 -7.386 -4.758 1.00 0.00 C ATOM 248 O GLU A 16 6.470 -8.220 -5.354 1.00 0.00 O ATOM 249 CB GLU A 16 9.230 -7.940 -3.505 1.00 0.00 C ATOM 250 CG GLU A 16 8.778 -9.354 -3.178 1.00 0.00 C ATOM 251 CD GLU A 16 9.332 -10.385 -4.136 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.439 -10.175 -4.681 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.662 -11.420 -4.340 1.00 0.00 O ATOM 0 H GLU A 16 9.804 -5.706 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 16 8.977 -8.097 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.319 -7.913 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.922 -7.271 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.089 -9.604 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.689 -9.396 -3.197 1.00 0.00 H new ATOM 260 N LEU A 17 6.623 -6.402 -4.039 1.00 0.00 N ATOM 261 CA LEU A 17 5.177 -6.237 -3.893 1.00 0.00 C ATOM 262 C LEU A 17 4.547 -5.888 -5.245 1.00 0.00 C ATOM 263 O LEU A 17 3.366 -6.134 -5.476 1.00 0.00 O ATOM 264 CB LEU A 17 4.879 -5.140 -2.859 1.00 0.00 C ATOM 265 CG LEU A 17 5.439 -5.380 -1.452 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.593 -4.054 -0.730 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.528 -6.295 -0.642 1.00 0.00 C ATOM 0 H LEU A 17 7.177 -5.702 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 17 4.744 -7.174 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.278 -4.197 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.798 -5.021 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 17 6.410 -5.865 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.991 -4.228 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.277 -3.414 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.621 -3.566 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.953 -6.446 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.543 -5.838 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.436 -7.257 -1.147 1.00 0.00 H new ATOM 279 N LEU A 18 5.362 -5.338 -6.141 1.00 0.00 N ATOM 280 CA LEU A 18 4.910 -4.950 -7.477 1.00 0.00 C ATOM 281 C LEU A 18 5.110 -6.070 -8.495 1.00 0.00 C ATOM 282 O LEU A 18 4.699 -5.957 -9.651 1.00 0.00 O ATOM 283 CB LEU A 18 5.678 -3.730 -7.955 1.00 0.00 C ATOM 284 CG LEU A 18 5.381 -2.438 -7.211 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.235 -1.319 -7.769 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.910 -2.077 -7.303 1.00 0.00 C ATOM 0 H LEU A 18 6.349 -5.149 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 18 3.845 -4.730 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.745 -3.939 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.463 -3.578 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 18 5.622 -2.584 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.019 -0.395 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.289 -1.571 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.013 -1.185 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.729 -1.149 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.632 -1.947 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.311 -2.876 -6.865 1.00 0.00 H new ATOM 298 N SER A 19 5.792 -7.118 -8.081 1.00 0.00 N ATOM 299 CA SER A 19 6.056 -8.255 -8.952 1.00 0.00 C ATOM 300 C SER A 19 4.804 -9.117 -9.119 1.00 0.00 C ATOM 301 O SER A 19 3.988 -9.240 -8.202 1.00 0.00 O ATOM 302 CB SER A 19 7.203 -9.090 -8.382 1.00 0.00 C ATOM 303 OG SER A 19 8.379 -8.306 -8.232 1.00 0.00 O ATOM 0 H SER A 19 6.178 -7.210 -7.141 1.00 0.00 H new ATOM 0 HA SER A 19 6.341 -7.880 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.912 -9.503 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.406 -9.934 -9.042 1.00 0.00 H new ATOM 0 HG SER A 19 8.235 -7.630 -7.537 1.00 0.00 H new ATOM 309 N LYS A 20 4.682 -9.724 -10.306 1.00 0.00 N ATOM 310 CA LYS A 20 3.510 -10.522 -10.679 1.00 0.00 C ATOM 311 C LYS A 20 3.258 -11.653 -9.695 1.00 0.00 C ATOM 312 O LYS A 20 2.133 -12.130 -9.568 1.00 0.00 O ATOM 313 CB LYS A 20 3.669 -11.100 -12.092 1.00 0.00 C ATOM 314 CG LYS A 20 3.232 -10.155 -13.213 1.00 0.00 C ATOM 315 CD LYS A 20 4.022 -8.853 -13.233 1.00 0.00 C ATOM 316 CE LYS A 20 3.547 -7.923 -14.345 1.00 0.00 C ATOM 317 NZ LYS A 20 4.390 -6.705 -14.443 1.00 0.00 N ATOM 0 H LYS A 20 5.394 -9.675 -11.035 1.00 0.00 H new ATOM 0 HA LYS A 20 2.651 -9.851 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.714 -11.369 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.090 -12.021 -12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.348 -10.659 -14.172 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.172 -9.929 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.921 -8.351 -12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.081 -9.072 -13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.565 -8.455 -15.296 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.512 -7.635 -14.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.036 -6.098 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.353 -6.184 -13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.373 -6.978 -14.644 1.00 0.00 H new ATOM 331 N LYS A 21 4.311 -12.075 -9.009 1.00 0.00 N ATOM 332 CA LYS A 21 4.212 -13.097 -7.976 1.00 0.00 C ATOM 333 C LYS A 21 3.206 -12.704 -6.891 1.00 0.00 C ATOM 334 O LYS A 21 2.547 -13.557 -6.302 1.00 0.00 O ATOM 335 CB LYS A 21 5.593 -13.333 -7.360 1.00 0.00 C ATOM 336 CG LYS A 21 5.575 -14.139 -6.077 1.00 0.00 C ATOM 337 CD LYS A 21 6.958 -14.220 -5.472 1.00 0.00 C ATOM 338 CE LYS A 21 6.930 -14.949 -4.146 1.00 0.00 C ATOM 339 NZ LYS A 21 8.239 -15.572 -3.819 1.00 0.00 N ATOM 0 H LYS A 21 5.256 -11.719 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 21 3.853 -14.018 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.220 -13.847 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.059 -12.368 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.888 -13.681 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.202 -15.143 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.630 -14.734 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.356 -13.215 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.654 -14.251 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.160 -15.720 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.172 -16.060 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.491 -16.258 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.971 -14.835 -3.766 1.00 0.00 H new ATOM 353 N HIS A 22 3.086 -11.409 -6.632 1.00 0.00 N ATOM 354 CA HIS A 22 2.183 -10.931 -5.591 1.00 0.00 C ATOM 355 C HIS A 22 1.030 -10.142 -6.195 1.00 0.00 C ATOM 356 O HIS A 22 0.042 -9.881 -5.519 1.00 0.00 O ATOM 357 CB HIS A 22 2.942 -10.068 -4.567 1.00 0.00 C ATOM 358 CG HIS A 22 4.122 -10.774 -3.958 1.00 0.00 C ATOM 359 ND1 HIS A 22 4.022 -11.647 -2.888 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.433 -10.747 -4.293 1.00 0.00 C ATOM 361 CE1 HIS A 22 5.221 -12.124 -2.595 1.00 0.00 C ATOM 362 NE2 HIS A 22 6.092 -11.591 -3.435 1.00 0.00 N ATOM 0 H HIS A 22 3.597 -10.675 -7.123 1.00 0.00 H new ATOM 0 HA HIS A 22 1.773 -11.800 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.284 -9.155 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.257 -9.769 -3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.878 -10.168 -5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.449 -12.826 -1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.095 -11.778 -3.444 1.00 0.00 H new ATOM 371 N ALA A 23 1.152 -9.800 -7.480 1.00 0.00 N ATOM 372 CA ALA A 23 0.165 -8.973 -8.183 1.00 0.00 C ATOM 373 C ALA A 23 -1.263 -9.472 -7.998 1.00 0.00 C ATOM 374 O ALA A 23 -2.196 -8.675 -7.914 1.00 0.00 O ATOM 375 CB ALA A 23 0.507 -8.913 -9.659 1.00 0.00 C ATOM 0 H ALA A 23 1.937 -10.088 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 23 0.210 -7.975 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.228 -8.298 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.498 -8.478 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.497 -9.920 -10.076 1.00 0.00 H new ATOM 381 N ALA A 24 -1.416 -10.790 -7.909 1.00 0.00 N ATOM 382 CA ALA A 24 -2.723 -11.421 -7.740 1.00 0.00 C ATOM 383 C ALA A 24 -3.464 -10.883 -6.515 1.00 0.00 C ATOM 384 O ALA A 24 -4.694 -10.920 -6.460 1.00 0.00 O ATOM 385 CB ALA A 24 -2.550 -12.927 -7.631 1.00 0.00 C ATOM 0 H ALA A 24 -0.640 -11.450 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.328 -11.182 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.525 -13.397 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.079 -13.306 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.921 -13.160 -6.772 1.00 0.00 H new ATOM 391 N TYR A 25 -2.715 -10.388 -5.539 1.00 0.00 N ATOM 392 CA TYR A 25 -3.301 -9.819 -4.332 1.00 0.00 C ATOM 393 C TYR A 25 -2.574 -8.535 -3.932 1.00 0.00 C ATOM 394 O TYR A 25 -2.650 -8.096 -2.787 1.00 0.00 O ATOM 395 CB TYR A 25 -3.291 -10.852 -3.190 1.00 0.00 C ATOM 396 CG TYR A 25 -2.016 -11.666 -3.082 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.873 -11.134 -2.508 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.967 -12.976 -3.543 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.286 -11.880 -2.402 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.812 -13.728 -3.441 1.00 0.00 C ATOM 401 CZ TYR A 25 0.313 -13.173 -2.870 1.00 0.00 C ATOM 402 OH TYR A 25 1.472 -13.911 -2.769 1.00 0.00 O ATOM 0 H TYR A 25 -1.695 -10.369 -5.560 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.339 -9.559 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.455 -10.332 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.130 -11.534 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.888 -10.120 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.847 -13.414 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.168 -11.448 -1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.791 -14.744 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 25 2.245 -13.309 -2.782 1.00 0.00 H new ATOM 412 N ALA A 26 -1.872 -7.936 -4.893 1.00 0.00 N ATOM 413 CA ALA A 26 -1.147 -6.690 -4.657 1.00 0.00 C ATOM 414 C ALA A 26 -1.707 -5.546 -5.505 1.00 0.00 C ATOM 415 O ALA A 26 -1.425 -4.369 -5.250 1.00 0.00 O ATOM 416 CB ALA A 26 0.339 -6.870 -4.947 1.00 0.00 C ATOM 0 H ALA A 26 -1.790 -8.295 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.277 -6.431 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.862 -5.931 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.746 -7.644 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.474 -7.165 -5.988 1.00 0.00 H new ATOM 422 N TRP A 27 -2.516 -5.889 -6.507 1.00 0.00 N ATOM 423 CA TRP A 27 -3.053 -4.891 -7.430 1.00 0.00 C ATOM 424 C TRP A 27 -3.823 -3.745 -6.731 1.00 0.00 C ATOM 425 O TRP A 27 -3.770 -2.614 -7.217 1.00 0.00 O ATOM 426 CB TRP A 27 -3.921 -5.538 -8.529 1.00 0.00 C ATOM 427 CG TRP A 27 -5.084 -6.353 -8.033 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.095 -7.698 -7.798 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.409 -5.884 -7.732 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.334 -8.091 -7.356 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.158 -6.999 -7.311 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.034 -4.631 -7.771 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.493 -6.900 -6.933 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.360 -4.537 -7.396 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.077 -5.666 -6.983 1.00 0.00 C ATOM 0 H TRP A 27 -2.813 -6.846 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.180 -4.435 -7.897 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.302 -4.750 -9.179 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.285 -6.177 -9.142 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.251 -8.357 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.598 -9.043 -7.102 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.489 -3.754 -8.