USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= -4.03! C(o=-3.2!,f=-10!) USER MOD Set 1.2: A 113 THR OG1 : rot -31:sc= 0.848 USER MOD Single : A 2 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.719 USER MOD Single : A 8 GLN : amide:sc= -9.84! C(o=-9.8!,f=-3.1!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.573 (180deg=-0.848) USER MOD Single : A 15 SER OG : rot 180:sc= -0.642 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 164:sc= 0 (180deg=-0.00329) USER MOD Single : A 36 SER OG : rot 39:sc= -0.051 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 139:sc= 1.27 USER MOD Single : A 45 GLN : amide:sc= -1.94! C(o=-1.9!,f=-1.9!) USER MOD Single : A 47 SER OG : rot 130:sc= -2.51! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -70:sc= 0.0254 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.684 K(o=-0.68,f=0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 77:sc= 1.3 USER MOD Single : A 63 SER OG : rot 180:sc= -0.763 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 46:sc= -4.48! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0792 (180deg=-0.29) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 0.766 (180deg=-1.45!) USER MOD Single : A 86 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.7!) USER MOD Single : A 87 GLN : amide:sc= -4.1! K(o=-4.1!,f=-0.99) USER MOD Single : A 89 GLN : amide:sc= -3.47! C(o=-3.5!,f=-8!) USER MOD Single : A 91 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.76) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 108:sc= 0.651 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -154:sc= -10.4! (180deg=-10.5!) USER MOD Single : A 103 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 165:sc= -2.17! USER MOD Single : A 111 SER OG : rot 10:sc= 1.17 USER MOD Single : A 114 ASN : amide:sc= -5.05! K(o=-5.1!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -0.536 6.119 8.098 1.00 0.00 N ATOM 19 CA ASN A 2 -1.371 6.842 7.141 1.00 0.00 C ATOM 20 C ASN A 2 -2.579 7.421 7.847 1.00 0.00 C ATOM 21 O ASN A 2 -3.663 6.890 7.773 1.00 0.00 O ATOM 22 CB ASN A 2 -1.806 5.914 5.999 1.00 0.00 C ATOM 23 CG ASN A 2 -0.638 5.419 5.163 1.00 0.00 C ATOM 24 OD1 ASN A 2 0.365 6.114 5.000 1.00 0.00 O ATOM 25 ND2 ASN A 2 -0.751 4.217 4.638 1.00 0.00 N ATOM 0 HA ASN A 2 -0.790 7.659 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.337 5.058 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.509 6.443 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.008 3.833 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.597 3.670 4.794 1.00 0.00 H new ATOM 32 N THR A 3 -2.357 8.502 8.536 1.00 0.00 N ATOM 33 CA THR A 3 -3.339 9.080 9.426 1.00 0.00 C ATOM 34 C THR A 3 -3.989 10.363 8.826 1.00 0.00 C ATOM 35 O THR A 3 -4.259 10.464 7.589 1.00 0.00 O ATOM 36 CB THR A 3 -2.598 9.361 10.788 1.00 0.00 C ATOM 37 OG1 THR A 3 -3.469 9.899 11.793 1.00 0.00 O ATOM 38 CG2 THR A 3 -1.384 10.276 10.611 1.00 0.00 C ATOM 0 H THR A 3 -1.479 9.019 8.500 1.00 0.00 H new ATOM 0 HA THR A 3 -4.173 8.395 9.581 1.00 0.00 H new ATOM 0 HB THR A 3 -2.250 8.387 11.131 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.962 10.053 12.617 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.908 10.440 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.672 9.809 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.706 11.232 10.199 1.00 0.00 H new ATOM 46 N ASP A 4 -4.276 11.297 9.715 1.00 0.00 N ATOM 47 CA ASP A 4 -4.795 12.598 9.391 1.00 0.00 C ATOM 48 C ASP A 4 -3.686 13.270 8.611 1.00 0.00 C ATOM 49 O ASP A 4 -2.705 13.724 9.189 1.00 0.00 O ATOM 50 CB ASP A 4 -5.111 13.389 10.670 1.00 0.00 C ATOM 51 CG ASP A 4 -5.819 14.704 10.407 1.00 0.00 C ATOM 52 OD1 ASP A 4 -5.171 15.683 10.014 1.00 0.00 O ATOM 53 OD2 ASP A 4 -7.043 14.789 10.622 1.00 0.00 O ATOM 0 H ASP A 4 -4.146 11.157 10.717 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.724 12.542 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.731 12.776 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.182 13.586 11.205 1.00 0.00 H new ATOM 58 N VAL A 5 -3.794 13.222 7.295 1.00 0.00 N ATOM 59 CA VAL A 5 -2.768 13.645 6.356 1.00 0.00 C ATOM 60 C VAL A 5 -3.208 13.198 4.971 1.00 0.00 C ATOM 61 O VAL A 5 -3.228 13.973 4.033 1.00 0.00 O ATOM 62 CB VAL A 5 -1.319 13.096 6.657 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.222 11.567 6.629 1.00 0.00 C ATOM 64 CG2 VAL A 5 -0.317 13.695 5.683 1.00 0.00 C ATOM 0 H VAL A 5 -4.633 12.873 6.832 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.678 14.728 6.442 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.084 13.403 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.198 11.263 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.891 11.146 7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.509 11.202 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.678 13.308 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.595 13.427 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.315 14.780 5.785 1.00 0.00 H new ATOM 74 N LEU A 6 -3.646 11.948 4.871 1.00 0.00 N ATOM 75 CA LEU A 6 -4.004 11.402 3.578 1.00 0.00 C ATOM 76 C LEU A 6 -5.146 10.430 3.640 1.00 0.00 C ATOM 77 O LEU A 6 -5.944 10.428 2.758 1.00 0.00 O ATOM 78 CB LEU A 6 -2.774 10.783 2.864 1.00 0.00 C ATOM 79 CG LEU A 6 -2.075 9.575 3.537 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.818 8.257 3.326 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.630 9.459 3.110 1.00 0.00 C ATOM 0 H LEU A 6 -3.759 11.308 5.657 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.355 12.244 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.087 10.475 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.031 11.570 2.736 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.098 9.775 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.277 7.451 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.821 8.333 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.887 8.045 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.173 8.601 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.579 9.327 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.094 10.366 3.390 1.00 0.00 H new ATOM 93 N ASN A 7 -5.219 9.592 4.657 1.00 0.00 N ATOM 94 CA ASN A 7 -6.256 8.569 4.661 1.00 0.00 C ATOM 95 C ASN A 7 -7.625 9.202 4.832 1.00 0.00 C ATOM 96 O ASN A 7 -8.392 9.261 3.938 1.00 0.00 O ATOM 97 CB ASN A 7 -5.947 7.435 5.651 1.00 0.00 C ATOM 98 CG ASN A 7 -6.379 6.050 5.138 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.448 5.537 5.453 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.553 5.435 4.315 1.00 0.00 N ATOM 0 H ASN A 7 -4.598 9.593 5.466 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.270 8.077 3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.877 7.422 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.450 7.639 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.800 4.522 3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.667 5.872 4.061 1.00 0.00 H new ATOM 107 N GLN A 8 -7.785 9.969 5.817 1.00 0.00 N ATOM 108 CA GLN A 8 -9.082 10.581 6.052 1.00 0.00 C ATOM 109 C GLN A 8 -9.406 11.662 4.999 1.00 0.00 C ATOM 110 O GLN A 8 -10.528 11.795 4.561 1.00 0.00 O ATOM 111 CB GLN A 8 -9.244 11.020 7.514 1.00 0.00 C ATOM 112 CG GLN A 8 -7.991 11.581 8.152 1.00 0.00 C ATOM 113 CD GLN A 8 -7.500 12.827 7.461 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.903 13.924 7.765 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.560 12.672 6.557 1.00 0.00 N ATOM 0 H GLN A 8 -7.060 10.211 6.493 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.854 9.825 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.030 11.773 7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.581 10.165 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.190 11.805 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.206 10.825 8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.234 11.736 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.156 13.487 6.097 1.00 0.00 H new ATOM 124 N GLN A 9 -8.387 12.358 4.523 1.00 0.00 N ATOM 125 CA GLN A 9 -8.563 13.317 3.465 1.00 0.00 C ATOM 126 C GLN A 9 -8.736 12.639 2.124 1.00 0.00 C ATOM 127 O GLN A 9 -9.827 12.532 1.618 1.00 0.00 O ATOM 128 CB GLN A 9 -7.392 14.303 3.383 1.00 0.00 C ATOM 129 CG GLN A 9 -7.362 15.363 4.469 1.00 0.00 C ATOM 130 CD GLN A 9 -6.175 16.297 4.310 1.00 0.00 C ATOM 131 OE1 GLN A 9 -5.689 16.520 3.209 1.00 0.00 O ATOM 132 NE2 GLN A 9 -5.714 16.861 5.390 1.00 0.00 N ATOM 0 H GLN A 9 -7.428 12.270 4.860 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.470 13.871 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.460 13.739 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.424 14.800 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.286 15.941 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.318 14.882 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.140 16.656 6.294 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.928 17.508 5.332 1.00 0.00 H new ATOM 141 N LYS A 10 -7.661 12.051 1.650 1.00 0.00 N ATOM 142 CA LYS A 10 -7.565 11.555 0.293 1.00 0.00 C ATOM 143 C LYS A 10 -8.010 10.131 0.134 1.00 0.00 C ATOM 144 O LYS A 10 -8.144 9.637 -0.975 1.00 0.00 O ATOM 145 CB LYS A 10 -6.162 11.722 -0.224 1.00 0.00 C ATOM 146 CG LYS A 10 -5.788 13.178 -0.296 1.00 0.00 C ATOM 147 CD LYS A 10 -4.715 13.438 -1.321 1.00 0.00 C ATOM 148 CE LYS A 10 -3.428 12.688 -1.052 1.00 0.00 C ATOM 149 NZ LYS A 10 -2.365 13.088 -2.015 1.00 0.00 N ATOM 0 H LYS A 10 -6.817 11.901 2.202 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.256 12.156 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.465 11.195 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.078 11.271 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.672 13.767 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.442 13.512 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.089 13.159 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.504 14.507 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.094 12.886 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.606 11.615 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.574 12.416 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.752 13.086 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.026 14.043 -1.781 1.00 0.00 H new ATOM 163 N ILE A 11 -8.266 9.479 1.226 1.00 0.00 N ATOM 164 CA ILE A 11 -8.795 8.176 1.112 1.00 0.00 C ATOM 165 C ILE A 11 -10.251 8.353 1.233 1.00 0.00 C ATOM 166 O ILE A 11 -10.954 7.847 0.448 1.00 0.00 O ATOM 167 CB ILE A 11 -8.210 7.091 2.094 1.00 0.00 C ATOM 168 CG1 ILE A 11 -7.957 5.802 1.379 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.184 6.732 3.249 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.228 5.135 1.036 1.00 0.00 C ATOM 0 H ILE A 11 -8.119 9.823 2.175 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.499 7.744 0.156 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.297 7.537 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.384 5.991 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.354 5.145 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.725 5.980 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.400 7.626 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.111 6.337 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.019 4.200 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.787 4.927 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.817 5.785 0.390 1.00 0.00 H new ATOM 182 N GLU A 12 -10.695 9.226 2.112 1.00 0.00 N ATOM 183 CA GLU A 12 -12.099 9.337 2.292 1.00 0.00 C ATOM 184 C GLU A 12 -12.765 10.187 1.223 1.00 0.00 C ATOM 185 O GLU A 12 -13.978 10.110 1.037 1.00 0.00 O ATOM 186 CB GLU A 12 -12.430 9.727 3.716 1.00 0.00 C ATOM 187 CG GLU A 12 -12.190 8.575 4.683 1.00 0.00 C ATOM 188 CD GLU A 12 -12.739 8.829 6.056 1.00 0.00 C ATOM 189 OE1 GLU A 12 -12.033 9.387 6.908 1.00 0.00 O ATOM 190 OE2 GLU A 12 -13.908 8.462 6.309 1.00 0.00 O ATOM 0 H GLU A 12 -10.118 9.841 2.686 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.541 8.352 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.822 10.582 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.472 10.041 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.644 7.670 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.119 8.388 4.756 1.00 0.00 H new ATOM 197 N GLU A 13 -11.977 10.973 0.504 1.00 0.00 N ATOM 198 CA GLU A 13 -12.492 11.803 -0.569 1.00 0.00 C ATOM 199 C GLU A 13 -12.411 11.037 -1.905 1.00 0.00 C ATOM 200 O GLU A 13 -13.271 11.192 -2.775 1.00 0.00 O ATOM 201 CB GLU A 13 -11.728 13.120 -0.650 1.00 0.00 C ATOM 202 CG GLU A 13 -10.486 13.076 -1.506 1.00 0.00 C ATOM 203 CD GLU A 13 -9.783 14.402 -1.592 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.332 15.333 -2.214 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.666 14.542 -1.060 1.00 0.00 O ATOM 0 H GLU A 13 -10.970 11.052 0.648 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.536 12.039 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.395 13.888 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.447 13.424 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.799 12.333 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.755 12.748 -2.510 1.00 0.00 H new ATOM 212 N LEU A 14 -11.370 10.203 -2.066 1.00 0.00 N ATOM 213 CA LEU A 14 -11.249 9.378 -3.259 1.00 0.00 C ATOM 214 C LEU A 14 -12.121 8.171 -3.111 1.00 0.00 C ATOM 215 O LEU A 14 -12.576 7.606 -4.101 1.00 0.00 O ATOM 216 CB LEU A 14 -9.807 8.973 -3.601 1.00 0.00 C ATOM 217 CG LEU A 14 -8.997 9.915 -4.517 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.677 10.097 -5.866 1.00 0.00 C ATOM 219 CD2 LEU A 14 -8.720 11.257 -3.869 1.00 0.00 C ATOM 0 H LEU A 14 -10.615 10.089 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.579 9.987 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.259 8.861 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.837 7.991 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.033 9.433 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.081 10.766 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.770 9.130 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.668 10.526 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.148 11.881 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.664 11.749 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.149 11.108 -2.953 1.00 0.00 H new ATOM 231 N SER A 15 -12.182 7.667 -1.897 1.00 0.00 N ATOM 232 CA SER A 15 -13.226 6.736 -1.554 1.00 0.00 C ATOM 233 C SER A 15 -14.584 7.387 -1.799 1.00 0.00 C ATOM 234 O SER A 15 -15.003 7.438 -2.943 1.00 0.00 O ATOM 235 CB SER A 15 -13.078 6.169 -0.147 1.00 0.00 C ATOM 236 OG SER A 15 -12.161 5.106 -0.142 1.00 0.00 O ATOM 0 H SER A 15 -11.530 7.884 -1.144 1.00 0.00 H new ATOM 0 HA SER A 15 -13.142 5.866 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.742 6.951 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.046 5.824 0.217 1.00 0.00 H new ATOM 0 HG SER A 15 -12.075 4.753 0.768 1.00 0.00 H new ATOM 242 N ALA A 16 -15.265 7.892 -0.771 1.00 0.00 N ATOM 243 CA ALA A 16 -16.519 8.621 -0.976 1.00 0.00 C ATOM 244 C ALA A 16 -17.482 7.870 -1.914 1.00 0.00 C ATOM 245 O ALA A 16 -17.631 6.667 -1.822 1.00 0.00 O ATOM 246 CB ALA A 16 -16.189 10.010 -1.504 1.00 0.00 C ATOM 0 H ALA A 16 -14.974 7.812 0.203 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.041 8.706 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.112 10.568 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.567 10.536 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.651 9.922 -2.448 1.00 0.00 H new ATOM 252 N GLU A 17 -18.075 8.581 -2.843 1.00 0.00 N ATOM 253 CA GLU A 17 -18.984 8.017 -3.830 1.00 0.00 C ATOM 254 C GLU A 17 -18.214 7.394 -4.990 1.00 0.00 C ATOM 255 O GLU A 17 -18.795 7.054 -6.027 1.00 0.00 O ATOM 256 CB GLU A 17 -19.808 9.131 -4.404 1.00 0.00 C ATOM 257 CG GLU A 17 -20.520 9.971 -3.366 1.00 0.00 C ATOM 258 CD GLU A 17 -21.215 11.146 -3.981 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.521 12.074 -4.460 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.454 11.167 -3.995 1.00 0.00 O ATOM 0 H GLU A 17 -17.941 9.587 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.594 7.258 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.162 9.777 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.548 8.708 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.247 9.355 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.800 10.321 -2.626 1.00 0.00 H new ATOM 267 N ILE A 18 -16.926 7.270 -4.839 1.00 0.00 N ATOM 268 CA ILE A 18 -16.084 6.705 -5.846 1.00 0.00 C ATOM 269 C ILE A 18 -15.456 5.450 -5.331 1.00 0.00 C ATOM 270 O ILE A 18 -16.058 4.387 -5.524 1.00 0.00 O ATOM 271 CB ILE A 18 -15.163 7.726 -6.602 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.913 7.063 -7.192 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.822 8.944 -5.749 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.042 7.982 -8.029 1.00 0.00 C ATOM 0 H ILE A 18 -16.427 7.564 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.704 6.398 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.745 8.093 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.313 6.660 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.223 6.218 -7.808 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.183 9.619 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.740 9.462 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.299 8.623 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.182 7.427 -8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.621 8.366 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.697 8.814 -7.416 1.00 0.00 H new ATOM 286 N GLY A 19 -14.305 5.433 -4.686 1.00 0.00 N ATOM 287 CA GLY A 19 -13.722 4.309 -4.079 1.00 0.00 C ATOM 288 C GLY A 19 -14.552 3.521 -3.124 1.00 0.00 C ATOM 289 O GLY A 19 -14.183 2.423 -2.847 1.00 0.00 O ATOM 0 H GLY A 19 -13.735 6.272 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.393 3.635 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.828 4.641 -3.550 1.00 0.00 H new ATOM 293 N SER A 20 -15.673 3.990 -2.648 1.00 0.00 N ATOM 294 CA SER A 20 -16.447 3.115 -1.793 1.00 0.00 C ATOM 295 C SER A 20 -16.959 1.909 -2.607 1.00 0.00 C ATOM 296 O SER A 20 -17.290 0.865 -2.059 1.00 0.00 O ATOM 297 CB SER A 20 -17.531 3.887 -1.071 1.00 0.00 C ATOM 298 OG SER A 20 -18.311 3.071 -0.211 1.00 0.00 O ATOM 0 H SER A 20 -16.060 4.918 -2.820 1.00 0.00 H new ATOM 0 HA SER A 20 -15.816 2.706 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.074 4.687 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.183 4.360 -1.805 1.00 0.00 H new ATOM 0 HG SER A 20 -18.993 3.619 0.230 1.00 0.00 H new ATOM 304 N ASP A 21 -16.948 2.048 -3.933 1.00 0.00 N ATOM 305 CA ASP A 21 -17.191 0.915 -4.802 1.00 0.00 C ATOM 306 C ASP A 21 -15.987 0.539 -5.627 1.00 0.00 C ATOM 307 O ASP A 21 -16.048 -0.416 -6.386 1.00 0.00 O ATOM 308 CB ASP A 21 -18.380 1.138 -5.720 1.00 0.00 C ATOM 309 CG ASP A 21 -19.697 1.091 -4.991 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.132 2.128 -4.460 1.00 0.00 O ATOM 311 OD2 ASP A 21 -20.319 0.004 -4.916 1.00 0.00 O ATOM 0 H ASP A 21 -16.774 2.929 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.415 0.087 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.277 2.105 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.376 0.380 -6.503 1.00 0.00 H new ATOM 316 N ASN A 22 -14.900 1.286 -5.536 1.00 0.00 N ATOM 317 CA ASN A 22 -13.703 0.908 -6.278 1.00 0.00 C ATOM 318 C ASN A 22 -12.561 0.424 -5.337 1.00 0.00 C ATOM 319 O ASN A 22 -11.881 -0.560 -5.619 1.00 0.00 O ATOM 320 CB ASN A 22 -13.244 2.061 -7.202 1.00 0.00 C ATOM 321 CG ASN A 22 -11.990 1.727 -8.012 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.069 1.158 -9.093 1.00 0.00 O ATOM 323 ND2 ASN A 22 -10.826 2.118 -7.519 1.00 0.00 N ATOM 0 H ASN A 22 -14.817 2.133 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.959 0.058 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.054 2.312 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.052 2.947 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.967 1.947 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.787 2.590 -6.616 1.00 0.00 H new ATOM 330 N VAL A 23 -12.382 1.110 -4.211 1.00 0.00 N ATOM 331 CA VAL A 23 -11.296 0.814 -3.260 1.00 0.00 C ATOM 332 C VAL A 23 -11.363 -0.544 -2.544 1.00 0.00 C ATOM 333 O VAL A 23 -10.333 -1.216 -2.498 1.00 0.00 O ATOM 334 CB VAL A 23 -10.937 1.962 -2.262 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.756 3.277 -2.969 1.00 0.00 C ATOM 336 CG2 VAL A 23 -11.844 2.080 -1.042 1.00 0.00 C ATOM 0 H VAL A 23 -12.980 1.886 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.461 0.736 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.976 1.666 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.507 4.050 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.949 3.191 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.680 3.545 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.507 2.907 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.868 2.265 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.806 1.153 -0.470 1.00 0.00 H new ATOM 346 N PRO A 24 -12.527 -1.027 -1.994 1.00 0.00 N ATOM 347 CA PRO A 24 -12.545 -2.320 -1.314 1.00 0.00 C ATOM 348 C PRO A 24 -12.417 -3.421 -2.346 1.00 0.00 C ATOM 349 O PRO A 24 -11.966 -4.519 -2.055 1.00 0.00 O ATOM 350 CB PRO A 24 -13.909 -2.368 -0.605 1.00 0.00 C ATOM 351 CG PRO A 24 -14.479 -0.998 -0.747 1.00 0.00 C ATOM 352 CD PRO A 24 -13.873 -0.424 -1.991 1.00 0.00 C ATOM 0 HA PRO A 24 -11.728 -2.451 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.562 -3.114 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.797 -2.640 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.566 -1.034 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.241 -0.384 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.441 -0.694 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.831 0.665 -1.957 1.00 0.00 H new ATOM 360 N VAL A 25 -12.845 -3.091 -3.555 1.00 0.00 N ATOM 361 CA VAL A 25 -12.630 -3.973 -4.670 1.00 0.00 C ATOM 362 C VAL A 25 -11.134 -4.176 -4.851 1.00 0.00 C ATOM 363 O VAL A 25 -10.633 -5.258 -4.629 1.00 0.00 O ATOM 364 CB VAL A 25 -13.248 -3.433 -5.983 1.00 0.00 C ATOM 365 CG1 VAL A 25 -12.994 -4.395 -7.139 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.738 -3.209 -5.811 1.00 0.00 C ATOM 0 H VAL A 25 -13.337 -2.226 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.127 -4.918 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.771 -2.481 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.438 -3.994 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.920 -4.517 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.442 -5.362 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.159 -2.829 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.220 -4.152 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.907 -2.485 -5.014 1.00 0.00 H new ATOM 376 N LEU A 26 -10.425 -3.099 -5.123 1.00 0.00 N ATOM 377 CA LEU A 26 -9.018 -3.143 -5.480 1.00 0.00 C ATOM 378 C LEU A 26 -8.161 -3.655 -4.293 1.00 0.00 C ATOM 379 O LEU A 26 -7.489 -4.684 -4.375 1.00 0.00 O ATOM 380 CB LEU A 26 -8.587 -1.692 -5.904 1.00 0.00 C ATOM 381 CG LEU A 26 -7.303 -1.514 -6.758 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.072 -2.090 -6.077 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.511 -2.135 -8.127 1.00 0.00 C ATOM 0 H LEU A 26 -10.813 -2.156 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.860 -3.837 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.416 -1.250 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.462 -1.105 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.120 -0.445 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.200 -1.941 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.915 -1.587 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.217 -3.156 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.608 -2.009 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.727 -3.198 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.348 -1.645 -8.625 1.00 0.00 H new ATOM 395 N LEU A 27 -8.168 -2.839 -3.273 1.00 0.00 N ATOM 396 CA LEU A 27 -7.343 -3.088 -2.098 1.00 0.00 C ATOM 397 C LEU A 27 -7.478 -4.536 -1.599 1.00 0.00 C ATOM 398 O LEU A 27 -6.497 -5.253 -1.483 1.00 0.00 O ATOM 399 CB LEU A 27 -7.753 -2.161 -0.957 1.00 0.00 C ATOM 400 CG LEU A 27 -6.988 -2.387 0.340 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.549 -1.901 0.234 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.714 -1.773 1.514 1.00 0.00 C ATOM 0 H LEU A 27 -8.734 -1.992 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.310 -2.905 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.610 -1.128 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.818 -2.290 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.941 -3.461 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.034 -2.079 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.040 -2.442 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.541 -0.834 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.145 -1.950 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.821 -0.700 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.701 -2.226 1.609 1.00 0.00 H new ATOM 414 N ASP A 28 -8.698 -4.973 -1.378 1.00 0.00 N ATOM 415 CA ASP A 28 -8.943 -6.271 -0.759 1.00 0.00 C ATOM 416 C ASP A 28 -8.572 -7.438 -1.681 1.00 0.00 C ATOM 417 O ASP A 28 -8.100 -8.471 -1.213 1.00 0.00 O ATOM 418 CB ASP A 28 -10.404 -6.353 -0.313 1.00 0.00 C ATOM 419 CG ASP A 28 -10.751 -7.585 0.485 1.00 0.00 C ATOM 420 OD1 ASP A 28 -11.073 -8.624 -0.106 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.776 -7.514 1.731 1.00 0.00 O ATOM 0 H ASP A 28 -9.542 -4.452 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.295 -6.360 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.637 -5.472 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.042 -6.317 -1.196 1.00 0.00 H new ATOM 426 N ILE A 29 -8.714 -7.250 -2.990 1.00 0.00 N ATOM 427 CA ILE A 29 -8.434 -8.340 -3.931 1.00 0.00 C ATOM 428 C ILE A 29 -6.944 -8.513 -4.082 1.00 0.00 C ATOM 429 O ILE A 29 -6.414 -9.602 -3.917 1.00 0.00 O ATOM 430 CB ILE A 29 -9.073 -8.168 -5.360 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.580 -6.881 -6.049 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.592 -8.215 -5.301 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.053 -6.639 -7.464 1.00 0.00 C ATOM 0 H ILE A 29 -9.014 -6.375 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.902 -9.222 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.742 -9.012 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.886 -6.031 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.490 -6.895 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.999 -8.093 -6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.911 -9.175 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.956 -7.411 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.635 -5.702 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.724 -7.459 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.141 -6.582 -7.479 1.00 0.00 H new ATOM 445 N PHE A 30 -6.269 -7.406 -4.315 1.00 0.00 N ATOM 446 CA PHE A 30 -4.873 -7.403 -4.606 1.00 0.00 C ATOM 447 C PHE A 30 -4.023 -7.622 -3.393 1.00 0.00 C ATOM 448 O PHE A 30 -2.894 -7.995 -3.496 1.00 0.00 O ATOM 449 CB PHE A 30 -4.506 -6.167 -5.388 1.00 0.00 C ATOM 450 CG PHE A 30 -4.778 -6.315 -6.868 1.00 0.00 C ATOM 451 CD1 PHE A 30 -4.211 -7.362 -7.581 1.00 0.00 C ATOM 452 CD2 PHE A 30 -5.597 -5.428 -7.542 1.00 0.00 C ATOM 453 CE1 PHE A 30 -4.454 -7.514 -8.932 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.843 -5.574 -8.894 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.274 -6.619 -9.589 1.00 0.00 C ATOM 0 H PHE A 30 -6.691 -6.478 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.658 -8.263 -5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.068 -5.317 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.449 -5.946 -5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.571 -8.068 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.051 -4.609 -7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.003 -8.332 -9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.481 -4.869 -9.406 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.469 -6.737 -10.645 1.00 0.00 H new ATOM 465 N LEU A 31 -4.622 -7.503 -2.257 1.00 0.00 N ATOM 466 CA LEU A 31 -3.940 -7.812 -1.074 1.00 0.00 C ATOM 467 C LEU A 31 -4.281 -9.201 -0.629 1.00 0.00 C ATOM 468 O LEU A 31 -3.430 -9.884 -0.120 1.00 0.00 O ATOM 469 CB LEU A 31 -4.112 -6.713 -0.013 1.00 0.00 C ATOM 470 CG LEU A 31 -3.246 -5.448 -0.161 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.772 -5.794 -0.042 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.498 -4.674 -1.448 1.00 0.00 C ATOM 0 H LEU A 31 -5.586 -7.192 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.866 -7.823 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.158 -6.407 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.905 -7.151 0.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.542 -4.789 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.176 -4.888 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.581 -6.241 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.500 -6.502 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.851 -3.798 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.284 -5.313 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.540 -4.357 -1.484 1.00 0.00 H new ATOM 484 N GLY A 32 -5.515 -9.653 -0.858 1.00 0.00 N ATOM 485 CA GLY A 32 -5.931 -11.000 -0.533 1.00 0.00 C ATOM 486 C GLY A 32 -5.301 -12.059 -1.437 1.00 0.00 C ATOM 487 O GLY A 32 -4.901 -13.121 -0.954 1.00 0.00 O ATOM 0 H GLY A 32 -6.251 -9.084 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.670 -11.214 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.016 -11.066 -0.608 1.00 0.00 H new ATOM 491 N GLU A 33 -5.212 -11.803 -2.747 1.00 0.00 N ATOM 492 CA GLU A 33 -4.570 -12.770 -3.643 1.00 0.00 C ATOM 493 C GLU A 33 -3.055 -12.660 -3.540 1.00 0.00 C ATOM 494 O GLU A 33 -2.341 -13.631 -3.679 1.00 0.00 O ATOM 495 CB GLU A 33 -5.055 -12.691 -5.101 1.00 0.00 C ATOM 496 CG GLU A 33 -4.735 -11.405 -5.841 1.00 0.00 C ATOM 497 CD GLU A 33 -5.127 -11.496 -7.293 1.00 0.00 C ATOM 498 OE1 GLU A 33 -4.387 -12.123 -8.074 1.00 0.00 O ATOM 499 OE2 GLU A 33 -6.197 -10.983 -7.679 1.00 0.00 O ATOM 0 H GLU A 33 -5.565 -10.960 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.876 -13.759 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.618 -13.523 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.136 -12.833 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.260 -10.573 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.669 -11.194 -5.763 1.00 0.00 H new ATOM 506 N MET A 34 -2.593 -11.478 -3.231 1.00 0.00 N ATOM 507 CA MET A 34 -1.153 -11.376 -2.971 1.00 0.00 C ATOM 508 C MET A 34 -0.801 -12.127 -1.729 1.00 0.00 C ATOM 509 O MET A 34 0.173 -12.869 -1.682 1.00 0.00 O ATOM 510 CB MET A 34 -0.755 -9.994 -2.795 1.00 0.00 C ATOM 511 CG MET A 34 -0.273 -9.361 -4.082 1.00 0.00 C ATOM 512 SD MET A 34 -1.275 -9.770 -5.543 1.00 0.00 S ATOM 513 CE MET A 34 -0.388 -8.870 -6.812 1.00 0.00 C ATOM 0 H MET A 34 -3.135 -10.617 -3.152 1.00 0.00 H new ATOM 0 HA MET A 34 -0.631 -11.798 -3.830 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.598 -9.423 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.037 -9.940 -2.048 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.260 -8.278 -3.957 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.755 -9.673 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.690 -9.233 -7.794 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.617 -7.807 -6.732 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.684 -9.021 -6.684 1.00 0.00 H new ATOM 523 N ASP A 35 -1.685 -12.031 -0.760 1.00 0.00 N ATOM 524 CA ASP A 35 -1.634 -12.739 0.497 1.00 0.00 C ATOM 525 C ASP A 35 -1.647 -14.223 0.214 1.00 0.00 C ATOM 526 O ASP A 35 -1.031 -15.029 0.917 1.00 0.00 O ATOM 527 CB ASP A 35 -2.879 -12.317 1.286 1.00 0.00 C ATOM 528 CG ASP A 35 -3.169 -13.123 2.552 1.00 0.00 C ATOM 529 OD1 ASP A 35 -3.701 -14.258 2.456 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.941 -12.608 3.667 1.00 0.00 O ATOM 0 H ASP A 35 -2.501 -11.424 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.734 -12.511 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.773 -11.268 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.745 -12.387 0.627 1.00 0.00 H new ATOM 535 N SER A 36 -2.294 -14.555 -0.880 1.00 0.00 N ATOM 536 CA SER A 36 -2.388 -15.924 -1.281 1.00 0.00 C ATOM 537 C SER A 36 -1.069 -16.380 -1.780 1.00 0.00 C ATOM 538 O SER A 36 -0.497 -17.376 -1.326 1.00 0.00 O ATOM 539 CB SER A 36 -3.363 -16.142 -2.410 1.00 0.00 C ATOM 540 OG SER A 36 -4.650 -15.632 -2.098 1.00 0.00 O ATOM 0 H SER A 36 -2.759 -13.892 -1.501 1.00 0.00 H new ATOM 0 HA SER A 36 -2.725 -16.475 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.989 -15.658 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.437 -17.208 -2.627 1.00 0.00 H new ATOM 0 HG SER A 36 -4.558 -14.784 -1.615 1.00 0.00 H new ATOM 546 N TYR A 37 -0.573 -15.586 -2.678 1.00 0.00 N ATOM 547 CA TYR A 37 0.567 -15.923 -3.418 1.00 0.00 C ATOM 548 C TYR A 37 1.768 -16.028 -2.616 1.00 0.00 C ATOM 549 O TYR A 37 2.390 -17.028 -2.606 1.00 0.00 O ATOM 550 CB TYR A 37 0.703 -15.094 -4.655 1.00 0.00 C ATOM 551 CG TYR A 37 -0.187 -15.718 -5.637 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.246 -16.835 -6.240 1.00 0.00 C ATOM 553 CD2 TYR A 37 -1.467 -15.298 -5.835 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.536 -17.567 -7.053 1.00 0.00 C ATOM 555 CE2 TYR A 37 -2.304 -15.996 -6.673 1.00 0.00 C ATOM 556 CZ TYR A 37 -1.834 -17.150 -7.284 1.00 0.00 C ATOM 557 OH TYR A 37 -2.664 -17.895 -8.090 1.00 0.00 O ATOM 0 H TYR A 37 -0.968 -14.674 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 37 0.417 -16.941 -3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.418 -14.059 -4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.734 -15.082 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.261 -17.159 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.826 -14.413 -5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.157 -18.465 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.312 -15.652 -6.853 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.541 -17.462 -8.146 1.00 0.00 H new ATOM 567 N ILE A 38 1.976 -15.098 -1.812 1.00 0.00 N ATOM 568 CA ILE A 38 3.093 -14.990 -0.950 1.00 0.00 C ATOM 569 C ILE A 38 3.084 -16.132 0.059 1.00 0.00 C ATOM 570 O ILE A 38 4.113 -16.690 0.350 1.00 0.00 O ATOM 571 CB ILE A 38 3.089 -13.573 -0.333 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.679 -12.559 -1.345 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.782 -13.487 1.025 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.994 -12.468 -2.712 1.00 0.00 C ATOM 0 H ILE A 38 1.329 -14.315 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 38 4.037 -15.098 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 38 2.049 -13.317 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.656 -11.570 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.727 -12.811 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.737 -12.462 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.280 -14.148 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.824 -13.790 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.502 -11.724 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.040 -13.438 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.952 -12.178 -2.578 1.00 0.00 H new ATOM 586 N GLY A 39 1.896 -16.531 0.472 1.00 0.00 N ATOM 587 CA GLY A 39 1.766 -17.669 1.367 1.00 0.00 C ATOM 588 C GLY A 39 2.213 -18.989 0.723 1.00 0.00 C ATOM 589 O GLY A 39 3.011 -19.732 1.300 1.00 0.00 O ATOM 0 H GLY A 39 1.015 -16.091 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.359 -17.489 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.727 -17.759 1.684 1.00 0.00 H new ATOM 593 N THR A 40 1.767 -19.225 -0.501 1.00 0.00 N ATOM 594 CA THR A 40 1.995 -20.458 -1.206 1.00 0.00 C ATOM 595 C THR A 40 3.351 -20.429 -1.887 1.00 0.00 C ATOM 596 O THR A 40 4.152 -21.336 -1.756 1.00 0.00 O ATOM 597 CB THR A 40 0.878 -20.655 -2.254 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.393 -20.756 -1.598 1.00 0.00 O ATOM 599 CG2 THR A 40 1.116 -21.876 -3.129 1.00 0.00 C ATOM 0 H THR A 40 1.226 -18.545 -1.035 1.00 0.00 H new ATOM 0 HA THR A 40 1.982 -21.288 -0.500 1.00 0.00 H new ATOM 0 HB THR A 40 0.886 -19.784 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.098 -20.879 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.304 -21.971 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.061 -21.764 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.154 -22.769 -2.505 1.00 0.00 H new ATOM 607 N LEU A 41 3.592 -19.376 -2.621 1.00 0.00 N ATOM 608 CA LEU A 41 4.787 -19.103 -3.381 1.00 0.00 C ATOM 609 C LEU A 41 6.032 -18.884 -2.507 1.00 0.00 C ATOM 610 O LEU A 41 7.113 -19.020 -2.998 1.00 0.00 O ATOM 611 CB LEU A 41 4.486 -17.882 -4.245 1.00 0.00 C ATOM 612 CG LEU A 41 3.578 -18.055 -5.473 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.331 -18.659 -6.641 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.374 -18.944 -5.210 1.00 0.00 C ATOM 0 H LEU A 41 2.905 -18.627 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 41 5.036 -19.971 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.034 -17.126 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.438 -17.479 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 41 3.236 -17.047 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.658 -18.767 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.161 -18.007 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.717 -19.638 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.775 -19.024 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.713 -19.936 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.769 -18.511 -4.413 1.00 0.00 H new ATOM 626 N THR A 42 5.857 -18.529 -1.234 1.00 0.00 N ATOM 627 CA THR A 42 7.021 -18.492 -0.308 1.00 0.00 C ATOM 628 C THR A 42 7.267 -19.883 0.205 1.00 0.00 C ATOM 629 O THR A 42 8.400 -20.303 0.436 1.00 0.00 O ATOM 630 CB THR A 42 6.893 -17.490 0.883 1.00 0.00 C ATOM 631 OG1 THR A 42 8.201 -17.146 1.354 1.00 0.00 O ATOM 632 CG2 THR A 42 6.116 -18.062 2.077 1.00 0.00 C ATOM 0 H THR A 42 4.962 -18.270 -0.819 1.00 0.00 H new ATOM 0 HA THR A 42 7.865 -18.120 -0.888 1.00 0.00 H new ATOM 0 HB THR A 42 6.348 -16.627 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.235 -16.187 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.064 -17.315 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.107 -18.327 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.625 -18.951 2.450 1.00 0.00 H new ATOM 640 N GLU A 43 6.177 -20.609 0.303 1.00 0.00 N ATOM 641 CA GLU A 43 6.207 -22.011 0.660 1.00 0.00 C ATOM 642 C GLU A 43 6.759 -22.808 -0.537 1.00 0.00 C ATOM 643 O GLU A 43 6.982 -24.014 -0.466 1.00 0.00 O ATOM 644 CB GLU A 43 4.804 -22.486 1.083 1.00 0.00 C ATOM 645 CG GLU A 43 4.729 -23.939 1.509 1.00 0.00 C ATOM 646 CD GLU A 43 3.354 -24.350 1.973 1.00 0.00 C ATOM 647 OE1 GLU A 43 2.467 -24.572 1.120 1.00 0.00 O ATOM 648 OE2 GLU A 43 3.142 -24.463 3.199 1.00 0.00 O ATOM 0 H GLU A 43 5.240 -20.243 0.137 1.00 0.00 H new ATOM 0 HA GLU A 43 6.862 -22.174 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.457 -21.862 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.116 -22.329 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.028 -24.572 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.444 -24.113 2.313 1.00 0.00 H new ATOM 655 N LEU A 44 6.991 -22.110 -1.645 1.00 0.00 N ATOM 656 CA LEU A 44 7.547 -22.674 -2.808 1.00 0.00 C ATOM 657 C LEU A 44 8.928 -22.103 -3.112 1.00 0.00 C ATOM 658 O LEU A 44 9.820 -22.847 -3.528 1.00 0.00 O ATOM 659 CB LEU A 44 