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.049 -7.768 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.852 -3.576 -7.422 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.113 -5.559 -6.698 1.00 0.00 H new ATOM 446 N PRO A 28 -4.556 -3.980 -5.600 1.00 0.00 N ATOM 447 CA PRO A 28 -5.236 -2.891 -4.880 1.00 0.00 C ATOM 448 C PRO A 28 -4.294 -1.759 -4.474 1.00 0.00 C ATOM 449 O PRO A 28 -4.732 -0.630 -4.252 1.00 0.00 O ATOM 450 CB PRO A 28 -5.803 -3.543 -3.608 1.00 0.00 C ATOM 451 CG PRO A 28 -5.303 -4.951 -3.586 1.00 0.00 C ATOM 452 CD PRO A 28 -4.835 -5.291 -4.976 1.00 0.00 C ATOM 0 HA PRO A 28 -5.992 -2.441 -5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.478 -3.003 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.893 -3.520 -3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.487 -5.056 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.093 -5.633 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.944 -5.918 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.597 -5.840 -5.529 1.00 0.00 H new ATOM 460 N PHE A 29 -3.006 -2.060 -4.381 1.00 0.00 N ATOM 461 CA PHE A 29 -2.045 -1.100 -3.841 1.00 0.00 C ATOM 462 C PHE A 29 -1.102 -0.578 -4.916 1.00 0.00 C ATOM 463 O PHE A 29 -0.297 0.319 -4.654 1.00 0.00 O ATOM 464 CB PHE A 29 -1.229 -1.732 -2.716 1.00 0.00 C ATOM 465 CG PHE A 29 -2.004 -2.726 -1.902 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.682 -4.071 -1.949 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.064 -2.322 -1.105 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.399 -4.993 -1.220 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.783 -3.242 -0.371 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.449 -4.579 -0.430 1.00 0.00 C ATOM 0 H PHE A 29 -2.602 -2.951 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.618 -0.260 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.356 -2.226 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.860 -0.945 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.859 -4.401 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.329 -1.276 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.138 -6.040 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.606 -2.916 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.011 -5.302 0.143 1.00 0.00 H new ATOM 480 N TYR A 30 -1.174 -1.160 -6.110 1.00 0.00 N ATOM 481 CA TYR A 30 -0.384 -0.675 -7.240 1.00 0.00 C ATOM 482 C TYR A 30 -0.680 0.798 -7.506 1.00 0.00 C ATOM 483 O TYR A 30 0.232 1.624 -7.545 1.00 0.00 O ATOM 484 CB TYR A 30 -0.666 -1.504 -8.502 1.00 0.00 C ATOM 485 CG TYR A 30 0.052 -2.838 -8.529 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.538 -3.400 -7.364 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.255 -3.527 -9.720 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.206 -4.603 -7.371 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.921 -4.739 -9.735 1.00 0.00 C ATOM 490 CZ TYR A 30 1.396 -5.269 -8.557 1.00 0.00 C ATOM 491 OH TYR A 30 2.061 -6.469 -8.561 1.00 0.00 O ATOM 0 H TYR A 30 -1.767 -1.963 -6.320 1.00 0.00 H new ATOM 0 HA TYR A 30 0.670 -0.783 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.739 -1.678 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.373 -0.926 -9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.390 -2.884 -6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.113 -3.110 -10.646 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.579 -5.022 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.068 -5.267 -10.666 1.00 0.00 H new ATOM 0 HH TYR A 30 2.675 -6.500 -9.324 1.00 0.00 H new ATOM 501 N LYS A 31 -1.961 1.117 -7.667 1.00 0.00 N ATOM 502 CA LYS A 31 -2.393 2.479 -7.949 1.00 0.00 C ATOM 503 C LYS A 31 -3.626 2.835 -7.124 1.00 0.00 C ATOM 504 O LYS A 31 -4.332 1.942 -6.651 1.00 0.00 O ATOM 505 CB LYS A 31 -2.689 2.624 -9.442 1.00 0.00 C ATOM 506 CG LYS A 31 -1.435 2.650 -10.296 1.00 0.00 C ATOM 507 CD LYS A 31 -1.756 2.901 -11.759 1.00 0.00 C ATOM 508 CE LYS A 31 -0.509 2.815 -12.626 1.00 0.00 C ATOM 509 NZ LYS A 31 0.036 1.433 -12.682 1.00 0.00 N ATOM 0 H LYS A 31 -2.723 0.442 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.594 3.167 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.323 1.798 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.253 3.542 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.763 3.428 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.908 1.701 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.490 2.172 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.210 3.886 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.745 3.153 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.252 3.489 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.741 1.368 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.486 1.200 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.737 0.762 -12.868 1.00 0.00 H new ATOM 523 N PRO A 32 -3.894 4.143 -6.932 1.00 0.00 N ATOM 524 CA PRO A 32 -5.049 4.625 -6.162 1.00 0.00 C ATOM 525 C PRO A 32 -6.372 4.062 -6.674 1.00 0.00 C ATOM 526 O PRO A 32 -6.532 3.794 -7.868 1.00 0.00 O ATOM 527 CB PRO A 32 -5.014 6.151 -6.357 1.00 0.00 C ATOM 528 CG PRO A 32 -4.077 6.385 -7.491 1.00 0.00 C ATOM 529 CD PRO A 32 -3.087 5.262 -7.440 1.00 0.00 C ATOM 0 HA PRO A 32 -4.988 4.313 -5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.007 6.541 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.670 6.654 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.609 6.395 -8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.579 7.350 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.669 5.046 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.250 5.490 -6.780 1.00 0.00 H new ATOM 537 N VAL A 33 -7.315 3.884 -5.757 1.00 0.00 N ATOM 538 CA VAL A 33 -8.617 3.322 -6.088 1.00 0.00 C ATOM 539 C VAL A 33 -9.422 4.319 -6.915 1.00 0.00 C ATOM 540 O VAL A 33 -9.318 5.534 -6.719 1.00 0.00 O ATOM 541 CB VAL A 33 -9.400 2.915 -4.809 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.439 2.481 -3.720 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.323 4.018 -4.308 1.00 0.00 C ATOM 0 H VAL A 33 -7.200 4.123 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.457 2.419 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.039 2.074 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.001 2.199 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.857 1.627 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.767 3.304 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.844 3.678 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.735 4.905 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.052 4.262 -5.081 1.00 0.00 H new ATOM 553 N ASP A 34 -10.215 3.806 -7.837 1.00 0.00 N ATOM 554 CA ASP A 34 -10.986 4.656 -8.741 1.00 0.00 C ATOM 555 C ASP A 34 -12.282 5.083 -8.071 1.00 0.00 C ATOM 556 O ASP A 34 -13.363 4.687 -8.497 1.00 0.00 O ATOM 557 CB ASP A 34 -11.296 3.927 -10.055 1.00 0.00 C ATOM 558 CG ASP A 34 -10.051 3.527 -10.823 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.618 4.302 -11.704 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.510 2.429 -10.566 1.00 0.00 O ATOM 0 H ASP A 34 -10.346 2.805 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.388 5.537 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.884 3.035 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.912 4.570 -10.683 1.00 0.00 H new ATOM 565 N ALA A 35 -12.157 5.891 -7.020 1.00 0.00 N ATOM 566 CA ALA A 35 -13.290 6.278 -6.179 1.00 0.00 C ATOM 567 C ALA A 35 -14.475 6.767 -7.003 1.00 0.00 C ATOM 568 O ALA A 35 -15.607 6.347 -6.776 1.00 0.00 O ATOM 569 CB ALA A 35 -12.866 7.346 -5.184 1.00 0.00 C ATOM 0 H ALA A 35 -11.268 6.296 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.613 5.388 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.718 7.625 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.069 6.957 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.506 8.223 -5.723 1.00 0.00 H new ATOM 575 N SER A 36 -14.205 7.632 -7.969 1.00 0.00 N ATOM 576 CA SER A 36 -15.242 8.175 -8.837 1.00 0.00 C ATOM 577 C SER A 36 -15.994 7.048 -9.550 1.00 0.00 C ATOM 578 O SER A 36 -17.212 7.119 -9.752 1.00 0.00 O ATOM 579 CB SER A 36 -14.604 9.116 -9.863 1.00 0.00 C ATOM 580 OG SER A 36 -15.581 9.832 -10.600 1.00 0.00 O ATOM 0 H SER A 36 -13.267 7.976 -8.174 1.00 0.00 H new ATOM 0 HA SER A 36 -15.958 8.730 -8.230 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.947 9.819 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.982 8.539 -10.548 1.00 0.00 H new ATOM 0 HG SER A 36 -15.137 10.423 -11.243 1.00 0.00 H new ATOM 586 N ALA A 37 -15.264 6.001 -9.908 1.00 0.00 N ATOM 587 CA ALA A 37 -15.837 4.866 -10.611 1.00 0.00 C ATOM 588 C ALA A 37 -16.564 3.911 -9.662 1.00 0.00 C ATOM 589 O ALA A 37 -17.574 3.322 -10.036 1.00 0.00 O ATOM 590 CB ALA A 37 -14.758 4.127 -11.386 1.00 0.00 C ATOM 0 H ALA A 37 -14.265 5.916 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.578 5.253 -11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.201 3.279 -11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.304 4.802 -12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.994 3.769 -10.695 1.00 0.00 H new ATOM 596 N LEU A 38 -16.072 3.766 -8.428 1.00 0.00 N ATOM 597 CA LEU A 38 -16.728 2.843 -7.481 1.00 0.00 C ATOM 598 C LEU A 38 -17.823 3.556 -6.694 1.00 0.00 C ATOM 599 O LEU A 38 -18.450 2.968 -5.811 1.00 0.00 O ATOM 600 CB LEU A 38 -15.771 2.133 -6.505 1.00 0.00 C ATOM 601 CG LEU A 38 -14.416 1.690 -7.052 1.00 0.00 C ATOM 602 CD1 LEU A 38 -13.278 2.517 -6.467 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.218 0.240 -6.717 1.00 0.00 C ATOM 0 H LEU A 38 -15.253 4.253 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.158 2.062 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.593 2.800 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.281 1.253 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.406 1.839 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.329 2.173 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.424 3.567 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.265 2.403 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.254 -0.094 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.243 0.110 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.013 -0.350 -7.172 1.00 0.00 H new ATOM 615 N GLY A 39 -18.050 4.822 -7.021 1.00 0.00 N ATOM 616 CA GLY A 39 -19.106 5.583 -6.377 1.00 0.00 C ATOM 617 C GLY A 39 -18.681 6.136 -5.033 1.00 0.00 C ATOM 618 O GLY A 39 -19.510 6.566 -4.233 1.00 0.00 O ATOM 0 H GLY A 39 -17.520 5.338 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.406 6.405 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.981 4.946 -6.245 1.00 0.00 H new ATOM 622 N LEU A 40 -17.388 6.125 -4.782 1.00 0.00 N ATOM 623 CA LEU A 40 -16.848 6.604 -3.525 1.00 0.00 C ATOM 624 C LEU A 40 -16.583 8.100 -3.610 1.00 0.00 C ATOM 625 O LEU A 40 -15.487 8.532 -3.962 1.00 0.00 O ATOM 626 CB LEU A 40 -15.555 5.858 -3.191 1.00 0.00 C ATOM 627 CG LEU A 40 -15.571 4.358 -3.500 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.335 3.682 -2.940 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.830 3.697 -2.966 1.00 0.00 C ATOM 0 H LEU A 40 -16.685 5.786 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.574 6.419 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.736 6.318 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.340 5.992 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.567 4.243 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.367 2.617 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.445 4.124 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.304 3.818 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.810 2.633 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.879 3.828 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.705 4.155 -3.427 1.00 0.00 H new ATOM 641 N HIS A 41 -17.597 8.889 -3.293 1.00 0.00 N ATOM 642 CA HIS A 41 -17.490 10.342 -3.383 1.00 0.00 C ATOM 643 C HIS A 41 -16.866 10.907 -2.115 1.00 0.00 C ATOM 644 O HIS A 41 -16.755 12.121 -1.948 1.00 0.00 O ATOM 645 CB HIS A 41 -18.873 10.976 -3.597 1.00 0.00 C ATOM 646 CG HIS A 41 -19.647 10.407 -4.759 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.525 10.889 -6.045 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.559 9.395 -4.830 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.319 10.208 -6.849 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.955 9.299 -6.138 1.00 0.00 N ATOM 0 H HIS A 41 -18.504 8.551 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.854 10.581 -4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.461 10.850 -2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.748 12.048 -3.750 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.904 8.784 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.429 10.369 -7.911 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.634 8.631 -6.503 1.00 0.00 H new ATOM 659 N ASP A 42 -16.462 10.015 -1.221 1.00 0.00 N ATOM 660 CA ASP A 42 -15.944 10.423 0.075 1.00 0.00 C ATOM 661 C ASP A 42 -14.537 9.874 0.335 1.00 0.00 C ATOM 662 O ASP A 42 -14.070 9.876 1.472 1.00 0.00 O ATOM 663 CB ASP A 42 -16.890 9.952 1.185 1.00 0.00 C ATOM 664 CG ASP A 42 -18.207 10.705 1.212 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.373 11.587 2.083 1.00 0.00 O ATOM 666 OD2 ASP A 42 -19.089 10.414 0.373 1.00 0.00 O ATOM 0 H ASP A 42 -16.483 9.006 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.880 11.511 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.090 8.888 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.394 10.067 2.149 1.00 0.00 H new ATOM 671 N TYR A 43 -13.845 9.432 -0.713 1.00 0.00 N ATOM 672 CA TYR A 43 -12.554 8.772 -0.543 1.00 0.00 C ATOM 673 C TYR A 43 -11.487 9.746 -0.055 1.00 0.00 C ATOM 674 O TYR A 43 -10.681 9.408 0.812 1.00 0.00 O ATOM 675 CB TYR A 43 -12.128 8.107 -1.861 1.00 0.00 C ATOM 676 CG TYR A 43 -10.769 7.439 -1.832 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.625 6.142 -1.366 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.635 8.095 -2.298 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.395 5.514 -1.357 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.399 7.476 -2.290 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.285 6.186 -1.819 1.00 0.00 C ATOM 682 OH TYR A 43 -7.057 5.564 -1.814 1.00 0.00 O ATOM 0 H TYR A 43 -14.154 9.518 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.662 8.003 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.876 7.362 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.128 8.861 -2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.492 5.611 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.721 9.104 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.304 4.502 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.527 8.001 -2.651 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.380 6.174 -2.173 1.00 0.00 H new ATOM 692 N HIS A 44 -11.501 10.960 -0.583 1.00 0.00 N ATOM 693 CA HIS A 44 -10.502 11.957 -0.211 1.00 0.00 C ATOM 694 C HIS A 44 -10.896 12.686 1.069 1.00 0.00 C ATOM 695 O HIS A 44 -10.197 13.594 1.517 1.00 0.00 O ATOM 696 CB HIS A 44 -10.275 12.957 -1.348 1.00 0.00 C ATOM 697 CG HIS A 44 -9.413 12.421 -2.451 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.079 12.737 -2.581 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.698 11.584 -3.478 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.580 12.120 -3.636 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.542 11.413 -4.198 1.00 0.00 N ATOM 0 H HIS A 44 -12.187 11.280 -1.266 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.567 11.429 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.240 13.251 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.815 13.858 -0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.657 11.135 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.558 12.183 -3.980 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.443 10.834 -5.032 1.00 0.00 H new ATOM 710 N ASP A 45 -12.015 12.288 1.656 1.00 0.00 N ATOM 711 CA ASP A 45 -12.436 12.845 2.936 1.00 0.00 C ATOM 712 C ASP A 45 -11.982 11.948 4.074 1.00 0.00 C ATOM 713 O ASP A 45 -11.473 12.427 5.088 1.00 0.00 O ATOM 714 CB ASP A 45 -13.955 13.023 2.997 1.00 0.00 C ATOM 715 CG ASP A 45 -14.454 14.103 2.061 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.332 15.296 2.408 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.988 13.771 0.982 1.00 0.00 O ATOM 0 H ASP A 45 -12.646 11.585 1.270 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.972 13.826 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.438 12.079 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.247 13.269 4.018 1.00 0.00 H new ATOM 722 N ILE A 46 -12.171 10.646 3.906 1.00 0.00 N ATOM 723 CA ILE A 46 -11.753 9.681 4.911 1.00 0.00 C ATOM 724 C ILE A 46 -10.237 9.532 4.896 1.00 0.00 C ATOM 725 O ILE A 46 -9.578 9.698 5.918 1.00 0.00 O ATOM 726 CB ILE A 46 -12.430 8.289 4.714 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.888 8.308 5.183 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.684 7.192 5.469 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.813 9.159 4.345 1.00 0.00 C ATOM 0 H ILE A 46 -12.611 10.235 3.083 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.074 10.064 5.880 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.396 8.075 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.266 7.286 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.919 8.667 6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.183 6.236 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.659 7.131 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.676 7.424 6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.822 9.110 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.467 10.192 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.818 8.789 3.320 1.00 0.00 H new ATOM 741 N ILE A 47 -9.686 9.260 3.725 1.00 0.00 N ATOM 742 CA ILE A 47 -8.263 8.995 3.602 1.00 0.00 C ATOM 743 C ILE A 47 -7.466 10.295 3.528 1.00 0.00 C ATOM 744 O ILE A 47 -7.518 11.014 2.527 1.00 0.00 O ATOM 745 CB ILE A 47 -7.967 8.138 2.360 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.828 6.871 2.372 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.489 7.785 2.312 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.448 5.881 3.443 1.00 0.00 C ATOM 0 H ILE A 47 -10.202 9.217 2.846 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.957 8.445 4.492 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.215 8.710 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.872 7.155 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.754 6.385 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.288 7.178 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.898 8.700 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.220 7.224 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.104 5.012 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.415 5.566 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.550 6.348 4.423 1.00 0.00 H new ATOM 760 N LYS A 48 -6.738 10.596 4.597 1.00 0.00 N ATOM 761 CA LYS A 48 -5.921 11.802 4.654 1.00 0.00 C ATOM 762 C LYS A 48 -4.524 11.551 4.095 1.00 0.00 C ATOM 763 O LYS A 48 -3.844 12.476 3.651 1.00 0.00 O ATOM 764 CB LYS A 48 -5.833 12.308 6.090 1.00 0.00 C ATOM 765 CG LYS A 48 -7.146 12.870 6.601 1.00 0.00 C ATOM 766 CD LYS A 48 -7.530 14.146 5.869 1.00 0.00 C ATOM 767 CE LYS A 48 -9.001 14.456 6.030 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.420 14.488 7.456 1.00 0.00 N ATOM 0 H LYS A 48 -6.697 10.020 5.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.397 12.563 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.517 11.491 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.065 13.079 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.934 12.127 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.065 13.073 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.938 14.978 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.292 14.045 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.219 15.419 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.588 13.707 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.386 14.867 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.398 13.524 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.770 15.095 7.995 1.00 0.00 H new ATOM 782 N HIS A 49 -4.094 10.296 4.140 1.00 0.00 N ATOM 783 CA HIS A 49 -2.814 9.891 3.561 1.00 0.00 C ATOM 784 C HIS A 49 -3.000 8.837 2.463 1.00 0.00 C ATOM 785 O HIS A 49 -2.627 7.677 2.650 1.00 0.00 O ATOM 786 CB HIS A 49 -1.881 9.338 4.646 1.00 0.00 C ATOM 787 CG HIS A 49 -1.260 10.387 5.513 1.00 0.00 C ATOM 788 ND1 HIS A 49 0.000 10.894 5.287 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.725 11.022 6.614 1.00 0.00 C ATOM 790 CE1 HIS A 49 0.283 11.793 6.208 1.00 0.00 C ATOM 791 NE2 HIS A 49 -0.745 11.890 7.025 1.00 0.00 N ATOM 0 H HIS A 49 -4.616 9.535 4.574 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.366 10.779 3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.443 8.648 5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.089 8.761 4.169 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.687 10.873 7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.202 12.355 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.803 12.510 7.833 1.00 0.00 H new ATOM 800 N PRO A 50 -3.596 9.206 1.310 1.00 0.00 N ATOM 801 CA PRO A 50 -3.737 8.287 0.177 1.00 0.00 C ATOM 802 C PRO A 50 -2.400 8.009 -0.500 1.00 0.00 C ATOM 803 O PRO A 50 -1.867 8.849 -1.231 1.00 0.00 O ATOM 804 CB PRO A 50 -4.679 9.023 -0.778 1.00 0.00 C ATOM 805 CG PRO A 50 -4.495 10.463 -0.454 1.00 0.00 C ATOM 806 CD PRO A 50 -4.200 10.523 1.023 1.00 0.00 C ATOM 0 HA PRO A 50 -4.114 7.313 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.429 8.816 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.714 8.713 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.677 10.892 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.391 11.035 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.517 11.338 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.106 10.684 1.607 1.00 0.00 H new ATOM 814 N MET A 51 -1.855 6.834 -0.246 1.00 0.00 N ATOM 815 CA MET A 51 -0.579 6.449 -0.818 1.00 0.00 C ATOM 816 C MET A 51 -0.683 5.079 -1.471 1.00 0.00 C ATOM 817 O MET A 51 -1.492 4.248 -1.063 1.00 0.00 O ATOM 818 CB MET A 51 0.512 6.456 0.265 1.00 0.00 C ATOM 819 CG MET A 51 1.871 5.943 -0.211 1.00 0.00 C ATOM 820 SD MET A 51 2.446 6.789 -1.702 1.00 0.00 S ATOM 821 CE MET A 51 2.390 8.491 -1.167 1.00 0.00 C ATOM 0 H MET A 51 -2.278 6.127 0.355 1.00 0.00 H new ATOM 0 HA MET A 51 -0.305 7.172 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.631 7.473 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.179 5.845 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.605 6.076 0.584 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.804 4.873 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.191 9.051 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.428 8.926 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.517 8.537 -0.085 1.00 0.00 H new ATOM 831 N ASP A 52 0.124 4.870 -2.498 1.00 0.00 N ATOM 832 CA ASP A 52 0.172 3.605 -3.216 1.00 0.00 C ATOM 833 C ASP A 52 1.618 3.251 -3.532 1.00 0.00 C ATOM 834 O ASP A 52 2.490 4.118 -3.473 1.00 0.00 O ATOM 835 CB ASP A 52 -0.655 3.674 -4.507 1.00 0.00 C ATOM 836 CG ASP A 52 -0.226 4.818 -5.401 1.00 0.00 C ATOM 837 OD1 ASP A 52 -0.855 5.892 -5.332 1.00 0.00 O ATOM 838 OD2 ASP A 52 0.749 4.662 -6.161 1.00 0.00 O ATOM 0 H ASP A 52 0.767 5.575 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.259 2.829 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.556 2.734 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.709 3.788 -4.255 1.00 0.00 H new ATOM 843 N LEU A 53 1.876 2.001 -3.876 1.00 0.00 N ATOM 844 CA LEU A 53 3.247 1.540 -4.089 1.00 0.00 C ATOM 845 C LEU A 53 3.919 2.252 -5.259 1.00 0.00 C ATOM 846 O LEU A 53 5.113 2.564 -5.200 1.00 0.00 O ATOM 847 CB LEU A 53 3.274 0.029 -4.287 1.00 0.00 C ATOM 848 CG LEU A 53 3.136 -0.777 -3.000 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.889 -2.229 -3.323 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.373 -0.636 -2.136 1.00 0.00 C ATOM 0 H LEU A 53 1.162 1.286 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 53 3.818 1.789 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.468 -0.251 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.210 -0.245 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 53 2.286 -0.386 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.792 -2.796 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.971 -2.322 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.725 -2.620 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.249 -1.221 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.243 -0.999 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.519 0.413 -1.877 1.00 0.00 H new ATOM 862 N SER A 54 3.153 2.537 -6.300 1.00 0.00 N ATOM 863 CA SER A 54 3.698 3.208 -7.476 1.00 0.00 C ATOM 864 C SER A 54 4.157 4.630 -7.129 1.00 0.00 C ATOM 865 O SER A 54 5.135 5.127 -7.689 1.00 0.00 O ATOM 866 CB SER A 54 2.676 3.223 -8.621 1.00 0.00 C ATOM 867 OG SER A 54 3.079 4.084 -9.674 1.00 0.00 O ATOM 0 H SER A 54 2.159 2.317 -6.358 1.00 0.00 H new ATOM 0 HA SER A 54 4.569 2.646 -7.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.547 2.212 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.707 3.544 -8.239 1.00 0.00 H new ATOM 0 HG SER A 54 2.406 4.067 -10.386 1.00 0.00 H new ATOM 873 N THR A 55 3.461 5.273 -6.195 1.00 0.00 N ATOM 874 CA THR A 55 3.844 6.604 -5.746 1.00 0.00 C ATOM 875 C THR A 55 5.007 6.534 -4.762 1.00 0.00 C ATOM 876 O THR A 55 5.872 7.411 -4.756 1.00 0.00 O ATOM 877 CB THR A 55 2.672 7.356 -5.095 1.00 0.00 C ATOM 878 OG1 THR A 55 1.515 7.267 -5.935 1.00 0.00 O ATOM 879 CG2 THR A 55 3.035 8.812 -4.909 1.00 0.00 C ATOM 0 H THR A 55 2.632 4.894 -5.737 1.00 0.00 H new ATOM 0 HA THR A 55 4.151 7.155 -6.635 1.00 0.00 H new ATOM 0 HB THR A 55 2.459 6.906 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.735 7.618 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.200 9.339 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.912 8.889 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.255 9.259 -5.879 1.00 0.00 H new ATOM 887 N VAL A 56 5.036 5.492 -3.940 1.00 0.00 N ATOM 888 CA VAL A 56 6.152 5.289 -3.025 1.00 0.00 C ATOM 889 C VAL A 56 7.441 5.154 -3.819 1.00 0.00 C ATOM 890 O VAL A 56 8.445 5.800 -3.520 1.00 0.00 O ATOM 891 CB VAL A 56 5.963 4.034 -2.146 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.186 3.807 -1.267 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.719 4.170 -1.287 1.00 0.00 C ATOM 0 H VAL A 56 4.307 4.781 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 56 6.198 6.155 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 56 5.842 3.172 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.034 2.918 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.065 3.668 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.335 4.672 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.601 3.277 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.816 5.043 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.845 4.288 -1.928 1.00 0.00 H new ATOM 903 N LYS A 57 7.386 4.332 -4.859 1.00 0.00 N ATOM 904 CA LYS A 57 8.526 4.128 -5.735 1.00 0.00 C ATOM 905 C LYS A 57 8.848 5.419 -6.471 1.00 0.00 C ATOM 906 O LYS A 57 10.005 5.773 -6.648 1.00 0.00 O ATOM 907 CB LYS A 57 8.233 3.018 -6.741 1.00 0.00 C ATOM 908 CG LYS A 57 9.339 1.982 -6.840 1.00 0.00 C ATOM 909 CD LYS A 57 9.010 0.912 -7.864 1.00 0.00 C ATOM 910 CE LYS A 57 9.995 -0.244 -7.797 1.00 0.00 C ATOM 911 NZ LYS A 57 11.343 0.138 -8.289 1.00 0.00 N ATOM 0 H LYS A 57 6.558 3.794 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 57 9.384 3.834 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.304 2.521 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.073 3.462 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.274 2.472 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.493 1.519 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.000 0.541 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.025 1.347 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.072 -0.594 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.616 -1.077 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.776 -0.671 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.258 0.937 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.940 0.417 -7.484 1.00 0.00 H new ATOM 925 N ARG A 58 7.798 6.113 -6.882 1.00 0.00 N ATOM 926 CA ARG A 58 7.916 7.402 -7.558 1.00 0.00 C ATOM 927 C ARG A 58 8.719 8.395 -6.718 1.00 0.00 C ATOM 928 O ARG A 58 9.688 8.992 -7.190 1.00 0.00 O ATOM 929 CB ARG A 58 6.515 7.950 -7.805 1.00 0.00 C ATOM 930 CG ARG A 58 6.468 9.229 -8.617 1.00 0.00 C ATOM 931 CD ARG A 58 5.033 9.677 -8.829 1.00 0.00 C ATOM 932 NE ARG A 58 4.928 10.775 -9.788 1.00 0.00 N ATOM 933 CZ ARG A 58 3.793 11.415 -10.064 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.674 11.098 -9.424 1.00 0.00 N ATOM 935 NH2 ARG A 58 3.778 12.373 -10.981 1.00 0.00 N ATOM 0 H ARG A 58 6.835 5.800 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 58 8.443 7.262 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.927 7.189 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.035 8.129 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.027 10.012 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.951 9.072 -9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.440 8.833 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.608 9.989 