6.569 -22.395 -3.951 1.00 0.00 C ATOM 660 CG LEU A 44 5.413 -23.373 -4.110 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.452 -22.864 -5.164 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.938 -24.750 -4.493 1.00 0.00 C ATOM 0 H LEU A 44 6.783 -21.115 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 44 7.691 -23.746 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.154 -21.397 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.131 -22.377 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 44 4.884 -23.456 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.627 -23.567 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.062 -21.892 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.974 -22.766 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.102 -25.440 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.481 -24.683 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.608 -25.114 -3.714 1.00 0.00 H new ATOM 674 N GLN A 45 9.123 -20.799 -2.837 1.00 0.00 N ATOM 675 CA GLN A 45 10.296 -20.070 -3.322 1.00 0.00 C ATOM 676 C GLN A 45 10.251 -18.587 -2.941 1.00 0.00 C ATOM 677 O GLN A 45 9.508 -18.187 -2.058 1.00 0.00 O ATOM 678 CB GLN A 45 10.286 -20.215 -4.837 1.00 0.00 C ATOM 679 CG GLN A 45 9.052 -19.662 -5.525 1.00 0.00 C ATOM 680 CD GLN A 45 8.966 -20.077 -6.979 1.00 0.00 C ATOM 681 OE1 GLN A 45 9.460 -19.383 -7.858 1.00 0.00 O ATOM 682 NE2 GLN A 45 8.360 -21.214 -7.234 1.00 0.00 N ATOM 0 H GLN A 45 8.480 -20.235 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 45 11.202 -20.476 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.165 -19.713 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.380 -21.272 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.161 -20.006 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.060 -18.574 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.962 -21.762 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.288 -21.549 -8.195 1.00 0.00 H new ATOM 691 N GLY A 46 11.066 -17.781 -3.613 1.00 0.00 N ATOM 692 CA GLY A 46 11.052 -16.341 -3.443 1.00 0.00 C ATOM 693 C GLY A 46 10.162 -15.684 -4.484 1.00 0.00 C ATOM 694 O GLY A 46 10.383 -14.570 -4.894 1.00 0.00 O ATOM 0 H GLY A 46 11.753 -18.112 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.696 -16.092 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.066 -15.950 -3.526 1.00 0.00 H new ATOM 698 N SER A 47 9.230 -16.451 -4.990 1.00 0.00 N ATOM 699 CA SER A 47 8.242 -15.947 -5.911 1.00 0.00 C ATOM 700 C SER A 47 7.487 -14.853 -5.228 1.00 0.00 C ATOM 701 O SER A 47 7.268 -13.806 -5.825 1.00 0.00 O ATOM 702 CB SER A 47 7.347 -17.056 -6.431 1.00 0.00 C ATOM 703 OG SER A 47 6.433 -16.578 -7.400 1.00 0.00 O ATOM 0 H SER A 47 9.134 -17.444 -4.775 1.00 0.00 H new ATOM 0 HA SER A 47 8.725 -15.536 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.960 -17.845 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.798 -17.501 -5.601 1.00 0.00 H new ATOM 0 HG SER A 47 6.467 -17.152 -8.193 1.00 0.00 H new ATOM 709 N GLU A 48 7.017 -15.156 -4.019 1.00 0.00 N ATOM 710 CA GLU A 48 6.535 -14.230 -2.997 1.00 0.00 C ATOM 711 C GLU A 48 7.134 -12.821 -3.233 1.00 0.00 C ATOM 712 O GLU A 48 6.416 -11.843 -3.424 1.00 0.00 O ATOM 713 CB GLU A 48 7.133 -14.843 -1.707 1.00 0.00 C ATOM 714 CG GLU A 48 6.989 -14.081 -0.411 1.00 0.00 C ATOM 715 CD GLU A 48 8.323 -13.986 0.331 1.00 0.00 C ATOM 716 OE1 GLU A 48 9.273 -13.397 -0.205 1.00 0.00 O ATOM 717 OE2 GLU A 48 8.453 -14.537 1.451 1.00 0.00 O ATOM 0 H GLU A 48 6.959 -16.125 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 48 5.452 -14.112 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.680 -15.824 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.197 -15.005 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.613 -13.079 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.252 -14.574 0.223 1.00 0.00 H new ATOM 724 N GLN A 49 8.457 -12.803 -3.222 1.00 0.00 N ATOM 725 CA GLN A 49 9.246 -11.610 -3.531 1.00 0.00 C ATOM 726 C GLN A 49 8.744 -10.834 -4.773 1.00 0.00 C ATOM 727 O GLN A 49 8.321 -9.688 -4.661 1.00 0.00 O ATOM 728 CB GLN A 49 10.715 -11.993 -3.711 1.00 0.00 C ATOM 729 CG GLN A 49 11.542 -10.870 -4.261 1.00 0.00 C ATOM 730 CD GLN A 49 12.953 -11.255 -4.549 1.00 0.00 C ATOM 731 OE1 GLN A 49 13.841 -11.130 -3.709 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.163 -11.724 -5.744 1.00 0.00 N ATOM 0 H GLN A 49 9.023 -13.621 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 49 9.129 -10.935 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.125 -12.305 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.783 -12.851 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.079 -10.504 -5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.537 -10.044 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.389 -11.807 -6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.102 -12.009 -6.022 1.00 0.00 H new ATOM 741 N LEU A 50 8.835 -11.437 -5.971 1.00 0.00 N ATOM 742 CA LEU A 50 8.426 -10.855 -7.219 1.00 0.00 C ATOM 743 C LEU A 50 6.975 -10.463 -7.134 1.00 0.00 C ATOM 744 O LEU A 50 6.566 -9.489 -7.739 1.00 0.00 O ATOM 745 CB LEU A 50 8.568 -11.905 -8.319 1.00 0.00 C ATOM 746 CG LEU A 50 8.179 -11.473 -9.737 1.00 0.00 C ATOM 747 CD1 LEU A 50 9.091 -10.370 -10.253 1.00 0.00 C ATOM 748 CD2 LEU A 50 8.198 -12.673 -10.668 1.00 0.00 C ATOM 0 H LEU A 50 9.213 -12.378 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 50 9.041 -9.981 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.605 -12.240 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.959 -12.767 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 50 7.168 -11.068 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.787 -10.088 -11.261 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.020 -9.503 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.120 -10.728 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.920 -12.358 -11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.199 -13.104 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.488 -13.420 -10.313 1.00 0.00 H new ATOM 760 N LEU A 51 6.221 -11.180 -6.309 1.00 0.00 N ATOM 761 CA LEU A 51 4.805 -10.974 -6.200 1.00 0.00 C ATOM 762 C LEU A 51 4.474 -9.764 -5.319 1.00 0.00 C ATOM 763 O LEU A 51 3.335 -9.351 -5.175 1.00 0.00 O ATOM 764 CB LEU A 51 4.106 -12.259 -5.829 1.00 0.00 C ATOM 765 CG LEU A 51 4.354 -13.410 -6.818 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.646 -14.656 -6.385 1.00 0.00 C ATOM 767 CD2 LEU A 51 3.934 -13.040 -8.235 1.00 0.00 C ATOM 0 H LEU A 51 6.585 -11.916 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 51 4.402 -10.704 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.436 -12.568 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.034 -12.073 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 51 5.428 -13.598 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.840 -15.453 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.008 -14.958 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.574 -14.466 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.126 -13.880 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.871 -12.801 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.505 -12.174 -8.569 1.00 0.00 H new ATOM 779 N TYR A 52 5.538 -9.143 -4.875 1.00 0.00 N ATOM 780 CA TYR A 52 5.521 -7.860 -4.205 1.00 0.00 C ATOM 781 C TYR A 52 5.961 -6.807 -5.123 1.00 0.00 C ATOM 782 O TYR A 52 5.471 -5.712 -5.083 1.00 0.00 O ATOM 783 CB TYR A 52 6.424 -7.873 -3.039 1.00 0.00 C ATOM 784 CG TYR A 52 5.603 -7.856 -1.799 1.00 0.00 C ATOM 785 CD1 TYR A 52 5.172 -6.648 -1.276 1.00 0.00 C ATOM 786 CD2 TYR A 52 5.161 -9.034 -1.217 1.00 0.00 C ATOM 787 CE1 TYR A 52 4.312 -6.619 -0.206 1.00 0.00 C ATOM 788 CE2 TYR A 52 4.318 -9.011 -0.127 1.00 0.00 C ATOM 789 CZ TYR A 52 3.888 -7.803 0.368 1.00 0.00 C ATOM 790 OH TYR A 52 3.002 -7.769 1.420 1.00 0.00 O ATOM 0 H TYR A 52 6.477 -9.529 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 52 4.501 -7.665 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.057 -8.760 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.087 -7.008 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.515 -5.722 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.481 -9.982 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.968 -5.674 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.998 -9.934 0.334 1.00 0.00 H new ATOM 0 HH TYR A 52 3.452 -7.416 2.216 1.00 0.00 H new ATOM 800 N LEU A 53 6.931 -7.188 -5.911 1.00 0.00 N ATOM 801 CA LEU A 53 7.278 -6.274 -6.995 1.00 0.00 C ATOM 802 C LEU A 53 5.967 -5.967 -7.745 1.00 0.00 C ATOM 803 O LEU A 53 5.682 -4.833 -8.103 1.00 0.00 O ATOM 804 CB LEU A 53 8.369 -6.874 -7.896 1.00 0.00 C ATOM 805 CG LEU A 53 8.862 -6.062 -9.109 1.00 0.00 C ATOM 806 CD1 LEU A 53 10.191 -6.621 -9.580 1.00 0.00 C ATOM 807 CD2 LEU A 53 7.875 -6.148 -10.263 1.00 0.00 C ATOM 0 H LEU A 53 7.467 -8.054 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 53 7.708 -5.345 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.234 -7.087 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.001 -7.830 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 53 8.963 -5.021 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.543 -6.049 -10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.921 -6.552 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.065 -7.665 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.248 -5.566 -11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.758 -7.189 -10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.910 -5.751 -9.947 1.00 0.00 H new ATOM 819 N LYS A 54 5.156 -7.001 -7.898 1.00 0.00 N ATOM 820 CA LYS A 54 3.831 -6.820 -8.486 1.00 0.00 C ATOM 821 C LYS A 54 2.908 -6.070 -7.577 1.00 0.00 C ATOM 822 O LYS A 54 2.362 -5.086 -7.970 1.00 0.00 O ATOM 823 CB LYS A 54 3.087 -8.087 -8.882 1.00 0.00 C ATOM 824 CG LYS A 54 3.879 -9.350 -8.869 1.00 0.00 C ATOM 825 CD LYS A 54 4.594 -9.670 -10.146 1.00 0.00 C ATOM 826 CE LYS A 54 5.372 -8.526 -10.740 1.00 0.00 C ATOM 827 NZ LYS A 54 5.617 -8.706 -12.183 1.00 0.00 N ATOM 0 H LYS A 54 5.382 -7.959 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 54 4.072 -6.268 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.238 -8.209 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.683 -7.947 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.613 -9.291 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.210 -10.177 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.277 -10.500 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.863 -10.013 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.826 -7.596 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.326 -8.430 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.155 -7.894 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.161 -9.579 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.708 -8.772 -12.684 1.00 0.00 H new ATOM 841 N GLU A 55 2.807 -6.487 -6.342 1.00 0.00 N ATOM 842 CA GLU A 55 1.754 -5.814 -5.600 1.00 0.00 C ATOM 843 C GLU A 55 2.079 -4.377 -5.342 1.00 0.00 C ATOM 844 O GLU A 55 1.227 -3.550 -5.400 1.00 0.00 O ATOM 845 CB GLU A 55 1.268 -6.498 -4.345 1.00 0.00 C ATOM 846 CG GLU A 55 2.238 -6.566 -3.206 1.00 0.00 C ATOM 847 CD GLU A 55 1.533 -6.594 -1.872 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.182 -7.688 -1.399 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.355 -5.510 -1.282 1.00 0.00 O ATOM 0 H GLU A 55 3.361 -7.199 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 55 0.902 -5.875 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.372 -5.983 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.972 -7.515 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.858 -7.457 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.907 -5.706 -3.246 1.00 0.00 H new ATOM 856 N ILE A 56 3.318 -4.086 -5.155 1.00 0.00 N ATOM 857 CA ILE A 56 3.622 -2.703 -4.813 1.00 0.00 C ATOM 858 C ILE A 56 3.853 -1.797 -6.023 1.00 0.00 C ATOM 859 O ILE A 56 3.677 -0.593 -5.921 1.00 0.00 O ATOM 860 CB ILE A 56 4.727 -2.527 -3.760 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.050 -2.979 -4.349 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.376 -3.280 -2.479 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.181 -3.153 -3.355 1.00 0.00 C ATOM 0 H ILE A 56 4.109 -4.727 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 56 2.701 -2.365 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 56 4.816 -1.475 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.894 -3.927 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.359 -2.254 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.171 -3.142 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.440 -2.894 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.266 -4.342 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.080 -3.478 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.375 -2.204 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.902 -3.903 -2.614 1.00 0.00 H new ATOM 875 N SER A 57 4.230 -2.353 -7.160 1.00 0.00 N ATOM 876 CA SER A 57 4.405 -1.525 -8.340 1.00 0.00 C ATOM 877 C SER A 57 3.092 -1.534 -9.114 1.00 0.00 C ATOM 878 O SER A 57 2.616 -0.521 -9.627 1.00 0.00 O ATOM 879 CB SER A 57 5.562 -2.044 -9.221 1.00 0.00 C ATOM 880 OG SER A 57 5.843 -1.171 -10.318 1.00 0.00 O ATOM 0 H SER A 57 4.417 -3.347 -7.292 1.00 0.00 H new ATOM 0 HA SER A 57 4.664 -0.509 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.458 -2.157 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.310 -3.033 -9.602 1.00 0.00 H new ATOM 0 HG SER A 57 6.582 -1.538 -10.847 1.00 0.00 H new ATOM 886 N HIS A 58 2.537 -2.709 -9.169 1.00 0.00 N ATOM 887 CA HIS A 58 1.315 -2.952 -9.858 1.00 0.00 C ATOM 888 C HIS A 58 0.086 -2.541 -9.047 1.00 0.00 C ATOM 889 O HIS A 58 -0.486 -1.498 -9.353 1.00 0.00 O ATOM 890 CB HIS A 58 1.314 -4.371 -10.479 1.00 0.00 C ATOM 891 CG HIS A 58 0.016 -5.090 -10.569 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.341 -5.980 -9.594 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.920 -5.085 -11.537 1.00 0.00 C ATOM 894 CE1 HIS A 58 -1.470 -6.498 -9.984 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.866 -5.994 -11.155 1.00 0.00 N ATOM 0 H HIS A 58 2.933 -3.538 -8.726 1.00 0.00 H new ATOM 0 HA HIS A 58 1.240 -2.285 -10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.725 -4.296 -11.486 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.000 -4.990 -9.900 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.923 -4.484 -12.434 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.019 -7.244 -9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.713 -6.240 -11.667 1.00 0.00 H new ATOM 903 N ALA A 59 -0.310 -3.208 -7.962 1.00 0.00 N ATOM 904 CA ALA A 59 -1.570 -3.020 -7.261 1.00 0.00 C ATOM 905 C ALA A 59 -1.546 -1.821 -6.337 1.00 0.00 C ATOM 906 O ALA A 59 -2.382 -0.936 -6.455 1.00 0.00 O ATOM 907 CB ALA A 59 -1.864 -4.263 -6.454 1.00 0.00 C ATOM 0 H ALA A 59 0.271 -3.927 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.344 -2.840 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.807 -4.137 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.936 -5.122 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.061 -4.429 -5.735 1.00 0.00 H new ATOM 913 N LEU A 60 -0.581 -1.769 -5.428 1.00 0.00 N ATOM 914 CA LEU A 60 -0.441 -0.736 -4.432 1.00 0.00 C ATOM 915 C LEU A 60 -0.101 0.556 -5.072 1.00 0.00 C ATOM 916 O LEU A 60 -0.684 1.553 -4.754 1.00 0.00 O ATOM 917 CB LEU A 60 0.598 -1.137 -3.389 1.00 0.00 C ATOM 918 CG LEU A 60 0.568 -0.356 -2.083 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.787 -0.544 -1.389 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.695 -0.821 -1.170 1.00 0.00 C ATOM 0 H LEU A 60 0.150 -2.478 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.394 -0.611 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.465 -2.194 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.588 -1.029 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 60 0.707 0.703 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.799 0.019 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.583 -0.183 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.944 -1.602 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.665 -0.256 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.574 -1.883 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.653 -0.657 -1.663 1.00 0.00 H new ATOM 932 N LYS A 61 0.785 0.521 -6.026 1.00 0.00 N ATOM 933 CA LYS A 61 1.097 1.767 -6.686 1.00 0.00 C ATOM 934 C LYS A 61 -0.116 2.235 -7.522 1.00 0.00 C ATOM 935 O LYS A 61 -0.240 3.417 -7.832 1.00 0.00 O ATOM 936 CB LYS A 61 2.361 1.675 -7.522 1.00 0.00 C ATOM 937 CG LYS A 61 2.959 3.029 -7.881 1.00 0.00 C ATOM 938 CD LYS A 61 3.315 3.121 -9.348 1.00 0.00 C ATOM 939 CE LYS A 61 2.060 3.054 -10.200 1.00 0.00 C ATOM 940 NZ LYS A 61 2.349 3.158 -11.648 1.00 0.00 N ATOM 0 H LYS A 61 1.284 -0.306 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 61 1.300 2.516 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.104 1.093 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.140 1.131 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.249 3.817 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.852 3.202 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.846 4.053 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.989 2.308 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.541 2.116 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.385 3.859 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.459 3.107 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.820 4.065 -11.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.971 2.376 -11.935 1.00 0.00 H new ATOM 954 N SER A 62 -1.070 1.329 -7.783 1.00 0.00 N ATOM 955 CA SER A 62 -2.283 1.678 -8.478 1.00 0.00 C ATOM 956 C SER A 62 -3.283 2.311 -7.539 1.00 0.00 C ATOM 957 O SER A 62 -3.792 3.408 -7.780 1.00 0.00 O ATOM 958 CB SER A 62 -2.889 0.460 -9.187 1.00 0.00 C ATOM 959 OG SER A 62 -2.207 0.166 -10.401 1.00 0.00 O ATOM 0 H SER A 62 -1.008 0.347 -7.514 1.00 0.00 H new ATOM 0 HA SER A 62 -2.027 2.412 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.845 -0.405 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.942 0.647 -9.397 1.00 0.00 H new ATOM 0 HG SER A 62 -1.361 -0.285 -10.200 1.00 0.00 H new ATOM 965 N SER A 63 -3.508 1.666 -6.433 1.00 0.00 N ATOM 966 CA SER A 63 -4.478 2.004 -5.489 1.00 0.00 C ATOM 967 C SER A 63 -4.010 3.184 -4.678 1.00 0.00 C ATOM 968 O SER A 63 -4.773 4.056 -4.374 1.00 0.00 O ATOM 969 CB SER A 63 -4.655 0.768 -4.632 1.00 0.00 C ATOM 970 OG SER A 63 -3.434 0.380 -4.024 1.00 0.00 O ATOM 0 H SER A 63 -2.973 0.839 -6.169 1.00 0.00 H new ATOM 0 HA SER A 63 -5.424 2.297 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.401 0.962 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.034 -0.050 -5.245 1.00 0.00 H new ATOM 0 HG SER A 63 -3.581 -0.419 -3.477 1.00 0.00 H new ATOM 976 N ALA A 64 -2.738 3.216 -4.382 1.00 0.00 N ATOM 977 CA ALA A 64 -2.187 4.284 -3.585 1.00 0.00 C ATOM 978 C ALA A 64 -2.178 5.572 -4.378 1.00 0.00 C ATOM 979 O ALA A 64 -2.483 6.610 -3.859 1.00 0.00 O ATOM 980 CB ALA A 64 -0.807 3.942 -3.071 1.00 0.00 C ATOM 0 H ALA A 64 -2.061 2.514 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.824 4.421 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.425 4.771 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.861 3.045 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.139 3.763 -3.913 1.00 0.00 H new ATOM 986 N ALA A 65 -1.969 5.480 -5.671 1.00 0.00 N ATOM 987 CA ALA A 65 -1.926 6.660 -6.521 1.00 0.00 C ATOM 988 C ALA A 65 -3.310 7.273 -6.551 1.00 0.00 C ATOM 989 O ALA A 65 -3.479 8.474 -6.726 1.00 0.00 O ATOM 990 CB ALA A 65 -1.491 6.289 -7.931 1.00 0.00 C ATOM 0 H ALA A 65 -1.825 4.599 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.204 7.373 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.465 7.185 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.498 5.841 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.198 5.575 -8.354 1.00 0.00 H new ATOM 996 N SER A 66 -4.292 6.425 -6.343 1.00 0.00 N ATOM 997 CA SER A 66 -5.647 6.837 -6.283 1.00 0.00 C ATOM 998 C SER A 66 -6.014 7.246 -4.845 1.00 0.00 C ATOM 999 O SER A 66 -6.425 8.375 -4.629 1.00 0.00 O ATOM 1000 CB SER A 66 -6.554 5.706 -6.803 1.00 0.00 C ATOM 1001 OG SER A 66 -7.904 6.128 -6.974 1.00 0.00 O ATOM 0 H SER A 66 -4.155 5.423 -6.211 1.00 0.00 H new ATOM 0 HA SER A 66 -5.795 7.709 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.167 5.342 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.523 4.869 -6.105 1.00 0.00 H new ATOM 0 HG SER A 66 -8.441 5.379 -7.307 1.00 0.00 H new ATOM 1007 N PHE A 67 -5.794 6.377 -3.856 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.323 6.652 -2.501 1.00 0.00 C ATOM 1009 C PHE A 67 -5.255 6.683 -1.372 1.00 0.00 C ATOM 1010 O PHE A 67 -5.488 6.330 -0.231 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.507 5.723 -2.191 1.00 0.00 C ATOM 1012 CG PHE A 67 -7.228 4.241 -2.166 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -6.723 3.629 -1.033 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.523 3.462 -3.257 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -6.508 2.270 -0.994 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -7.324 2.098 -3.230 1.00 0.00 C ATOM 1017 CZ PHE A 67 -6.814 1.500 -2.092 1.00 0.00 C ATOM 0 H PHE A 67 -5.274 5.505 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.688 7.679 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.915 6.007 -1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.286 5.908 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.493 4.228 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.917 3.924 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.101 1.810 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.566 1.498 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.656 0.432 -2.066 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.128 7.197 -1.713 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.040 7.338 -0.747 1.00 0.00 C ATOM 1029 C GLY A 68 -1.856 7.915 -1.443 1.00 0.00 C ATOM 1030 O GLY A 68 -0.720 7.586 -1.155 1.00 0.00 O ATOM 0 H GLY A 68 -3.912 7.535 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.347 7.984 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.790 6.369 -0.316 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.229 8.881 -2.256 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.302 9.534 -3.211 1.00 0.00 C ATOM 1036 C ALA A 69 -0.191 10.380 -2.563 1.00 0.00 C ATOM 1037 O ALA A 69 0.291 11.335 -3.156 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.103 10.371 -4.180 1.00 0.00 C ATOM 0 H ALA A 69 -3.180 9.249 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.776 8.730 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.429 10.855 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.800 9.732 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.660 11.131 -3.631 1.00 0.00 H new ATOM 1044 N ASP A 70 0.170 10.045 -1.350 1.00 0.00 N ATOM 1045 CA ASP A 70 1.187 10.754 -0.608 1.00 0.00 C ATOM 1046 C ASP A 70 2.051 9.584 -0.081 1.00 0.00 C ATOM 1047 O ASP A 70 2.065 8.503 -0.725 1.00 0.00 O ATOM 1048 CB ASP A 70 0.548 11.547 0.538 1.00 0.00 C ATOM 1049 CG ASP A 70 1.427 12.677 1.038 1.00 0.00 C ATOM 1050 OD1 ASP A 70 2.248 12.473 1.948 1.00 0.00 O ATOM 1051 OD2 ASP A 70 1.292 13.802 0.529 1.00 0.00 O ATOM 0 H ASP A 70 -0.239 9.261 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 70 1.751 11.487 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.405 11.956 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.331 10.870 1.364 1.00 0.00 H new ATOM 1056 N ARG A 71 2.865 9.761 0.931 1.00 0.00 N ATOM 1057 CA ARG A 71 3.539 8.772 1.783 1.00 0.00 C ATOM 1058 C ARG A 71 3.552 7.325 1.390 1.00 0.00 C ATOM 1059 O ARG A 71 4.521 6.884 0.859 1.00 0.00 O ATOM 1060 CB ARG A 71 3.187 8.979 3.234 1.00 0.00 C ATOM 1061 CG ARG A 71 3.529 10.381 3.662 1.00 0.00 C ATOM 1062 CD ARG A 71 3.005 10.741 5.027 1.00 0.00 C ATOM 1063 NE ARG A 71 3.070 12.190 5.209 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.452 12.824 6.311 1.00 0.00 C ATOM 1065 NH1 ARG A 71 3.959 12.145 7.338 1.00 0.00 N ATOM 1066 NH2 ARG A 71 3.374 14.148 6.361 1.00 0.00 N ATOM 0 H ARG A 71 3.109 10.707 1.223 1.00 0.00 H new ATOM 0 HA ARG A 71 4.587 9.009 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.124 8.795 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.727 8.261 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.613 10.499 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.127 11.083 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.977 10.396 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.592 10.241 5.797 1.00 0.00 H new ATOM 0 HE ARG A 71 2.796 12.768 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.056 11.131 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.250 12.639 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.023 14.669 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.665 14.645 7.203 1.00 0.00 H new ATOM 1080 N LEU A 72 2.513 6.576 1.653 1.00 0.00 N ATOM 1081 CA LEU A 72 2.537 5.137 1.346 1.00 0.00 C ATOM 1082 C LEU A 72 2.995 4.864 -0.091 1.00 0.00 C ATOM 1083 O LEU A 72 3.705 3.918 -0.340 1.00 0.00 O ATOM 1084 CB LEU A 72 1.173 4.498 1.555 1.00 0.00 C ATOM 1085 CG LEU A 72 0.027 5.169 0.812 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.970 4.132 0.357 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.671 6.134 1.732 1.00 0.00 C ATOM 0 H LEU A 72 1.646 6.914 2.071 1.00 0.00 H new ATOM 0 HA LEU A 72 3.254 4.694 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.226 3.455 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.946 4.502 2.621 1.00 0.00 H new ATOM 0 HG LEU A 72 0.430 5.697 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.787 4.621 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.479 3.422 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.366 3.603 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.492 6.615 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.064 5.595 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.036 6.892 2.069 1.00 0.00 H new ATOM 1099 N CYS A 73 2.667 5.803 -0.965 1.00 0.00 N ATOM 1100 CA CYS A 73 2.984 5.485 -2.372 1.00 0.00 C ATOM 1101 C CYS A 73 4.472 5.486 -2.564 1.00 0.00 C ATOM 1102 O CYS A 73 5.077 4.492 -2.956 1.00 0.00 O ATOM 1103 CB CYS A 73 2.432 6.422 -3.442 1.00 0.00 C ATOM 1104 SG CYS A 73 0.701 6.797 -3.399 1.00 0.00 S ATOM 0 H CYS A 73 2.228 6.703 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 73 2.501 4.519 -2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 