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 58 5.775 11.069 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.681 10.362 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.807 11.591 -9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.636 12.620 -11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.909 12.863 -11.192 1.00 0.00 H new ATOM 949 N LYS A 59 8.306 8.557 -5.472 1.00 0.00 N ATOM 950 CA LYS A 59 8.960 9.481 -4.553 1.00 0.00 C ATOM 951 C LYS A 59 10.338 8.953 -4.152 1.00 0.00 C ATOM 952 O LYS A 59 11.257 9.730 -3.880 1.00 0.00 O ATOM 953 CB LYS A 59 8.069 9.713 -3.328 1.00 0.00 C ATOM 954 CG LYS A 59 6.744 10.381 -3.669 1.00 0.00 C ATOM 955 CD LYS A 59 5.704 10.235 -2.558 1.00 0.00 C ATOM 956 CE LYS A 59 6.196 10.768 -1.218 1.00 0.00 C ATOM 957 NZ LYS A 59 6.614 9.679 -0.293 1.00 0.00 N ATOM 0 H LYS A 59 7.514 8.057 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 59 9.109 10.439 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.872 8.757 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.606 10.331 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.915 11.440 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.350 9.948 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.796 10.766 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.438 9.183 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.036 11.442 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.405 11.354 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.239 10.068 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.773 9.261 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.123 8.946 -0.827 1.00 0.00 H new ATOM 971 N MET A 60 10.479 7.631 -4.121 1.00 0.00 N ATOM 972 CA MET A 60 11.784 7.003 -3.923 1.00 0.00 C ATOM 973 C MET A 60 12.707 7.323 -5.097 1.00 0.00 C ATOM 974 O MET A 60 13.898 7.567 -4.910 1.00 0.00 O ATOM 975 CB MET A 60 11.651 5.483 -3.785 1.00 0.00 C ATOM 976 CG MET A 60 12.980 4.771 -3.590 1.00 0.00 C ATOM 977 SD MET A 60 12.895 3.029 -4.042 1.00 0.00 S ATOM 978 CE MET A 60 11.522 2.508 -3.026 1.00 0.00 C ATOM 0 H MET A 60 9.707 6.973 -4.230 1.00 0.00 H new ATOM 0 HA MET A 60 12.209 7.402 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.001 5.259 -2.939 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.163 5.087 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.745 5.263 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.287 4.859 -2.548 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.647 1.460 -2.755 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.488 3.115 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.592 2.631 -3.581 1.00 0.00 H new ATOM 988 N GLU A 61 12.148 7.333 -6.306 1.00 0.00 N ATOM 989 CA GLU A 61 12.918 7.644 -7.506 1.00 0.00 C ATOM 990 C GLU A 61 13.372 9.096 -7.503 1.00 0.00 C ATOM 991 O GLU A 61 14.414 9.434 -8.061 1.00 0.00 O ATOM 992 CB GLU A 61 12.103 7.357 -8.768 1.00 0.00 C ATOM 993 CG GLU A 61 11.925 5.876 -9.060 1.00 0.00 C ATOM 994 CD GLU A 61 11.290 5.621 -10.410 1.00 0.00 C ATOM 995 OE1 GLU A 61 10.137 6.043 -10.623 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.944 4.988 -11.272 1.00 0.00 O ATOM 0 H GLU A 61 11.164 7.129 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 61 13.800 7.003 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.121 7.819 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.592 7.830 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.896 5.382 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.308 5.428 -8.282 1.00 0.00 H new ATOM 1003 N ASN A 62 12.591 9.952 -6.864 1.00 0.00 N ATOM 1004 CA ASN A 62 12.975 11.352 -6.696 1.00 0.00 C ATOM 1005 C ASN A 62 13.983 11.469 -5.569 1.00 0.00 C ATOM 1006 O ASN A 62 14.547 12.537 -5.319 1.00 0.00 O ATOM 1007 CB ASN A 62 11.764 12.245 -6.391 1.00 0.00 C ATOM 1008 CG ASN A 62 10.910 12.579 -7.605 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.322 13.662 -7.676 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.825 11.667 -8.560 1.00 0.00 N ATOM 0 H ASN A 62 11.690 9.707 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 62 13.414 11.691 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.140 11.749 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.116 13.174 -5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.259 11.848 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.325 10.783 -8.467 1.00 0.00 H new ATOM 1017 N ARG A 63 14.202 10.338 -4.906 1.00 0.00 N ATOM 1018 CA ARG A 63 15.143 10.222 -3.806 1.00 0.00 C ATOM 1019 C ARG A 63 14.775 11.165 -2.670 1.00 0.00 C ATOM 1020 O ARG A 63 15.642 11.704 -1.986 1.00 0.00 O ATOM 1021 CB ARG A 63 16.562 10.487 -4.307 1.00 0.00 C ATOM 1022 CG ARG A 63 16.933 9.661 -5.528 1.00 0.00 C ATOM 1023 CD ARG A 63 17.163 8.195 -5.186 1.00 0.00 C ATOM 1024 NE ARG A 63 17.296 7.371 -6.389 1.00 0.00 N ATOM 1025 CZ ARG A 63 18.464 7.019 -6.932 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.600 7.513 -6.457 1.00 0.00 N ATOM 1027 NH2 ARG A 63 18.493 6.195 -7.971 1.00 0.00 N ATOM 0 H ARG A 63 13.722 9.465 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 63 15.098 9.207 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.663 11.545 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.269 10.274 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.139 9.738 -6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.835 10.072 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.063 8.100 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.332 7.828 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 63 16.442 7.045 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.584 8.165 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.489 7.240 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.622 5.829 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.386 5.927 -8.385 1.00 0.00 H new ATOM 1041 N ASP A 64 13.473 11.348 -2.474 1.00 0.00 N ATOM 1042 CA ASP A 64 12.970 12.146 -1.357 1.00 0.00 C ATOM 1043 C ASP A 64 13.058 11.357 -0.061 1.00 0.00 C ATOM 1044 O ASP A 64 12.796 11.876 1.026 1.00 0.00 O ATOM 1045 CB ASP A 64 11.523 12.575 -1.596 1.00 0.00 C ATOM 1046 CG ASP A 64 11.417 13.890 -2.341 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.445 13.880 -3.589 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.296 14.943 -1.676 1.00 0.00 O ATOM 0 H ASP A 64 12.746 10.956 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 64 13.590 13.039 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.007 11.799 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.012 12.663 -0.637 1.00 0.00 H new ATOM 1053 N TYR A 65 13.413 10.093 -0.194 1.00 0.00 N ATOM 1054 CA TYR A 65 13.587 9.213 0.946 1.00 0.00 C ATOM 1055 C TYR A 65 15.047 9.221 1.364 1.00 0.00 C ATOM 1056 O TYR A 65 15.940 9.235 0.516 1.00 0.00 O ATOM 1057 CB TYR A 65 13.164 7.779 0.604 1.00 0.00 C ATOM 1058 CG TYR A 65 11.699 7.607 0.251 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.034 6.423 0.535 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.983 8.620 -0.370 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.700 6.258 0.211 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.657 8.463 -0.693 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.019 7.284 -0.404 1.00 0.00 C ATOM 1064 OH TYR A 65 7.690 7.139 -0.726 1.00 0.00 O ATOM 0 H TYR A 65 13.589 9.648 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 65 12.959 9.572 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.767 7.429 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.395 7.136 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.567 5.617 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.478 9.551 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.196 5.330 0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.118 9.266 -1.173 1.00 0.00 H new ATOM 0 HH TYR A 65 7.259 6.546 -0.076 1.00 0.00 H new ATOM 1074 N ARG A 66 15.286 9.239 2.659 1.00 0.00 N ATOM 1075 CA ARG A 66 16.639 9.209 3.180 1.00 0.00 C ATOM 1076 C ARG A 66 16.944 7.845 3.785 1.00 0.00 C ATOM 1077 O ARG A 66 18.093 7.402 3.800 1.00 0.00 O ATOM 1078 CB ARG A 66 16.810 10.310 4.229 1.00 0.00 C ATOM 1079 CG ARG A 66 18.180 10.341 4.885 1.00 0.00 C ATOM 1080 CD ARG A 66 18.307 11.509 5.845 1.00 0.00 C ATOM 1081 NE ARG A 66 19.641 11.585 6.435 1.00 0.00 N ATOM 1082 CZ ARG A 66 20.119 12.659 7.055 1.00 0.00 C ATOM 1083 NH1 ARG A 66 19.366 13.741 7.198 1.00 0.00 N ATOM 1084 NH2 ARG A 66 21.354 12.646 7.540 1.00 0.00 N ATOM 0 H ARG A 66 14.559 9.274 3.373 1.00 0.00 H new ATOM 0 HA ARG A 66 17.340 9.384 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.623 11.276 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.053 10.180 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.350 9.407 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.951 10.413 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.090 12.438 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.565 11.411 6.637 1.00 0.00 H new ATOM 0 HE ARG A 66 20.242 10.764 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.414 13.752 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.738 14.562 7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.934 11.813 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.724 13.469 8.016 1.00 0.00 H new ATOM 1098 N ASP A 67 15.904 7.164 4.255 1.00 0.00 N ATOM 1099 CA ASP A 67 16.074 5.890 4.929 1.00 0.00 C ATOM 1100 C ASP A 67 14.909 4.988 4.578 1.00 0.00 C ATOM 1101 O ASP A 67 13.836 5.466 4.200 1.00 0.00 O ATOM 1102 CB ASP A 67 16.141 6.082 6.452 1.00 0.00 C ATOM 1103 CG ASP A 67 17.363 6.856 6.906 1.00 0.00 C ATOM 1104 OD1 ASP A 67 17.232 8.067 7.185 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.454 6.254 7.001 1.00 0.00 O ATOM 0 H ASP A 67 14.936 7.476 4.180 1.00 0.00 H new ATOM 0 HA ASP A 67 17.010 5.438 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.244 6.604 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.138 5.105 6.935 1.00 0.00 H new ATOM 1110 N ALA A 68 15.110 3.683 4.707 1.00 0.00 N ATOM 1111 CA ALA A 68 14.056 2.725 4.402 1.00 0.00 C ATOM 1112 C ALA A 68 12.956 2.810 5.440 1.00 0.00 C ATOM 1113 O ALA A 68 11.871 2.269 5.260 1.00 0.00 O ATOM 1114 CB ALA A 68 14.600 1.317 4.345 1.00 0.00 C ATOM 0 H ALA A 68 15.987 3.266 5.019 1.00 0.00 H new ATOM 0 HA ALA A 68 13.647 2.974 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.791 0.623 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.364 1.253 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.039 1.057 5.308 1.00 0.00 H new ATOM 1120 N GLN A 69 13.258 3.485 6.537 1.00 0.00 N ATOM 1121 CA GLN A 69 12.271 3.740 7.566 1.00 0.00 C ATOM 1122 C GLN A 69 11.237 4.727 7.039 1.00 0.00 C ATOM 1123 O GLN A 69 10.055 4.636 7.354 1.00 0.00 O ATOM 1124 CB GLN A 69 12.927 4.297 8.826 1.00 0.00 C ATOM 1125 CG GLN A 69 11.983 4.351 10.010 1.00 0.00 C ATOM 1126 CD GLN A 69 11.660 2.978 10.557 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.713 2.325 10.120 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.451 2.525 11.513 1.00 0.00 N ATOM 0 H GLN A 69 14.183 3.866 6.735 1.00 0.00 H new ATOM 0 HA GLN A 69 11.785 2.799 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.789 3.681 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.302 5.300 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.429 4.957 10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.059 4.846 9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.226 3.098 11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.287 1.603 11.916 1.00 0.00 H new ATOM 1137 N GLU A 70 11.699 5.663 6.216 1.00 0.00 N ATOM 1138 CA GLU A 70 10.816 6.614 5.567 1.00 0.00 C ATOM 1139 C GLU A 70 9.995 5.911 4.500 1.00 0.00 C ATOM 1140 O GLU A 70 8.854 6.284 4.233 1.00 0.00 O ATOM 1141 CB GLU A 70 11.611 7.774 4.971 1.00 0.00 C ATOM 1142 CG GLU A 70 12.166 8.713 6.023 1.00 0.00 C ATOM 1143 CD GLU A 70 12.749 9.969 5.421 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.824 9.885 4.801 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.141 11.049 5.575 1.00 0.00 O ATOM 0 H GLU A 70 12.686 5.780 5.985 1.00 0.00 H new ATOM 0 HA GLU A 70 10.137 7.028 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.433 7.376 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.970 8.336 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.373 8.982 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.935 8.197 6.597 1.00 0.00 H new ATOM 1152 N PHE A 71 10.582 4.880 3.908 1.00 0.00 N ATOM 1153 CA PHE A 71 9.851 4.010 2.998 1.00 0.00 C ATOM 1154 C PHE A 71 8.781 3.241 3.764 1.00 0.00 C ATOM 1155 O PHE A 71 7.617 3.237 3.372 1.00 0.00 O ATOM 1156 CB PHE A 71 10.804 3.039 2.288 1.00 0.00 C ATOM 1157 CG PHE A 71 10.130 1.787 1.784 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.497 1.769 0.555 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.136 0.627 2.546 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.882 0.619 0.093 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.520 -0.523 2.092 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.892 -0.527 0.863 1.00 0.00 C ATOM 0 H PHE A 71 11.561 4.626 4.041 1.00 0.00 H new ATOM 0 HA PHE A 71 9.370 4.626 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.272 3.552 1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.602 2.760 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.482 2.663 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.629 0.623 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.394 0.618 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.530 -1.417 2.698 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.410 -1.424 0.504 1.00 0.00 H new ATOM 1172 N ALA A 72 9.191 2.594 4.858 1.00 0.00 N ATOM 1173 CA ALA A 72 8.275 1.851 5.708 1.00 0.00 C ATOM 1174 C ALA A 72 7.136 2.742 6.174 1.00 0.00 C ATOM 1175 O ALA A 72 5.992 2.305 6.278 1.00 0.00 O ATOM 1176 CB ALA A 72 9.017 1.266 6.901 1.00 0.00 C ATOM 0 H ALA A 72 10.161 2.574 5.173 1.00 0.00 H new ATOM 0 HA ALA A 72 7.852 1.032 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.318 0.713 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.799 0.594 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.466 2.072 7.481 1.00 0.00 H new ATOM 1182 N ALA A 73 7.467 3.997 6.435 1.00 0.00 N ATOM 1183 CA ALA A 73 6.488 4.999 6.805 1.00 0.00 C ATOM 1184 C ALA A 73 5.416 5.136 5.721 1.00 0.00 C ATOM 1185 O ALA A 73 4.219 5.081 6.010 1.00 0.00 O ATOM 1186 CB ALA A 73 7.188 6.326 7.048 1.00 0.00 C ATOM 0 H ALA A 73 8.424 4.347 6.395 1.00 0.00 H new ATOM 0 HA ALA A 73 5.990 4.689 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.452 7.080 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.914 6.212 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.701 6.638 6.139 1.00 0.00 H new ATOM 1192 N ASP A 74 5.858 5.276 4.475 1.00 0.00 N ATOM 1193 CA ASP A 74 4.964 5.459 3.342 1.00 0.00 C ATOM 1194 C ASP A 74 4.151 4.197 3.047 1.00 0.00 C ATOM 1195 O ASP A 74 2.924 4.246 2.956 1.00 0.00 O ATOM 1196 CB ASP A 74 5.780 5.838 2.107 1.00 0.00 C ATOM 1197 CG ASP A 74 5.935 7.335 1.914 1.00 0.00 C ATOM 1198 OD1 ASP A 74 6.910 7.908 2.433 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.104 7.943 1.206 1.00 0.00 O ATOM 0 H ASP A 74 6.847 5.265 4.225 1.00 0.00 H new ATOM 0 HA ASP A 74 4.264 6.256 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.769 5.386 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.303 5.414 1.223 1.00 0.00 H new ATOM 1204 N VAL A 75 4.838 3.067 2.904 1.00 0.00 N ATOM 1205 CA VAL A 75 4.185 1.820 2.505 1.00 0.00 C ATOM 1206 C VAL A 75 3.213 1.314 3.574 1.00 0.00 C ATOM 1207 O VAL A 75 2.106 0.879 3.251 1.00 0.00 O ATOM 1208 CB VAL A 75 5.212 0.715 2.145 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.227 0.521 3.255 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.521 -0.604 1.825 1.00 0.00 C ATOM 0 H VAL A 75 5.843 2.987 3.057 1.00 0.00 H new ATOM 0 HA VAL A 75 3.610 2.051 1.608 1.00 0.00 H new ATOM 0 HB VAL A 75 5.741 1.048 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.932 -0.260 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.766 1.453 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.713 0.230 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.270 -1.356 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.948 -0.934 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.850 -0.467 0.977 1.00 0.00 H new ATOM 1220 N ARG A 76 3.603 1.389 4.842 1.00 0.00 N ATOM 1221 CA ARG A 76 2.733 0.915 5.911 1.00 0.00 C ATOM 1222 C ARG A 76 1.544 1.860 6.073 1.00 0.00 C ATOM 1223 O ARG A 76 0.461 1.443 6.479 1.00 0.00 O ATOM 1224 CB ARG A 76 3.502 0.747 7.235 1.00 0.00 C ATOM 1225 CG ARG A 76 3.240 1.832 8.270 1.00 0.00 C ATOM 1226 CD ARG A 76 4.035 1.590 9.548 1.00 0.00 C ATOM 1227 NE ARG A 76 3.753 0.279 10.130 1.00 0.00 N ATOM 1228 CZ ARG A 76 4.461 -0.272 11.117 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.476 0.386 11.664 1.00 0.00 N ATOM 1230 NH2 ARG A 76 4.146 -1.482 11.562 1.00 0.00 N ATOM 0 H ARG A 76 4.499 1.766 5.151 1.00 0.00 H new ATOM 0 HA ARG A 76 2.358 -0.071 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.243 -0.219 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.570 0.723 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.505 2.804 7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.176 1.864 8.503 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.101 1.669 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.798 2.367 10.275 1.00 0.00 H new ATOM 0 HE ARG A 76 2.964 -0.249 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.718 1.319 11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.013 -0.041 12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.363 -1.989 11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.687 -1.905 12.317 1.00 0.00 H new ATOM 1244 N LEU A 77 1.749 3.133 5.728 1.00 0.00 N ATOM 1245 CA LEU A 77 0.671 4.113 5.728 1.00 0.00 C ATOM 1246 C LEU A 77 -0.378 3.745 4.686 1.00 0.00 C ATOM 1247 O LEU A 77 -1.571 3.978 4.876 1.00 0.00 O ATOM 1248 CB LEU A 77 1.225 5.505 5.434 1.00 0.00 C ATOM 1249 CG LEU A 77 0.986 6.550 6.519 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.542 7.888 6.081 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.497 6.655 6.841 1.00 0.00 C ATOM 0 H LEU A 77 2.655 3.506 5.445 1.00 0.00 H new ATOM 0 HA LEU A 77 0.205 4.116 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.299 5.421 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.783 5.864 4.505 1.00 0.00 H new ATOM 0 HG LEU A 77 1.505 6.242 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.367 8.628 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.613 7.796 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.047 8.205 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.649 7.405 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.044 6.945 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.862 5.690 7.193 1.00 0.00 H new ATOM 1263 N MET A 78 0.079 3.168 3.585 1.00 0.00 N ATOM 1264 CA MET A 78 -0.817 2.711 2.536 1.00 0.00 C ATOM 1265 C MET A 78 -1.721 1.591 3.052 1.00 0.00 C ATOM 1266 O MET A 78 -2.942 1.672 2.935 1.00 0.00 O ATOM 1267 CB MET A 78 -0.020 2.264 1.309 1.00 0.00 C ATOM 1268 CG MET A 78 -0.858 1.565 0.251 1.00 0.00 C ATOM 1269 SD MET A 78 -0.767 -0.227 0.387 1.00 0.00 S ATOM 1270 CE MET A 78 0.930 -0.513 -0.111 1.00 0.00 C ATOM 0 H MET A 78 1.068 3.005 3.395 1.00 0.00 H new ATOM 0 HA MET A 78 -1.456 3.541 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.459 3.135 0.862 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.776 1.592 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.897 1.883 0.344 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.519 1.870 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.977 -1.392 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.300 0.355 -0.656 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.546 -0.676 0.773 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.127 0.559 3.641 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.916 -0.515 4.245 1.00 0.00 C ATOM 1282 C PHE A 79 -2.802 0.032 5.365 1.00 0.00 C ATOM 1283 O PHE A 79 -3.928 -0.431 5.568 1.00 0.00 O ATOM 1284 CB PHE A 79 -1.015 -1.624 4.794 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.155 -2.282 3.757 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.722 -2.884 2.646 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.220 -2.300 3.898 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.071 -3.489 1.691 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.017 -2.904 2.950 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.446 -3.499 1.845 1.00 0.00 C ATOM 0 H PHE A 79 -0.117 0.441 3.714 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.548 -0.938 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.374 -1.206 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.638 -2.382 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.795 -2.880 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.675 -1.836 4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.381 -3.953 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.090 -2.911 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.071 -3.972 1.101 1.00 0.00 H new ATOM 1300 N SER A 80 -2.288 1.027 6.082 1.00 0.00 N ATOM 1301 CA SER A 80 -3.016 1.651 7.175 1.00 0.00 C ATOM 1302 C SER A 80 -4.299 2.311 6.675 1.00 0.00 C ATOM 1303 O SER A 80 -5.373 2.104 7.251 1.00 0.00 O ATOM 1304 CB SER A 80 -2.129 2.685 7.879 1.00 0.00 C ATOM 1305 OG SER A 80 -2.780 3.244 9.007 1.00 0.00 O ATOM 0 H SER A 80 -1.360 1.419 5.921 1.00 0.00 H new ATOM 0 HA SER A 80 -3.290 0.873 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.197 2.214 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.866 3.478 7.179 1.00 0.00 H new ATOM 0 HG SER A 80 -2.189 3.898 9.435 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.201 3.096 5.602 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.372 3.805 5.102 1.00 0.00 C ATOM 1313 C ASN A 81 -6.401 2.823 4.528 1.00 0.00 C ATOM 1314 O ASN A 81 -7.600 3.097 4.535 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.011 4.902 4.078 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.609 4.386 2.708 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.452 4.009 1.898 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.321 4.431 2.413 1.00 0.00 N ATOM 0 H ASN A 81 -3.342 3.253 5.074 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.822 4.315 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.866 5.568 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.193 5.500 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.000 4.147 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.649 4.750 3.111 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.937 1.663 4.068 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.839 0.628 3.558 1.00 0.00 C ATOM 1327 C CYS A 82 -7.754 0.103 4.665 1.00 0.00 C ATOM 1328 O CYS A 82 -8.967 -0.014 4.465 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.051 -0.536 2.945 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.917 -0.055 1.621 1.00 0.00 S ATOM 0 H CYS A 82 -4.948 1.415 4.037 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.453 1.085 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.482 -1.029 3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.756 -1.270 2.554 1.00 0.00 H new ATOM 0 HG CYS A 82 -4.211 0.967 2.005 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.179 -0.208 5.832 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.976 -0.683 6.966 1.00 0.00 C ATOM 1338 C TYR A 83 -8.874 0.432 7.491 1.00 0.00 C ATOM 1339 O TYR A 83 -9.896 0.179 8.127 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.097 -1.173 8.122 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.252 -2.402 7.838 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.795 -3.527 7.225 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.913 -2.453 8.225 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -6.030 -4.661 7.006 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.149 -3.580 8.003 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.711 -4.680 7.397 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.950 -5.805 7.181 1.00 0.00 O ATOM 0 H TYR A 83 -6.178 -0.140 6.014 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.575 -1.516 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.434 -0.360 8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.740 -1.387 8.976 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.829 -3.516 6.915 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.467 -1.596 8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.467 -5.526 6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.112 -3.599 8.304 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.041 -5.654 7.514 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.467 1.665 7.234 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.217 2.834 7.667 1.00 0.00 C ATOM 1359 C LYS A 84 -10.533 2.938 6.910 1.00 0.00 C ATOM 1360 O LYS A 84 -11.595 3.140 7.504 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.383 4.088 7.420 1.00 0.00 C ATOM 1362 CG LYS A 84 -8.971 5.360 7.983 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.069 6.541 7.670 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.732 7.857 8.015 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.045 7.966 9.463 1.00 0.00 N ATOM 0 H LYS A 84 -7.612 1.883 6.722 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.436 2.738 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.393 3.940 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.247 4.211 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.962 5.529 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.096 5.265 9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.137 6.445 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.809 6.530 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.078 8.679 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.651 7.961 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.404 8.920 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.768 7.262 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.183 7.792 10.019 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.453 2.784 5.595 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.612 2.950 4.739 1.00 0.00 C ATOM 1381 C TYR A 85 -12.531 1.738 4.809 1.00 0.00 C ATOM 1382 O TYR A 85 -13.721 1.856 5.099 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.176 3.153 3.289 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.330 3.518 2.383 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.829 4.809 2.411 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.929 2.600 1.517 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -13.880 5.185 1.611 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.989 2.976 0.711 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.456 4.274 0.766 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.496 4.672 -0.037 1.00 0.00 O ATOM 0 H TYR A 85 -9.594 2.544 5.100 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.154 3.827 5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.422 3.939 3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.706 2.240 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.383 5.535 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.561 1.586 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.252 6.198 1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.447 2.260 0.045 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.332 4.283 0.294 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.961 0.575 4.543 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.745 -0.638 4.371 1.00 0.00 C ATOM 1402 C ASN A 86 -12.963 -1.340 5.701 1.00 0.00 C ATOM 1403 O ASN A 