73 2.980 7.362 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.656 5.987 -4.416 1.00 0.00 H new ATOM 0 HG CYS A 73 0.350 7.089 -2.182 1.00 0.00 H new ATOM 1110 N GLU A 74 5.082 6.568 -2.189 1.00 0.00 N ATOM 1111 CA GLU A 74 6.487 6.737 -2.532 1.00 0.00 C ATOM 1112 C GLU A 74 7.372 6.655 -1.337 1.00 0.00 C ATOM 1113 O GLU A 74 8.466 6.093 -1.387 1.00 0.00 O ATOM 1114 CB GLU A 74 6.645 8.028 -3.330 1.00 0.00 C ATOM 1115 CG GLU A 74 8.045 8.592 -3.462 1.00 0.00 C ATOM 1116 CD GLU A 74 8.219 9.843 -2.630 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.432 10.796 -2.815 1.00 0.00 O ATOM 1118 OE2 GLU A 74 9.141 9.903 -1.786 1.00 0.00 O ATOM 0 H GLU A 74 4.659 7.332 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 74 6.814 5.910 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.254 7.856 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.016 8.789 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.772 7.842 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.250 8.818 -4.508 1.00 0.00 H new ATOM 1125 N ARG A 75 6.867 7.146 -0.255 1.00 0.00 N ATOM 1126 CA ARG A 75 7.615 7.140 0.955 1.00 0.00 C ATOM 1127 C ARG A 75 7.734 5.674 1.389 1.00 0.00 C ATOM 1128 O ARG A 75 8.658 5.305 2.057 1.00 0.00 O ATOM 1129 CB ARG A 75 6.883 8.007 1.993 1.00 0.00 C ATOM 1130 CG ARG A 75 7.410 8.021 3.416 1.00 0.00 C ATOM 1131 CD ARG A 75 7.041 6.751 4.175 1.00 0.00 C ATOM 1132 NE ARG A 75 8.016 6.405 5.219 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.780 6.172 6.515 1.00 0.00 C ATOM 1134 NH1 ARG A 75 6.661 6.577 7.109 1.00 0.00 N ATOM 1135 NH2 ARG A 75 8.719 5.581 7.235 1.00 0.00 N ATOM 0 H ARG A 75 5.936 7.558 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 75 8.614 7.560 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.883 9.034 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.844 7.680 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.494 8.131 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.009 8.887 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.059 6.878 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.961 5.923 3.471 1.00 0.00 H new ATOM 0 HE ARG A 75 8.989 6.334 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.953 7.081 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.511 6.384 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.602 5.313 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.560 5.394 8.225 1.00 0.00 H new ATOM 1149 N ALA A 76 6.826 4.814 0.996 1.00 0.00 N ATOM 1150 CA ALA A 76 7.039 3.455 1.376 1.00 0.00 C ATOM 1151 C ALA A 76 7.863 2.823 0.282 1.00 0.00 C ATOM 1152 O ALA A 76 9.047 2.617 0.437 1.00 0.00 O ATOM 1153 CB ALA A 76 5.723 2.736 1.600 1.00 0.00 C ATOM 0 H ALA A 76 5.989 5.017 0.450 1.00 0.00 H new ATOM 0 HA ALA A 76 7.569 3.388 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.917 1.703 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.166 3.235 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.138 2.752 0.680 1.00 0.00 H new ATOM 1159 N ILE A 77 7.265 2.814 -0.883 1.00 0.00 N ATOM 1160 CA ILE A 77 7.827 2.056 -1.993 1.00 0.00 C ATOM 1161 C ILE A 77 9.284 2.382 -2.321 1.00 0.00 C ATOM 1162 O ILE A 77 10.128 1.473 -2.473 1.00 0.00 O ATOM 1163 CB ILE A 77 6.884 1.940 -3.231 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.674 1.038 -2.918 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.607 1.323 -4.426 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.876 1.436 -1.709 1.00 0.00 C ATOM 0 H ILE A 77 6.401 3.313 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 77 7.884 1.036 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 77 6.560 2.953 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.012 1.031 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.029 0.017 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.922 1.257 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.459 1.947 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.957 0.325 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.048 0.740 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.516 1.413 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.484 2.444 -1.847 1.00 0.00 H new ATOM 1178 N ALA A 78 9.659 3.620 -2.177 1.00 0.00 N ATOM 1179 CA ALA A 78 10.957 4.069 -2.527 1.00 0.00 C ATOM 1180 C ALA A 78 11.757 4.219 -1.256 1.00 0.00 C ATOM 1181 O ALA A 78 12.897 3.780 -1.191 1.00 0.00 O ATOM 1182 CB ALA A 78 10.902 5.382 -3.298 1.00 0.00 C ATOM 0 H ALA A 78 9.053 4.352 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 78 11.433 3.342 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.914 5.698 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.326 5.243 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.426 6.146 -2.683 1.00 0.00 H new ATOM 1188 N ILE A 79 11.104 4.705 -0.194 1.00 0.00 N ATOM 1189 CA ILE A 79 11.812 5.087 1.011 1.00 0.00 C ATOM 1190 C ILE A 79 12.124 3.911 1.911 1.00 0.00 C ATOM 1191 O ILE A 79 13.166 3.920 2.644 1.00 0.00 O ATOM 1192 CB ILE A 79 11.151 6.262 1.717 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.009 7.412 0.726 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.894 6.702 2.980 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.312 7.995 0.211 1.00 0.00 C ATOM 0 H ILE A 79 10.094 4.839 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 79 12.791 5.454 0.701 1.00 0.00 H new ATOM 0 HB ILE A 79 10.167 5.941 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.425 7.064 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.437 8.209 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.371 7.543 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.933 5.873 3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.908 7.004 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.098 8.805 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.894 8.381 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.882 7.218 -0.299 1.00 0.00 H new ATOM 1207 N ASP A 80 11.661 2.760 1.492 1.00 0.00 N ATOM 1208 CA ASP A 80 11.822 1.523 2.112 1.00 0.00 C ATOM 1209 C ASP A 80 12.893 0.973 1.407 1.00 0.00 C ATOM 1210 O ASP A 80 13.993 1.113 1.903 1.00 0.00 O ATOM 1211 CB ASP A 80 10.602 0.557 2.051 1.00 0.00 C ATOM 1212 CG ASP A 80 9.360 0.981 2.841 1.00 0.00 C ATOM 1213 OD1 ASP A 80 9.487 1.659 3.884 1.00 0.00 O ATOM 1214 OD2 ASP A 80 8.249 0.612 2.448 1.00 0.00 O ATOM 0 H ASP A 80 11.119 2.688 0.631 1.00 0.00 H new ATOM 0 HA ASP A 80 11.964 1.660 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.317 0.432 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.921 -0.420 2.414 1.00 0.00 H new ATOM 1219 N LYS A 81 12.618 0.639 0.121 1.00 0.00 N ATOM 1220 CA LYS A 81 13.538 -0.129 -0.668 1.00 0.00 C ATOM 1221 C LYS A 81 14.983 0.193 -0.351 1.00 0.00 C ATOM 1222 O LYS A 81 15.648 -0.659 0.255 1.00 0.00 O ATOM 1223 CB LYS A 81 13.196 -0.152 -2.175 1.00 0.00 C ATOM 1224 CG LYS A 81 13.385 1.142 -2.951 1.00 0.00 C ATOM 1225 CD LYS A 81 12.963 0.946 -4.404 1.00 0.00 C ATOM 1226 CE LYS A 81 13.178 2.192 -5.252 1.00 0.00 C ATOM 1227 NZ LYS A 81 12.777 1.967 -6.664 1.00 0.00 N ATOM 0 H LYS A 81 11.761 0.902 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 81 13.408 -1.167 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.806 -0.922 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.156 -0.460 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.795 1.938 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.429 1.454 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.527 0.118 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.910 0.666 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.602 3.019 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.228 2.483 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.937 2.836 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.344 1.194 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.769 1.714 -6.702 1.00 0.00 H new ATOM 1241 N LYS A 82 15.335 1.508 -0.326 1.00 0.00 N ATOM 1242 CA LYS A 82 16.736 1.832 -0.293 1.00 0.00 C ATOM 1243 C LYS A 82 17.280 1.574 1.118 1.00 0.00 C ATOM 1244 O LYS A 82 18.118 0.659 1.330 1.00 0.00 O ATOM 1245 CB LYS A 82 17.085 3.256 -0.762 1.00 0.00 C ATOM 1246 CG LYS A 82 16.933 4.367 0.272 1.00 0.00 C ATOM 1247 CD LYS A 82 15.539 4.934 0.355 1.00 0.00 C ATOM 1248 CE LYS A 82 15.144 5.585 -0.955 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.082 6.657 -1.385 1.00 0.00 N ATOM 0 H LYS A 82 14.691 2.299 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 82 17.218 1.179 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.116 3.256 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.455 3.498 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.217 3.981 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.629 5.171 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.833 4.141 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.487 5.666 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.094 4.822 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.143 6.005 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.658 7.196 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.269 7.295 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.975 6.230 -1.704 1.00 0.00 H new ATOM 1263 N ALA A 83 16.617 2.026 2.162 1.00 0.00 N ATOM 1264 CA ALA A 83 17.352 2.036 3.385 1.00 0.00 C ATOM 1265 C ALA A 83 16.478 1.664 4.432 1.00 0.00 C ATOM 1266 O ALA A 83 16.874 1.027 5.321 1.00 0.00 O ATOM 1267 CB ALA A 83 17.973 3.388 3.678 1.00 0.00 C ATOM 0 H ALA A 83 15.654 2.362 2.187 1.00 0.00 H new ATOM 0 HA ALA A 83 18.176 1.328 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.521 3.341 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.657 3.656 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.188 4.141 3.752 1.00 0.00 H new ATOM 1273 N LYS A 84 15.295 2.136 4.342 1.00 0.00 N ATOM 1274 CA LYS A 84 14.345 1.648 5.248 1.00 0.00 C ATOM 1275 C LYS A 84 14.163 0.117 5.077 1.00 0.00 C ATOM 1276 O LYS A 84 13.981 -0.574 6.081 1.00 0.00 O ATOM 1277 CB LYS A 84 13.106 2.534 5.240 1.00 0.00 C ATOM 1278 CG LYS A 84 11.786 1.921 5.575 1.00 0.00 C ATOM 1279 CD LYS A 84 11.644 1.367 6.951 1.00 0.00 C ATOM 1280 CE LYS A 84 10.208 0.929 7.104 1.00 0.00 C ATOM 1281 NZ LYS A 84 9.771 0.049 5.990 1.00 0.00 N ATOM 0 H LYS A 84 14.972 2.836 3.673 1.00 0.00 H new ATOM 0 HA LYS A 84 14.687 1.725 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.279 3.351 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.023 2.977 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.012 2.674 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.590 1.120 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.322 0.526 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.900 2.119 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.089 0.401 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.564 1.807 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.162 -0.707 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.240 0.609 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.605 -0.372 5.532 1.00 0.00 H new ATOM 1295 N ALA A 85 14.360 -0.453 3.849 1.00 0.00 N ATOM 1296 CA ALA A 85 14.254 -1.874 3.754 1.00 0.00 C ATOM 1297 C ALA A 85 15.533 -2.545 4.209 1.00 0.00 C ATOM 1298 O ALA A 85 15.497 -3.645 4.797 1.00 0.00 O ATOM 1299 CB ALA A 85 13.867 -2.295 2.364 1.00 0.00 C ATOM 0 H ALA A 85 14.578 0.043 2.985 1.00 0.00 H new ATOM 0 HA ALA A 85 13.459 -2.201 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.793 -3.382 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.904 -1.855 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.623 -1.954 1.657 1.00 0.00 H new ATOM 1305 N ASN A 86 16.683 -1.896 3.985 1.00 0.00 N ATOM 1306 CA ASN A 86 17.909 -2.447 4.543 1.00 0.00 C ATOM 1307 C ASN A 86 18.154 -2.070 5.996 1.00 0.00 C ATOM 1308 O ASN A 86 19.042 -2.628 6.635 1.00 0.00 O ATOM 1309 CB ASN A 86 19.098 -2.071 3.701 1.00 0.00 C ATOM 1310 CG ASN A 86 19.391 -3.092 2.620 1.00 0.00 C ATOM 1311 OD1 ASN A 86 20.253 -3.945 2.799 1.00 0.00 O ATOM 1312 ND2 ASN A 86 18.642 -3.075 1.527 1.00 0.00 N ATOM 0 H ASN A 86 16.784 -1.034 3.449 1.00 0.00 H new ATOM 0 HA ASN A 86 17.775 -3.529 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.920 -1.100 3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.973 -1.964 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.775 -3.785 0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.932 -2.352 1.406 1.00 0.00 H new ATOM 1319 N GLN A 87 17.395 -1.129 6.533 1.00 0.00 N ATOM 1320 CA GLN A 87 17.582 -0.719 7.905 1.00 0.00 C ATOM 1321 C GLN A 87 16.902 -1.708 8.788 1.00 0.00 C ATOM 1322 O GLN A 87 17.316 -1.904 9.930 1.00 0.00 O ATOM 1323 CB GLN A 87 17.088 0.735 8.188 1.00 0.00 C ATOM 1324 CG GLN A 87 15.590 0.939 8.392 1.00 0.00 C ATOM 1325 CD GLN A 87 15.150 1.003 9.850 1.00 0.00 C ATOM 1326 OE1 GLN A 87 15.092 2.077 10.440 1.00 0.00 O ATOM 1327 NE2 GLN A 87 14.852 -0.125 10.446 1.00 0.00 N ATOM 0 H GLN A 87 16.649 -0.640 6.039 1.00 0.00 H new ATOM 0 HA GLN A 87 18.652 -0.699 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 87 17.602 1.098 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.404 1.366 7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.292 1.862 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.056 0.126 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.909 -1.004 