86 -12.025 -1.513 6.483 1.00 0.00 O ATOM 1404 CB ASN A 86 -12.041 -1.586 3.393 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.829 -0.965 2.030 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.666 -1.094 1.134 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.698 -0.298 1.860 1.00 0.00 N ATOM 0 H ASN A 86 -10.955 0.444 4.441 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.718 -0.358 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.077 -1.880 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.632 -2.496 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.491 0.134 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.033 -0.216 2.630 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.214 -1.730 5.982 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.544 -2.516 7.170 1.00 0.00 C ATOM 1416 C PRO A 87 -13.875 -3.889 7.129 1.00 0.00 C ATOM 1417 O PRO A 87 -13.557 -4.402 6.055 1.00 0.00 O ATOM 1418 CB PRO A 87 -16.072 -2.648 7.117 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.455 -2.348 5.710 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.404 -1.420 5.170 1.00 0.00 C ATOM 0 HA PRO A 87 -14.195 -2.046 8.089 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.388 -3.651 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.549 -1.954 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.506 -3.262 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.441 -1.885 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.222 -1.595 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.699 -0.376 5.275 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.664 -4.493 8.316 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.842 -5.705 8.498 1.00 0.00 C ATOM 1430 C PRO A 88 -13.225 -6.875 7.596 1.00 0.00 C ATOM 1431 O PRO A 88 -12.408 -7.758 7.339 1.00 0.00 O ATOM 1432 CB PRO A 88 -13.066 -6.081 9.969 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.251 -5.291 10.407 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.217 -4.034 9.597 1.00 0.00 C ATOM 0 HA PRO A 88 -11.805 -5.498 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.246 -7.151 10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.190 -5.842 10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.175 -5.843 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.204 -5.072 11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.210 -3.602 9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.590 -3.271 10.059 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.461 -6.897 7.130 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.902 -7.953 6.230 1.00 0.00 C ATOM 1444 C ASP A 89 -15.024 -7.409 4.814 1.00 0.00 C ATOM 1445 O ASP A 89 -16.127 -7.170 4.318 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.238 -8.556 6.685 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.214 -9.007 8.132 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.842 -8.337 8.978 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -15.560 -10.030 8.434 1.00 0.00 O ATOM 0 H ASP A 89 -15.174 -6.203 7.356 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.156 -8.748 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.029 -7.818 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.484 -9.406 6.048 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.881 -7.199 4.173 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.846 -6.666 2.819 1.00 0.00 C ATOM 1456 C HIS A 90 -12.548 -7.087 2.128 1.00 0.00 C ATOM 1457 O HIS A 90 -11.501 -7.106 2.767 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.931 -5.135 2.850 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.554 -4.533 1.618 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.831 -4.270 0.477 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.830 -4.139 1.342 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.622 -3.746 -0.436 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.836 -3.655 0.061 1.00 0.00 N ATOM 0 H HIS A 90 -12.962 -7.391 4.572 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.698 -7.061 2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.509 -4.831 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.928 -4.728 2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.677 -4.198 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.323 -3.442 -1.428 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.650 -3.284 -0.428 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.601 -7.405 0.840 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.440 -7.976 0.134 1.00 0.00 C ATOM 1474 C ASP A 91 -10.147 -7.187 0.356 1.00 0.00 C ATOM 1475 O ASP A 91 -9.092 -7.773 0.612 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.712 -8.077 -1.368 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.642 -9.220 -1.719 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.820 -8.957 -2.043 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.197 -10.387 -1.679 1.00 0.00 O ATOM 0 H ASP A 91 -13.429 -7.281 0.257 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.296 -8.969 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.146 -7.140 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.767 -8.208 -1.896 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.231 -5.862 0.286 1.00 0.00 N ATOM 1485 CA VAL A 92 -9.034 -5.017 0.321 1.00 0.00 C ATOM 1486 C VAL A 92 -8.327 -5.065 1.672 1.00 0.00 C ATOM 1487 O VAL A 92 -7.135 -4.790 1.749 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.322 -3.543 -0.052 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.399 -3.091 -1.168 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.769 -3.351 -0.457 1.00 0.00 C ATOM 0 H VAL A 92 -11.109 -5.349 0.205 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.375 -5.438 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.136 -2.931 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.614 -2.052 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.363 -3.179 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.557 -3.717 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.939 -2.305 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.991 -3.977 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.419 -3.632 0.371 1.00 0.00 H new ATOM 1500 N VAL A 93 -9.037 -5.431 2.734 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.401 -5.522 4.043 1.00 0.00 C ATOM 1502 C VAL A 93 -7.665 -6.850 4.167 1.00 0.00 C ATOM 1503 O VAL A 93 -6.625 -6.946 4.822 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.401 -5.366 5.218 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.239 -4.111 5.048 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.298 -6.581 5.362 1.00 0.00 C ATOM 0 H VAL A 93 -10.030 -5.664 2.717 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.700 -4.690 4.112 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.813 -5.277 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.934 -4.021 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.586 -3.238 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.799 -4.171 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.983 -6.431 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.869 -6.722 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.687 -7.464 5.549 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.209 -7.868 3.518 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.591 -9.184 3.497 1.00 0.00 C ATOM 1518 C ALA A 94 -6.342 -9.172 2.624 1.00 0.00 C ATOM 1519 O ALA A 94 -5.297 -9.695 3.015 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.584 -10.233 3.014 1.00 0.00 C ATOM 0 H ALA A 94 -9.083 -7.806 2.996 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.292 -9.444 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.104 -11.212 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.443 -10.257 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.917 -9.983 2.007 1.00 0.00 H new ATOM 1526 N MET A 95 -6.447 -8.546 1.453 1.00 0.00 N ATOM 1527 CA MET A 95 -5.301 -8.409 0.560 1.00 0.00 C ATOM 1528 C MET A 95 -4.222 -7.561 1.225 1.00 0.00 C ATOM 1529 O MET A 95 -3.028 -7.807 1.049 1.00 0.00 O ATOM 1530 CB MET A 95 -5.717 -7.795 -0.788 1.00 0.00 C ATOM 1531 CG MET A 95 -6.598 -8.706 -1.642 1.00 0.00 C ATOM 1532 SD MET A 95 -6.916 -8.041 -3.292 1.00 0.00 S ATOM 1533 CE MET A 95 -8.412 -7.092 -3.025 1.00 0.00 C ATOM 0 H MET A 95 -7.309 -8.128 1.103 1.00 0.00 H new ATOM 0 HA MET A 95 -4.899 -9.403 0.362 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.250 -6.863 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.820 -7.542 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.119 -9.681 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.548 -8.865 -1.132 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.242 -7.565 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.633 -7.053 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.273 -6.079 -3.404 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.652 -6.588 2.027 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.723 -5.720 2.743 1.00 0.00 C ATOM 1545 C ALA A 96 -2.991 -6.498 3.825 1.00 0.00 C ATOM 1546 O ALA A 96 -1.835 -6.220 4.125 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.452 -4.536 3.362 1.00 0.00 C ATOM 0 H ALA A 96 -5.637 -6.382 2.196 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.996 -5.343 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.738 -3.904 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.937 -3.957 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.204 -4.898 4.063 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.668 -7.482 4.405 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.095 -8.252 5.499 1.00 0.00 C ATOM 1555 C ARG A 97 -2.070 -9.256 4.981 1.00 0.00 C ATOM 1556 O ARG A 97 -1.002 -9.430 5.567 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.184 -8.986 6.278 1.00 0.00 C ATOM 1558 CG ARG A 97 -3.739 -9.377 7.674 1.00 0.00 C ATOM 1559 CD ARG A 97 -4.755 -10.255 8.388 1.00 0.00 C ATOM 1560 NE ARG A 97 -4.253 -10.695 9.690 1.00 0.00 N ATOM 1561 CZ ARG A 97 -5.006 -11.227 10.650 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -6.311 -11.391 10.469 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -4.448 -11.596 11.795 1.00 0.00 N ATOM 0 H ARG A 97 -4.611 -7.764 4.136 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.595 -7.551 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.067 -8.351 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.477 -9.881 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.787 -9.905 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.567 -8.476 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.686 -9.703 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.985 -11.124 7.772 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.256 -10.586 9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.743 -11.109 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.881 -11.799 11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.446 -11.472 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.021 -12.004 12.533 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.401 -9.911 3.880 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.514 -10.902 3.287 1.00 0.00 C ATOM 1579 C LYS A 98 -0.266 -10.230 2.703 1.00 0.00 C ATOM 1580 O LYS A 98 0.855 -10.732 2.846 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.272 -11.694 2.220 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.525 -12.914 1.707 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.328 -13.645 0.648 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.596 -14.877 0.158 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.423 -15.676 -0.785 1.00 0.00 N ATOM 0 H LYS A 98 -3.278 -9.775 3.377 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.180 -11.594 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.229 -12.014 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.490 -11.035 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.565 -12.608 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.313 -13.589 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.297 -13.933 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.522 -12.977 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.671 -14.578 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.317 -15.496 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.886 -16.510 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.294 -15.984 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.668 -15.094 -1.611 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.462 -9.090 2.052 1.00 0.00 N ATOM 1600 CA LEU A 99 0.656 -8.278 1.584 1.00 0.00 C ATOM 1601 C LEU A 99 1.434 -7.686 2.758 1.00 0.00 C ATOM 1602 O LEU A 99 2.632 -7.427 2.649 1.00 0.00 O ATOM 1603 CB LEU A 99 0.189 -7.151 0.662 1.00 0.00 C ATOM 1604 CG LEU A 99 0.210 -7.432 -0.849 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.766 -6.230 -1.571 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.051 -8.643 -1.201 1.00 0.00 C ATOM 0 H LEU A 99 -1.382 -8.707 1.836 1.00 0.00 H new ATOM 0 HA LEU A 99 1.311 -8.940 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.830 -6.884 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.812 -6.277 0.853 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.816 -7.636 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.783 -6.425 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.138 -5.362 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.780 -6.033 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.032 -8.798 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.078 -8.480 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.648 -9.524 -0.701 1.00 0.00 H new ATOM 1618 N GLN A 100 0.753 -7.462 3.874 1.00 0.00 N ATOM 1619 CA GLN A 100 1.421 -7.016 5.092 1.00 0.00 C ATOM 1620 C GLN A 100 2.425 -8.076 5.529 1.00 0.00 C ATOM 1621 O GLN A 100 3.518 -7.761 5.985 1.00 0.00 O ATOM 1622 CB GLN A 100 0.396 -6.773 6.207 1.00 0.00 C ATOM 1623 CG GLN A 100 0.974 -6.131 7.458 1.00 0.00 C ATOM 1624 CD GLN A 100 1.471 -4.721 7.215 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.635 -4.509 6.883 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.595 -3.746 7.390 1.00 0.00 N ATOM 0 H GLN A 100 -0.256 -7.581 3.962 1.00 0.00 H new ATOM 0 HA GLN A 100 1.941 -6.079 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.400 -6.136 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.061 -7.725 6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.213 -6.114 8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.796 -6.743 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.362 -3.964 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.877 -2.776 7.249 1.00 0.00 H new ATOM 1635 N ASP A 101 2.035 -9.337 5.360 1.00 0.00 N ATOM 1636 CA ASP A 101 2.893 -10.473 5.683 1.00 0.00 C ATOM 1637 C ASP A 101 4.198 -10.414 4.892 1.00 0.00 C ATOM 1638 O ASP A 101 5.278 -10.373 5.475 1.00 0.00 O ATOM 1639 CB ASP A 101 2.156 -11.787 5.392 1.00 0.00 C ATOM 1640 CG ASP A 101 3.025 -13.022 5.575 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.745 -13.392 4.623 1.00 0.00 O ATOM 1642 OD2 ASP A 101 2.958 -13.650 6.658 1.00 0.00 O ATOM 0 H ASP A 101 1.119 -9.599 4.997 1.00 0.00 H new ATOM 0 HA ASP A 101 3.137 -10.428 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.289 -11.862 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.780 -11.765 4.369 1.00 0.00 H new ATOM 1647 N VAL A 102 4.099 -10.386 3.566 1.00 0.00 N ATOM 1648 CA VAL A 102 5.297 -10.354 2.724 1.00 0.00 C ATOM 1649 C VAL A 102 6.156 -9.129 3.028 1.00 0.00 C ATOM 1650 O VAL A 102 7.350 -9.257 3.295 1.00 0.00 O ATOM 1651 CB VAL A 102 4.960 -10.410 1.212 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.818 -9.494 0.867 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.167 -10.068 0.351 1.00 0.00 C ATOM 0 H VAL A 102 3.217 -10.385 3.054 1.00 0.00 H new ATOM 0 HA VAL A 102 5.867 -11.251 2.967 1.00 0.00 H new ATOM 0 HB VAL A 102 4.663 -11.437 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.609 -9.559 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.932 -9.790 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.084 -8.468 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.889 -10.119 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.509 -9.061 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.969 -10.779 0.549 1.00 0.00 H new ATOM 1663 N PHE A 103 5.539 -7.956 3.016 1.00 0.00 N ATOM 1664 CA PHE A 103 6.252 -6.712 3.296 1.00 0.00 C ATOM 1665 C PHE A 103 6.926 -6.743 4.676 1.00 0.00 C ATOM 1666 O PHE A 103 8.076 -6.316 4.815 1.00 0.00 O ATOM 1667 CB PHE A 103 5.308 -5.502 3.159 1.00 0.00 C ATOM 1668 CG PHE A 103 5.747 -4.287 3.946 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.959 -3.671 3.668 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.958 -3.764 4.972 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.378 -2.572 4.391 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.377 -2.662 5.692 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.588 -2.068 5.403 1.00 0.00 C ATOM 0 H PHE A 103 4.546 -7.837 2.816 1.00 0.00 H new ATOM 0 HA PHE A 103 7.045 -6.608 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.231 -5.232 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.310 -5.794 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.583 -4.057 2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.010 -4.226 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.326 -2.106 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.756 -2.265 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.917 -1.209 5.969 1.00 0.00 H new ATOM 1683 N GLU A 104 6.240 -7.280 5.684 1.00 0.00 N ATOM 1684 CA GLU A 104 6.782 -7.275 7.043 1.00 0.00 C ATOM 1685 C GLU A 104 8.018 -8.167 7.139 1.00 0.00 C ATOM 1686 O GLU A 104 8.992 -7.811 7.799 1.00 0.00 O ATOM 1687 CB GLU A 104 5.730 -7.680 8.100 1.00 0.00 C ATOM 1688 CG GLU A 104 5.532 -9.184 8.292 1.00 0.00 C ATOM 1689 CD GLU A 104 4.604 -9.504 9.445 1.00 0.00 C ATOM 1690 OE1 GLU A 104 3.367 -9.492 9.253 1.00 0.00 O ATOM 1691 OE2 GLU A 104 5.107 -9.768 10.561 1.00 0.00 O ATOM 0 H GLU A 104 5.323 -7.717 5.590 1.00 0.00 H new ATOM 0 HA GLU A 104 7.074 -6.248 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.016 -7.244 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.773 -7.238 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.129 -9.614 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.499 -9.655 8.467 1.00 0.00 H new ATOM 1698 N PHE A 105 7.992 -9.307 6.458 1.00 0.00 N ATOM 1699 CA PHE A 105 9.125 -10.225 6.479 1.00 0.00 C ATOM 1700 C PHE A 105 10.284 -9.687 5.650 1.00 0.00 C ATOM 1701 O PHE A 105 11.445 -9.994 5.924 1.00 0.00 O ATOM 1702 CB PHE A 105 8.718 -11.611 5.982 1.00 0.00 C ATOM 1703 CG PHE A 105 7.983 -12.419 7.009 1.00 0.00 C ATOM 1704 CD1 PHE A 105 6.603 -12.408 7.059 1.00 0.00 C ATOM 1705 CD2 PHE A 105 8.675 -13.187 7.928 1.00 0.00 C ATOM 1706 CE1 PHE A 105 5.924 -13.144 8.004 1.00 0.00 C ATOM 1707 CE2 PHE A 105 8.001 -13.928 8.878 1.00 0.00 C ATOM 1708 CZ PHE A 105 6.623 -13.906 8.916 1.00 0.00 C ATOM 0 H PHE A 105 7.205 -9.616 5.888 1.00 0.00 H new ATOM 0 HA PHE A 105 9.456 -10.313 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.089 -11.502 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.611 -12.155 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.049 -11.814 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.755 -13.207 7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.845 -13.124 8.031 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.552 -14.524 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.093 -14.484 9.658 1.00 0.00 H new ATOM 1718 N ARG A 106 9.967 -8.889 4.643 1.00 0.00 N ATOM 1719 CA ARG A 106 10.986 -8.249 3.828 1.00 0.00 C ATOM 1720 C ARG A 106 11.736 -7.209 4.652 1.00 0.00 C ATOM 1721 O ARG A 106 12.969 -7.192 4.685 1.00 0.00 O ATOM 1722 CB ARG A 106 10.343 -7.600 2.601 1.00 0.00 C ATOM 1723 CG ARG A 106 9.741 -8.595 1.622 1.00 0.00 C ATOM 1724 CD ARG A 106 10.805 -9.467 0.977 1.00 0.00 C ATOM 1725 NE ARG A 106 10.229 -10.640 0.322 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.723 -11.200 -0.777 1.00 0.00 C ATOM 1727 NH1 ARG A 106 11.753 -10.649 -1.404 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.178 -12.309 -1.255 1.00 0.00 N ATOM 0 H ARG A 106 9.009 -8.669 4.370 1.00 0.00 H new ATOM 0 HA ARG A 106 11.698 -9.002 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.563 -6.914 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.094 -7.004 2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.020 -9.226 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.194 -8.057 0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.361 -8.880 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.518 -9.789 1.736 1.00 0.00 H new ATOM 0 HE ARG A 106 9.394 -11.055 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.170 -9.791 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.128 -11.083 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.381 -12.731 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.556 -12.740 -2.099 1.00 0.00 H new ATOM 1742 N TYR A 107 10.981 -6.362 5.340 1.00 0.00 N ATOM 1743 CA TYR A 107 11.569 -5.329 6.192 1.00 0.00 C ATOM 1744 C TYR A 107 12.287 -5.963 7.383 1.00 0.00 C ATOM 1745 O TYR A 107 13.283 -5.431 7.876 1.00 0.00 O ATOM 1746 CB TYR A 107 10.491 -4.345 6.677 1.00 0.00 C ATOM 1747 CG TYR A 107 11.046 -3.122 7.383 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.334 -1.956 6.682 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.284 -3.137 8.753 1.00 0.00 C ATOM 1750 CE1 TYR A 107 11.844 -0.844 7.326 1.00 0.00 C ATOM 1751 CE2 TYR A 107 11.791 -2.028 9.402 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.069 -0.886 8.684 1.00 0.00 C ATOM 1753 OH TYR A 107 12.577 0.217 9.329 1.00 0.00 O ATOM 0 H TYR A 107 9.961 -6.368 5.327 1.00 0.00 H new ATOM 0 HA TYR A 107 12.299 -4.774 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.898 -4.021 5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.815 -4.867 7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.156 -1.919 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.069 -4.031 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.065 0.053 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.968 -2.056 10.467 1.00 0.00 H new ATOM 0 HH TYR A 107 12.675 0.021 10.284 1.00 0.00 H new ATOM 1763 N ALA A 108 11.784 -7.108 7.830 1.00 0.00 N ATOM 1764 CA ALA A 108 12.370 -7.815 8.961 1.00 0.00 C ATOM 1765 C ALA A 108 13.750 -8.367 8.623 1.00 0.00 C ATOM 1766 O ALA A 108 14.658 -8.333 9.449 1.00 0.00 O ATOM 1767 CB ALA A 108 11.454 -8.938 9.419 1.00 0.00 C ATOM 0 H ALA A 108 10.969 -7.567 7.424 1.00 0.00 H new ATOM 0 HA ALA A 108 12.486 -7.097 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.907 -9.455 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.492 -8.523 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.304 -9.642 8.601 1.00 0.00 H new ATOM 1773 N LYS A 109 13.907 -8.876 7.408 1.00 0.00 N ATOM 1774 CA LYS A 109 15.186 -9.431 6.984 1.00 0.00 C ATOM 1775 C LYS A 109 16.135 -8.331 6.526 1.00 0.00 C ATOM 1776 O LYS A 109 17.337 -8.556 6.373 1.00 0.00 O ATOM 1777 CB LYS A 109 14.991 -10.474 5.882 1.00 0.00 C ATOM 1778 CG LYS A 109 14.419 -11.783 6.394 1.00 0.00 C ATOM 1779 CD LYS A 109 14.348 -12.837 5.302 1.00 0.00 C ATOM 1780 CE LYS A 109 13.193 -12.590 4.345 1.00 0.00 C ATOM 1781 NZ LYS A 109 11.877 -12.669 5.033 1.00 0.00 N ATOM 0 H LYS A 109 13.171 -8.916 6.703 1.00 0.00 H new ATOM 0 HA LYS A 109 15.636 -9.927 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.326 -10.068 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.949 -10.667 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.034 -12.152 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.421 -11.610 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.285 -12.845 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.238 -13.822 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.305 -11.607 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.226 -13.323 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.139 -12.919 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.917 -13.396 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.653 -11.748 5.461 1.00 0.00 H new ATOM 1795 N MET A 110 15.591 -7.144 6.309 1.00 0.00 N ATOM 1796 CA MET A 110 16.402 -5.980 5.975 1.00 0.00 C ATOM 1797 C MET A 110 17.219 -5.533 7.189 1.00 0.00 C ATOM 1798 O MET A 110 16.656 -5.228 8.242 1.00 0.00 O ATOM 1799 CB MET A 110 15.503 -4.841 5.476 1.00 0.00 C ATOM 1800 CG MET A 110 16.234 -3.528 5.221 1.00 0.00 C ATOM 1801 SD MET A 110 16.409 -2.515 6.694 1.00 0.00 S ATOM 1802 CE MET A 110 15.206 -1.263 6.313 1.00 0.00 C ATOM 0 H MET A 110 14.589 -6.959 6.358 1.00 0.00 H new ATOM 0 HA MET A 110 17.096 -6.249 5.179 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.016 -5.157 4.554 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.716 -4.668 6.210 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.223 -3.743 4.817 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.695 -2.962 4.461 1.00 0.00 H new ATOM 0 HE1 MET A 110 15.015 -0.660 7.201 1.00 0.00 H new ATOM 0 HE2 MET A 110 15.586 -0.625 5.515 1.00 0.00 H new ATOM 0 HE3 MET A 110 14.279 -1.736 5.989 1.00 0.00 H new ATOM 1812 N PRO A 111 18.557 -5.519 7.072 1.00 0.00 N ATOM 1813 CA PRO A 111 19.438 -5.068 8.142 1.00 0.00 C ATOM 1814 C PRO A 111 19.723 -3.570 8.081 1.00 0.00 C ATOM 1815 O PRO A 111 19.559 -2.930 7.038 1.00 0.00 O ATOM 1816 CB PRO A 111 20.709 -5.866 7.880 1.00 0.00 C ATOM 1817 CG PRO A 111 20.755 -6.024 6.396 1.00 0.00 C ATOM 1818 CD PRO A 111 19.328 -5.969 5.897 1.00 0.00 C ATOM 0 HA PRO A 111 19.003 -5.223 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.590 -5.342 8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.680 -6.834 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.352 -5.233 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.222 -6.971 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.223 -5.277 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.990 -6.944 5.547 1.00 0.00 H new ATOM 1826 N ASP A 112 20.160 -3.020 9.201 1.00 0.00 N ATOM 1827 CA ASP A 112 20.464 -1.600 9.291 1.00 0.00 C ATOM 1828 C ASP A 112 21.955 -1.372 9.118 1.00 0.00 C ATOM 1829 O ASP A 112 22.355 -0.745 8.112 1.00 0.00 O ATOM 1830 CB ASP A 112 19.990 -1.031 10.632 1.00 0.00 C ATOM 1831 CG ASP A 112 20.344 0.432 10.806 1.00 0.00 C ATOM 1832 OD1 ASP A 112 19.610 1.296 10.282 1.00 0.00 O ATOM 1833 OD2 ASP A 112 21.354 0.729 11.482 1.00 0.00 O ATOM 1834 OXT ASP A 112 22.732 -1.849 9.968 1.00 0.00 O ATOM 0 H ASP A 112 20.313 -3.538 10.066 1.00 0.00 H new ATOM 0 HA ASP A 112 19.934 -1.081 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 112 18.909 -1.151 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.435 -1.607 11.444 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -18.908 8.711 11.560 1.00 0.00 N ATOM 1841 CA HIS B 281 -19.572 8.162 10.352 1.00 0.00 C ATOM 1842 C HIS B 281 -19.545 6.644 10.382 1.00 0.00 C ATOM 1843 O HIS B 281 -18.478 6.030 10.360 1.00 0.00 O ATOM 1844 CB HIS B 281 -18.892 8.668 9.076 1.00 0.00 C ATOM 1845 CG HIS B 281 -19.031 10.144 8.868 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -18.037 11.046 9.174 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -20.062 10.874 8.383 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -18.451 12.266 8.888 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -19.677 12.191 8.407 1.00 0.00 N ATOM 0 HA HIS B 281 -20.607 8.503 10.351 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -17.833 8.413 9.113 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -19.316 8.147 8.217 