9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.563 -0.124 11.424 1.00 0.00 H new ATOM 1336 N LEU A 88 15.819 -2.335 8.295 1.00 0.00 N ATOM 1337 CA LEU A 88 15.084 -3.365 8.968 1.00 0.00 C ATOM 1338 C LEU A 88 16.003 -4.553 9.088 1.00 0.00 C ATOM 1339 O LEU A 88 16.655 -4.772 10.116 1.00 0.00 O ATOM 1340 CB LEU A 88 13.823 -3.795 8.150 1.00 0.00 C ATOM 1341 CG LEU A 88 12.671 -2.808 7.959 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.425 -3.573 7.566 1.00 0.00 C ATOM 1343 CD2 LEU A 88 12.410 -1.965 9.195 1.00 0.00 C ATOM 0 H LEU A 88 15.434 -2.112 7.377 1.00 0.00 H new ATOM 0 HA LEU A 88 14.748 -2.999 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.164 -4.093 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.413 -4.685 8.627 1.00 0.00 H new ATOM 0 HG LEU A 88 12.952 -2.114 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.598 -2.876 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.606 -4.110 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.172 -4.285 8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.582 -1.283 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.156 -2.615 10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.304 -1.391 9.439 1.00 0.00 H new ATOM 1355 N GLN A 89 16.080 -5.293 8.018 1.00 0.00 N ATOM 1356 CA GLN A 89 16.887 -6.424 7.872 1.00 0.00 C ATOM 1357 C GLN A 89 18.098 -6.001 7.110 1.00 0.00 C ATOM 1358 O GLN A 89 17.994 -5.459 6.009 1.00 0.00 O ATOM 1359 CB GLN A 89 16.168 -7.507 7.076 1.00 0.00 C ATOM 1360 CG GLN A 89 15.017 -7.021 6.184 1.00 0.00 C ATOM 1361 CD GLN A 89 14.980 -7.738 4.854 1.00 0.00 C ATOM 1362 OE1 GLN A 89 13.911 -7.998 4.284 1.00 0.00 O ATOM 1363 NE2 GLN A 89 16.146 -7.929 4.280 1.00 0.00 N ATOM 0 H GLN A 89 15.535 -5.090 7.180 1.00 0.00 H new ATOM 0 HA GLN A 89 17.138 -6.828 8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.899 -8.018 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.775 -8.246 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.070 -7.172 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.120 -5.949 6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.005 -7.703 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.193 -8.304 3.332 1.00 0.00 H new ATOM 1372 N GLU A 90 19.216 -6.386 7.617 1.00 0.00 N ATOM 1373 CA GLU A 90 20.515 -6.035 7.088 1.00 0.00 C ATOM 1374 C GLU A 90 20.827 -6.916 5.873 1.00 0.00 C ATOM 1375 O GLU A 90 21.885 -6.826 5.258 1.00 0.00 O ATOM 1376 CB GLU A 90 21.561 -6.303 8.170 1.00 0.00 C ATOM 1377 CG GLU A 90 21.574 -7.761 8.631 1.00 0.00 C ATOM 1378 CD GLU A 90 20.560 -8.129 9.693 1.00 0.00 C ATOM 1379 OE1 GLU A 90 19.387 -8.379 9.353 1.00 0.00 O ATOM 1380 OE2 GLU A 90 20.933 -8.231 10.870 1.00 0.00 O ATOM 0 H GLU A 90 19.268 -6.979 8.446 1.00 0.00 H new ATOM 0 HA GLU A 90 20.526 -4.986 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 90 22.547 -6.038 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 21.366 -5.657 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.408 -8.398 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 90 22.569 -7.993 9.011 1.00 0.00 H new ATOM 1387 N GLN A 91 19.858 -7.733 5.522 1.00 0.00 N ATOM 1388 CA GLN A 91 19.997 -8.712 4.475 1.00 0.00 C ATOM 1389 C GLN A 91 19.463 -8.191 3.164 1.00 0.00 C ATOM 1390 O GLN A 91 19.426 -8.916 2.173 1.00 0.00 O ATOM 1391 CB GLN A 91 19.295 -10.002 4.844 1.00 0.00 C ATOM 1392 CG GLN A 91 19.804 -10.644 6.128 1.00 0.00 C ATOM 1393 CD GLN A 91 21.306 -10.882 6.130 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.924 -11.103 5.095 1.00 0.00 O ATOM 1395 NE2 GLN A 91 21.896 -10.840 7.298 1.00 0.00 N ATOM 0 H GLN A 91 18.939 -7.733 5.965 1.00 0.00 H new ATOM 0 HA GLN A 91 21.062 -8.914 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.228 -9.805 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.410 -10.712 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 91 19.544 -10.006 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.293 -11.595 6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.350 -10.653 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.902 -10.994 7.367 1.00 0.00 H new ATOM 1404 N GLY A 92 19.035 -6.942 3.152 1.00 0.00 N ATOM 1405 CA GLY A 92 18.657 -6.386 1.892 1.00 0.00 C ATOM 1406 C GLY A 92 17.287 -6.738 1.355 1.00 0.00 C ATOM 1407 O GLY A 92 17.232 -7.499 0.396 1.00 0.00 O ATOM 0 H GLY A 92 18.947 -6.329 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 92 18.718 -5.301 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 92 19.397 -6.694 1.153 1.00 0.00 H new ATOM 1411 N MET A 93 16.171 -6.201 1.949 1.00 0.00 N ATOM 1412 CA MET A 93 14.805 -6.294 1.374 1.00 0.00 C ATOM 1413 C MET A 93 14.502 -7.641 0.756 1.00 0.00 C ATOM 1414 O MET A 93 14.201 -7.764 -0.423 1.00 0.00 O ATOM 1415 CB MET A 93 14.399 -5.104 0.513 1.00 0.00 C ATOM 1416 CG MET A 93 15.223 -4.862 -0.742 1.00 0.00 C ATOM 1417 SD MET A 93 14.660 -3.402 -1.635 1.00 0.00 S ATOM 1418 CE MET A 93 15.804 -3.398 -3.004 1.00 0.00 C ATOM 0 H MET A 93 16.204 -5.696 2.835 1.00 0.00 H new ATOM 0 HA MET A 93 14.140 -6.225 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 93 13.358 -5.236 0.218 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.444 -4.206 1.129 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.272 -4.741 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.160 -5.734 -1.393 1.00 0.00 H new ATOM 0 HE1 MET A 93 15.589 -2.551 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 93 16.823 -3.316 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 93 15.700 -4.325 -3.568 1.00 0.00 H new ATOM 1428 N GLU A 94 14.569 -8.653 1.590 1.00 0.00 N ATOM 1429 CA GLU A 94 14.569 -9.993 1.088 1.00 0.00 C ATOM 1430 C GLU A 94 13.287 -10.731 1.405 1.00 0.00 C ATOM 1431 O GLU A 94 13.109 -11.850 0.925 1.00 0.00 O ATOM 1432 CB GLU A 94 15.788 -10.765 1.606 1.00 0.00 C ATOM 1433 CG GLU A 94 15.768 -11.058 3.101 1.00 0.00 C ATOM 1434 CD GLU A 94 16.595 -12.268 3.468 1.00 0.00 C ATOM 1435 OE1 GLU A 94 16.482 -13.308 2.784 1.00 0.00 O ATOM 1436 OE2 GLU A 94 17.323 -12.223 4.466 1.00 0.00 O ATOM 0 H GLU A 94 14.623 -8.569 2.605 1.00 0.00 H new ATOM 0 HA GLU A 94 14.632 -9.927 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.860 -11.709 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.688 -10.195 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.142 -10.189 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.739 -11.215 3.423 1.00 0.00 H new ATOM 1443 N THR A 95 12.359 -10.069 2.142 1.00 0.00 N ATOM 1444 CA THR A 95 11.077 -10.690 2.555 1.00 0.00 C ATOM 1445 C THR A 95 10.412 -9.942 3.712 1.00 0.00 C ATOM 1446 O THR A 95 9.263 -9.536 3.605 1.00 0.00 O ATOM 1447 CB THR A 95 11.180 -12.209 2.887 1.00 0.00 C ATOM 1448 OG1 THR A 95 9.895 -12.760 3.209 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.190 -12.508 4.000 1.00 0.00 C ATOM 0 H THR A 95 12.476 -9.107 2.461 1.00 0.00 H new ATOM 0 HA THR A 95 10.443 -10.604 1.672 1.00 0.00 H new ATOM 0 HB THR A 95 11.551 -12.693 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.591 -13.332 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.218 -13.581 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.179 -12.167 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.892 -11.989 4.911 1.00 0.00 H new ATOM 1457 N SER A 96 11.167 -9.674 4.757 1.00 0.00 N ATOM 1458 CA SER A 96 10.633 -9.127 5.995 1.00 0.00 C ATOM 1459 C SER A 96 9.966 -7.772 5.771 1.00 0.00 C ATOM 1460 O SER A 96 8.810 -7.590 6.139 1.00 0.00 O ATOM 1461 CB SER A 96 11.764 -9.065 7.007 1.00 0.00 C ATOM 1462 OG SER A 96 11.356 -8.591 8.276 1.00 0.00 O ATOM 0 H SER A 96 12.175 -9.829 4.775 1.00 0.00 H new ATOM 0 HA SER A 96 9.845 -9.772 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.195 -10.060 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.552 -8.418 6.621 1.00 0.00 H new ATOM 0 HG SER A 96 12.126 -8.576 8.882 1.00 0.00 H new ATOM 1468 N GLU A 97 10.686 -6.873 5.105 1.00 0.00 N ATOM 1469 CA GLU A 97 10.162 -5.548 4.775 1.00 0.00 C ATOM 1470 C GLU A 97 8.877 -5.673 3.970 1.00 0.00 C ATOM 1471 O GLU A 97 7.821 -5.187 4.346 1.00 0.00 O ATOM 1472 CB GLU A 97 11.199 -4.807 3.928 1.00 0.00 C ATOM 1473 CG GLU A 97 10.724 -3.459 3.410 1.00 0.00 C ATOM 1474 CD GLU A 97 10.466 -2.479 4.521 1.00 0.00 C ATOM 1475 OE1 GLU A 97 9.376 -2.492 5.115 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.366 -1.685 4.841 1.00 0.00 O ATOM 0 H GLU A 97 11.639 -7.038 4.781 1.00 0.00 H new ATOM 0 HA GLU A 97 9.956 -5.005 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.100 -4.659 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.476 -5.434 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.473 -3.048 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.811 -3.596 2.830 1.00 0.00 H new ATOM 1483 N MET A 98 8.986 -6.412 2.898 1.00 0.00 N ATOM 1484 CA MET A 98 7.904 -6.542 1.960 1.00 0.00 C ATOM 1485 C MET A 98 6.655 -7.168 2.569 1.00 0.00 C ATOM 1486 O MET A 98 5.608 -6.601 2.472 1.00 0.00 O ATOM 1487 CB MET A 98 8.343 -7.153 0.616 1.00 0.00 C ATOM 1488 CG MET A 98 8.989 -8.507 0.646 1.00 0.00 C ATOM 1489 SD MET A 98 9.566 -8.950 -0.996 1.00 0.00 S ATOM 1490 CE MET A 98 10.450 -10.450 -0.654 1.00 0.00 C ATOM 0 H MET A 98 9.824 -6.939 2.651 1.00 0.00 H new ATOM 0 HA MET A 98 7.596 -5.528 1.706 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.466 -7.214 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.038 -6.460 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.825 -8.505 1.346 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.277 -9.251 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.220 -10.599 -1.411 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.916 -10.382 0.329 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.758 -11.292 -0.670 1.00 0.00 H new ATOM 1500 N LEU A 99 6.786 -8.262 3.294 1.00 0.00 N ATOM 1501 CA LEU A 99 5.617 -8.919 3.911 1.00 0.00 C ATOM 1502 C LEU A 99 4.996 -8.044 5.021 1.00 0.00 C ATOM 1503 O LEU A 99 3.787 -8.158 5.356 1.00 0.00 O ATOM 1504 CB LEU A 99 6.004 -10.310 4.437 1.00 0.00 C ATOM 1505 CG LEU A 99 6.090 -11.476 3.415 1.00 0.00 C ATOM 1506 CD1 LEU A 99 6.918 -11.135 2.171 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.687 -12.688 4.099 1.00 0.00 C ATOM 0 H LEU A 99 7.677 -8.723 3.478 1.00 0.00 H new ATOM 0 HA LEU A 99 4.853 -9.046 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.973 -10.224 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.282 -10.590 5.204 1.00 0.00 H new ATOM 0 HG LEU A 99 5.075 -11.676 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.936 -11.994 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.471 -10.283 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.936 -10.885 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.751 -13.512 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.685 -12.445 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.055 -12.981 4.938 1.00 0.00 H new ATOM 1519 N ALA A 100 5.836 -7.185 5.593 1.00 0.00 N ATOM 1520 CA ALA A 100 5.385 -6.212 6.576 1.00 0.00 C ATOM 1521 C ALA A 100 4.319 -5.305 5.975 1.00 0.00 C ATOM 1522 O ALA A 100 3.397 -4.900 6.673 1.00 0.00 O ATOM 1523 CB ALA A 100 6.542 -5.401 7.145 1.00 0.00 C ATOM 0 H ALA A 100 6.835 -7.146 5.390 1.00 0.00 H new ATOM 0 HA ALA A 100 4.943 -6.760 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.161 -4.687 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.252 -6.071 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.041 -4.864 6.338 1.00 0.00 H new ATOM 1529 N LEU A 101 4.409 -5.053 4.656 1.00 0.00 N ATOM 1530 CA LEU A 101 3.426 -4.254 3.915 1.00 0.00 C ATOM 1531 C LEU A 101 2.044 -4.749 4.160 1.00 0.00 C ATOM 1532 O LEU A 101 1.129 -3.959 4.318 1.00 0.00 O ATOM 1533 CB LEU A 101 3.634 -4.286 2.410 1.00 0.00 C ATOM 1534 CG LEU A 101 4.684 -3.332 1.785 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.127 -1.925 1.683 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.970 -3.287 2.598 1.00 0.00 C ATOM 0 H LEU A 101 5.171 -5.402 4.075 1.00 0.00 H new ATOM 0 HA LEU A 101 3.564 -3.236 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.908 -5.305 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.674 -4.076 1.939 1.00 0.00 H new ATOM 0 HG LEU A 101 4.912 -3.722 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.877 -1.268 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.236 -1.931 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.868 -1.563 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.677 -2.606 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.751 -2.937 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.405 -4.285 2.647 1.00 0.00 H new ATOM 1548 N LEU A 102 1.870 -6.046 4.210 1.00 0.00 N ATOM 1549 CA LEU A 102 0.588 -6.620 4.397 1.00 0.00 C ATOM 1550 C LEU A 102 -0.009 -6.294 5.762 1.00 0.00 C ATOM 1551 O LEU A 102 -1.149 -5.836 5.827 1.00 0.00 O ATOM 1552 CB LEU A 102 0.604 -8.116 4.171 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.731 -8.784 4.440 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.775 -8.335 3.424 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.602 -10.295 4.491 1.00 0.00 C ATOM 0 H LEU A 102 2.626 -6.725 4.120 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.055 -6.166 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.900 -8.317 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.361 -8.564 4.814 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.072 -8.467 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.724 -8.827 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.904 -7.255 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.444 -8.602 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.579 -10.737 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.222 -10.660 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.088 -10.575 5.287 1.00 0.00 H new ATOM 1567 N HIS A 103 0.730 -6.533 6.853 1.00 0.00 N ATOM 1568 CA HIS A 103 0.139 -6.248 8.171 1.00 0.00 C ATOM 1569 C HIS A 103 -0.176 -4.744 8.272 1.00 0.00 C ATOM 1570 O HIS A 103 -1.186 -4.339 8.839 1.00 0.00 O ATOM 1571 CB HIS A 103 1.021 -6.732 9.372 1.00 0.00 C ATOM 1572 CG HIS A 103 2.106 -5.783 9.826 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.395 -5.861 9.363 1.00 0.00 N ATOM 1574 CD2 HIS A 103 2.005 -4.725 10.665 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.033 -4.835 9.912 1.00 0.00 C ATOM 1576 NE2 HIS A 103 3.231 -4.131 10.708 1.00 0.00 N ATOM 0 H HIS A 103 1.681 -6.901 6.859 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.783 -6.824 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.366 -6.934 10.219 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.486 -7.678 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.120 -4.411 11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.072 -4.601 9.735 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.486 -3.304 11.248 1.00 0.00 H new ATOM 1584 N ILE A 104 0.661 -3.951 7.618 1.00 0.00 N ATOM 1585 CA ILE A 104 0.501 -2.497 7.687 1.00 0.00 C ATOM 1586 C ILE A 104 -0.630 -2.021 6.780 1.00 0.00 C ATOM 1587 O ILE A 104 -1.365 -1.109 7.120 1.00 0.00 O ATOM 1588 CB ILE A 104 1.853 -1.688 7.503 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.682 -0.154 7.506 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.612 -2.095 6.268 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.328 0.427 6.139 1.00 0.00 C ATOM 0 H ILE A 104 1.441 -4.274 7.046 1.00 0.00 H new ATOM 0 HA ILE A 104 0.203 -2.266 8.710 1.00 0.00 H new ATOM 0 HB ILE A 104 2.431 -1.957 8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.902 0.114 8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.606 0.305 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.528 -1.509 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.863 -3.154 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.995 -1.918 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.224 1.509 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.119 0.190 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.388 -0.003 5.793 1.00 0.00 H new ATOM 1603 N THR A 105 -0.819 -2.704 5.690 1.00 0.00 N ATOM 1604 CA THR A 105 -1.863 -2.304 4.774 1.00 0.00 C ATOM 1605 C THR A 105 -3.222 -2.837 5.230 1.00 0.00 C ATOM 1606 O THR A 105 -4.222 -2.158 5.118 1.00 0.00 O ATOM 1607 CB THR A 105 -1.555 -2.716 3.303 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.427 -2.033 2.395 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.737 -4.206 3.107 1.00 0.00 C ATOM 0 H THR A 105 -0.281 -3.524 5.411 1.00 0.00 H new ATOM 0 HA THR A 105 -1.901 -1.215 4.789 1.00 0.00 H new ATOM 0 HB THR A 105 -0.519 -2.444 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.219 -2.302 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.516 -4.467 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.060 -4.745 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.766 -4.480 3.338 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.256 -4.022 5.809 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.533 -4.589 6.170 1.00 0.00 C ATOM 1619 C ARG A 106 -5.060 -3.956 7.453 1.00 0.00 C ATOM 1620 O ARG A 106 -6.165 -3.434 7.481 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.480 -6.132 6.262 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.728 -6.693 7.465 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.653 -8.211 7.454 1.00 0.00 C ATOM 1624 NE ARG A 106 -3.241 -8.728 8.764 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.386 -9.733 9.000 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -1.656 -10.257 8.019 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -2.249 -10.197 10.237 1.00 0.00 N ATOM 0 H ARG A 106 -2.440 -4.592 6.032 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.237 -4.356 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.501 -6.512 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.016 -6.517 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.718 -6.284 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.219 -6.364 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.625 -8.624 7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.946 -8.538 6.692 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.648 -8.275 9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.742 -9.894 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.010 -11.021 8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.792 -9.789 10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.601 -10.962 10.426 1.00 0.00 H new ATOM 1641 N ASP A 107 -4.210 -3.863 8.463 1.00 0.00 N ATOM 1642 CA ASP A 107 -4.630 -3.465 9.801 1.00 0.00 C ATOM 1643 C ASP A 107 -4.917 -1.972 9.868 1.00 0.00 C ATOM 1644 O ASP A 107 -5.980 -1.534 10.345 1.00 0.00 O ATOM 1645 CB ASP A 107 -3.532 -3.840 10.794 1.00 0.00 C ATOM 1646 CG ASP A 107 -4.033 -3.947 12.213 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -4.301 -2.923 12.858 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -4.167 -5.086 12.711 1.00 0.00 O ATOM 0 H ASP A 107 -3.213 -4.060 8.381 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.553 -3.987 10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.091 -4.792 10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.739 -3.093 10.750 1.00 0.00 H new ATOM 1653 N ALA A 108 -3.993 -1.202 9.324 1.00 0.00 N ATOM 1654 CA ALA A 108 -4.117 0.238 9.334 1.00 0.00 C ATOM 1655 C ALA A 108 -5.362 0.662 8.600 1.00 0.00 C ATOM 1656 O ALA A 108 -6.144 1.421 9.112 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.909 0.887 8.712 1.00 0.00 C ATOM 0 H ALA A 108 -3.149 -1.553 8.870 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.187 0.563 10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.027 1.970 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.017 0.609 9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.807 0.552 7.680 1.00 0.00 H new ATOM 1663 N TYR A 109 -5.633 0.000 7.502 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.756 0.406 6.648 1.00 0.00 C ATOM 1665 C TYR A 109 -8.087 0.124 7.338 1.00 0.00 C ATOM 1666 O TYR A 109 -9.110 0.732 7.079 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.618 -0.197 5.236 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.492 0.443 4.421 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -4.366 0.976 5.039 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.558 0.507 3.042 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -3.350 1.543 4.314 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.539 1.073 2.305 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.439 1.587 2.949 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.429 2.154 2.227 1.00 0.00 O ATOM 0 H TYR A 109 -5.110 -0.811 7.170 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.733 1.485 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.435 -1.268 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.560 -0.076 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.290 0.942 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.422 0.107 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.486 1.952 4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.605 1.112 1.228 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.522 1.905 1.284 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.980 -0.756 8.266 1.00 0.00 N ATOM 1685 CA ARG A 110 -9.151 -1.033 9.082 1.00 0.00 C ATOM 1686 C ARG A 110 -9.479 0.082 10.075 1.00 0.00 C ATOM 1687 O ARG A 110 -10.546 0.089 10.680 1.00 0.00 O ATOM 1688 CB ARG A 110 -9.071 -2.387 9.693 1.00 0.00 C ATOM 1689 CG ARG A 110 -9.275 -3.386 8.615 1.00 0.00 C ATOM 1690 CD ARG A 110 -8.489 -4.603 8.854 1.00 0.00 C ATOM 1691 NE ARG A 110 -8.799 -5.612 7.844 1.00 0.00 N ATOM 1692 CZ ARG A 110 -8.311 -6.867 7.811 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -7.543 -7.324 8.804 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -8.612 -7.668 6.799 1.00 0.00 N ATOM 0 H ARG A 110 -7.139 -1.289 8.490 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.013 -1.046 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.102 -2.533 10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.829 -2.501 10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -10.333 -3.642 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.992 -2.951 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.425 -4.368 8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.705 -4.995 9.848 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.441 -5.343 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.321 -6.721 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.178 -8.276 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.213 -7.334 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.243 -8.618 6.774 1.00 0.00 H new ATOM 1708 N SER A 111 -8.575 1.033 10.233 1.00 0.00 N ATOM 1709 CA SER A 111 -8.874 2.201 11.057 1.00 0.00 C ATOM 1710 C SER A 111 -9.306 3.485 10.276 1.00 0.00 C ATOM 1711 O SER A 111 -9.744 4.456 10.905 1.00 0.00 O ATOM 1712 CB SER A 111 -7.762 2.476 12.095 1.00 0.00 C ATOM 1713 OG SER A 111 -6.456 2.440 11.531 1.00 0.00 O ATOM 0 H SER A 111 -7.645 1.026 9.813 1.00 0.00 H new ATOM 0 HA SER A 111 -9.776 1.924 11.603 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.929 3.453 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.828 1.738 12.894 1.00 0.00 H new ATOM 0 HG SER A 111 -6.523 2.395 10.554 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.208 3.513 8.925 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.572 4.723 8.167 1.00 0.00 C ATOM 1721 C TRP A 112 -10.010 4.434 6.722 1.00 0.00 C ATOM 1722 O TRP A 112 -10.324 5.341 5.968 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.383 5.708 8.168 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.047 5.068 8.454 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.452 3.999 7.808 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.144 5.463 9.482 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.228 3.768 8.360 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.024 4.627 9.396 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.174 6.452 10.470 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.949 4.735 10.252 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.101 6.560 11.330 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.001 5.706 11.216 1.00 0.00 C ATOM 0 H TRP A 112 -8.888 2.731 8.354 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.435 5.161 8.668 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.335 6.203 7.198 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.568 6.482 8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.888 3.437 6.995 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.565 3.059 8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.020 7.118 10.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.097 4.078 10.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.111 7.315 12.102 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.174 5.814 11.903 1.00 0.00 H new ATOM 1743 N THR A 113 -10.108 3.178 6.364 1.00 0.00 N ATOM 1744 CA THR A 113 -10.345 2.803 4.977 1.00 0.00 C ATOM 1745 C THR A 113 -11.501 1.787 4.897 1.00 0.00 C ATOM 1746 O THR A 113 -12.591 2.104 4.410 1.00 0.00 O ATOM 1747 CB THR A 113 -9.055 2.172 4.410 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.916 2.962 4.790 1.00 0.00 O ATOM 1749 CG2 THR A 113 -9.090 2.094 2.906 1.00 0.00 C ATOM 0 H THR A 113 -10.028 2.391 7.008 1.00 0.00 H new ATOM 0 HA THR A 113 -10.615 3.685 4.397 1.00 0.00 H new ATOM 0 HB THR A 113 -8.981 1.164 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.182 3.902 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.166 1.645 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.937 1.484 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.193 3.097 2.492 1.00 0.00 H new ATOM 1757 N ASN A 114 -11.252 0.591 5.425 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.186 -0.539 5.458 1.00 0.00 C ATOM 1759 C ASN A 114 -11.597 -1.638 6.303 1.00 0.00 C ATOM 1760 O ASN A 114 -10.794 -2.433 5.813 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.687 -1.061 4.066 1.00 0.00 C ATOM 1762 CG ASN A 114 -11.614 -1.563 3.099 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -11.835 -2.494 2.321 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -10.477 -0.922 3.098 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.926 -1.669 7.504 1.00 0.00 O ATOM 0 H ASN A 114 -10.357 0.370 5.861 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.103 -0.161 5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.395 -1.871 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.237 -0.256 3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.743 -1.187 2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.323 -0.156 3.753 1.00 0.00 H new