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -21.012 10.491 8.040 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -17.882 13.173 9.025 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -20.245 12.982 8.103 1.00 0.00 H new ATOM 1860 N ASN B 282 -20.724 6.044 10.432 1.00 0.00 N ATOM 1861 CA ASN B 282 -20.842 4.600 10.543 1.00 0.00 C ATOM 1862 C ASN B 282 -21.103 3.970 9.179 1.00 0.00 C ATOM 1863 O ASN B 282 -20.603 2.889 8.879 1.00 0.00 O ATOM 1864 CB ASN B 282 -21.971 4.238 11.512 1.00 0.00 C ATOM 1865 CG ASN B 282 -22.078 2.745 11.757 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -21.082 2.024 11.736 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -23.289 2.272 11.989 1.00 0.00 N ATOM 0 H ASN B 282 -21.616 6.538 10.397 1.00 0.00 H new ATOM 0 HA ASN B 282 -19.900 4.208 10.928 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -21.806 4.747 12.462 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -22.917 4.605 11.114 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -23.423 1.275 12.159 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -24.090 2.903 11.998 1.00 0.00 H new ATOM 1874 N LEU B 283 -21.878 4.656 8.351 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.229 4.139 7.034 1.00 0.00 C ATOM 1876 C LEU B 283 -21.378 4.790 5.950 1.00 0.00 C ATOM 1877 O LEU B 283 -21.757 5.809 5.368 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.721 4.356 6.730 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.707 3.406 7.432 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.340 1.954 7.171 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -24.772 3.681 8.927 1.00 0.00 C ATOM 0 H LEU B 283 -22.276 5.570 8.566 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.030 3.067 7.040 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -23.980 5.379 7.002 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.867 4.266 5.654 1.00 0.00 H new ATOM 0 HG LEU B 283 -25.696 3.591 7.014 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -25.052 1.302 7.678 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -24.368 1.759 6.099 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -23.336 1.759 7.549 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -25.477 2.993 9.393 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -23.784 3.541 9.366 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.101 4.707 9.094 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.217 4.206 5.697 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.343 4.677 4.635 1.00 0.00 C ATOM 1895 C LEU B 284 -19.643 3.929 3.346 1.00 0.00 C ATOM 1896 O LEU B 284 -20.146 2.805 3.373 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.871 4.492 5.020 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.357 5.420 6.125 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -15.910 5.096 6.462 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -17.492 6.878 5.707 1.00 0.00 C ATOM 0 H LEU B 284 -19.858 3.403 6.214 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.527 5.741 4.483 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -17.724 3.460 5.339 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.259 4.641 4.130 1.00 0.00 H new ATOM 0 HG LEU B 284 -17.964 5.260 7.016 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -15.561 5.765 7.249 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -15.839 4.064 6.805 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -15.292 5.227 5.574 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.122 7.521 6.505 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.911 7.052 4.801 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -18.540 7.106 5.515 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.334 4.556 2.225 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.598 3.970 0.919 1.00 0.00 C ATOM 1914 C ARG B 285 -18.563 2.893 0.629 1.00 0.00 C ATOM 1915 O ARG B 285 -17.523 3.178 0.053 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.551 5.033 -0.195 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.528 6.194 -0.033 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.078 7.164 1.046 1.00 0.00 C ATOM 1919 NE ARG B 285 -20.872 8.388 1.073 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.972 8.559 1.806 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -22.462 7.562 2.531 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.590 9.731 1.801 1.00 0.00 N ATOM 0 H ARG B 285 -18.897 5.477 2.191 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.599 3.538 0.938 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.540 5.436 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.749 4.544 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.623 6.724 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.516 5.806 0.216 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.141 6.674 2.018 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.031 7.419 0.885 1.00 0.00 H new ATOM 0 HE ARG B 285 -20.564 9.167 0.491 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -21.996 6.654 2.531 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -23.304 7.703 3.089 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.224 10.498 1.238 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.432 9.866 2.361 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.840 1.670 1.056 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.902 0.564 0.885 1.00 0.00 C ATOM 1938 C ILE B 286 -17.412 0.455 -0.560 1.00 0.00 C ATOM 1939 O ILE B 286 -18.197 0.493 -1.509 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.495 -0.800 1.340 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.754 -1.185 0.541 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.794 -0.771 2.832 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.998 -0.387 0.887 1.00 0.00 C ATOM 0 H ILE B 286 -19.709 1.415 1.525 1.00 0.00 H new ATOM 0 HA ILE B 286 -17.054 0.794 1.530 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.745 -1.565 1.140 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.544 -1.061 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.961 -2.243 0.704 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.209 -1.731 3.139 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.874 -0.580 3.384 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.514 0.019 3.043 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -21.832 -0.729 0.274 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -21.240 -0.529 1.940 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.817 0.671 0.696 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.529 1.813 0.330 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.992 1.125 -0.534 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.483 0.870 -0.458 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.684 0.595 -1.533 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.119 0.776 -1.706 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.663 -0.075 -2.840 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.140 0.178 -3.082 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.949 0.055 -1.804 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.444 0.244 -2.005 1.00 0.00 C HETATM 1964 N ALY B 287 -16.093 0.359 -0.702 1.00 0.00 N HETATM 1965 C ALY B 287 -16.011 -0.938 -2.784 1.00 0.00 C HETATM 1966 O ALY B 287 -16.168 -2.028 -2.235 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.951 1.820 -0.500 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.246 0.363 0.477 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.177 0.245 -1.297 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.184 0.029 -2.219 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.515 -0.532 -3.819 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.274 1.175 -3.503 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.331 1.826 -1.906 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.632 0.518 -0.780 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.509 -1.129 -2.609 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.105 0.136 -3.752 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.629 1.154 -2.575 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.592 0.793 -1.086 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.772 -0.927 -1.366 1.00 0.00 H new HETATM 0 H ALY B 287 -15.537 0.307 0.151 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.313 -0.732 -4.056 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.890 -1.791 -4.872 1.00 0.00 C ATOM 1983 C GLN B 288 -15.799 -2.710 -5.423 1.00 0.00 C ATOM 1984 O GLN B 288 -15.531 -2.741 -6.625 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.721 -1.204 -6.016 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.541 -2.246 -6.762 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.310 -1.660 -7.926 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.716 -0.497 -7.900 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -19.509 -2.459 -8.958 1.00 0.00 N ATOM 0 H GLN B 288 -16.170 0.152 -4.544 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.548 -2.383 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -18.391 -0.443 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.055 -0.704 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -17.878 -3.030 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.240 -2.716 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -19.156 -3.416 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -20.016 -2.120 -9.775 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.161 -3.444 -4.525 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.186 -4.458 -4.909 1.00 0.00 C ATOM 2000 C PHE B 289 -14.819 -5.839 -4.808 1.00 0.00 C ATOM 2001 O PHE B 289 -14.132 -6.846 -4.632 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.927 -4.377 -4.035 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.867 -3.442 -4.564 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.183 -2.451 -5.481 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.548 -3.564 -4.149 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.206 -1.602 -5.971 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.572 -2.715 -4.635 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.901 -1.736 -5.548 1.00 0.00 C ATOM 0 H PHE B 289 -15.301 -3.357 -3.518 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.883 -4.276 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.213 -4.055 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.500 -5.375 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.203 -2.340 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.281 -4.332 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.466 -0.834 -6.685 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.551 -2.819 -4.299 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.138 -1.075 -5.931 1.00 0.00 H new ATOM 2018 N LEU B 290 -16.141 -5.865 -4.916 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.900 -7.104 -4.863 1.00 0.00 C ATOM 2020 C LEU B 290 -16.659 -7.916 -6.123 1.00 0.00 C ATOM 2021 O LEU B 290 -16.748 -7.386 -7.234 1.00 0.00 O ATOM 2022 CB LEU B 290 -18.401 -6.822 -4.711 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.880 -6.405 -3.313 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -18.548 -7.479 -2.290 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -18.285 -5.066 -2.898 1.00 0.00 C ATOM 0 H LEU B 290 -16.714 -5.031 -5.042 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.564 -7.671 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.674 -6.035 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.948 -7.717 -5.007 1.00 0.00 H new ATOM 0 HG LEU B 290 -19.963 -6.289 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -18.896 -7.164 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -19.041 -8.411 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -17.469 -7.633 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.645 -4.801 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -17.198 -5.140 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -18.586 -4.298 -3.610 1.00 0.00 H new ATOM 2037 N GLN B 291 -16.344 -9.193 -5.939 1.00 0.00 N ATOM 2038 CA GLN B 291 -16.089 -10.107 -7.048 1.00 0.00 C ATOM 2039 C GLN B 291 -14.977 -9.571 -7.941 1.00 0.00 C ATOM 2040 O GLN B 291 -15.161 -9.362 -9.143 1.00 0.00 O ATOM 2041 CB GLN B 291 -17.369 -10.347 -7.853 1.00 0.00 C ATOM 2042 CG GLN B 291 -18.463 -11.029 -7.049 1.00 0.00 C ATOM 2043 CD GLN B 291 -19.738 -11.216 -7.844 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -19.920 -12.228 -8.517 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -20.628 -10.243 -7.770 1.00 0.00 N ATOM 0 H GLN B 291 -16.258 -9.624 -5.019 1.00 0.00 H new ATOM 0 HA GLN B 291 -15.762 -11.063 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -17.741 -9.392 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -17.133 -10.958 -8.725 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -18.106 -12.001 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -18.677 -10.437 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -20.437 -9.419 -7.199 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -21.506 -10.315 -8.284 1.00 0.00 H new ATOM 2054 N SER B 292 -13.826 -9.336 -7.336 1.00 0.00 N ATOM 2055 CA SER B 292 -12.676 -8.822 -8.051 1.00 0.00 C ATOM 2056 C SER B 292 -11.725 -9.957 -8.426 1.00 0.00 C ATOM 2057 O SER B 292 -11.863 -10.505 -9.541 1.00 0.00 O ATOM 2058 CB SER B 292 -11.976 -7.761 -7.196 1.00 0.00 C ATOM 2059 OG SER B 292 -12.017 -8.101 -5.816 1.00 0.00 O ATOM 2060 OXT SER B 292 -10.863 -10.324 -7.602 1.00 0.00 O ATOM 0 H SER B 292 -13.665 -9.496 -6.342 1.00 0.00 H new ATOM 0 HA SER B 292 -13.005 -8.355 -8.979 1.00 0.00 H new ATOM 0 HB2 SER B 292 -10.939 -7.658 -7.517 1.00 0.00 H new ATOM 0 HB3 SER B 292 -12.455 -6.794 -7.349 1.00 0.00 H new ATOM 0 HG SER B 292 -12.843 -7.755 -5.418 1.00 0.00 H new TER 2066 SER B 292