USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 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 42 MET CE :methyl 170:sc= -0.939 (180deg=-1.13) USER MOD Set 1.2: A 78 TYR OH : rot 40:sc= 0.624 USER MOD Set 2.1: A 36 SER OG : rot 141:sc= 0.318 USER MOD Set 2.2: A 44 THR OG1 : rot -163:sc= 0.607 USER MOD Set 3.1: A 32 HIS : no HD1:sc= -0.0177 X(o=-3.1,f=-3.1) USER MOD Set 3.2: A 35 ASN : amide:sc= -3.11! C(o=-3.1!,f=-2.3!) USER MOD Set 4.1: A 21 HIS : no HE2:sc= 0.683 K(o=1.4,f=-4.6!) USER MOD Set 4.2: A 89 GLN : amide:sc= 0.672 K(o=1.4,f=-1.5) USER MOD Single : A 2 THR OG1 : rot -28:sc= 0.322 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0.12 K(o=0.12,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= -3.89! K(o=-3.9!,f=-1.6) USER MOD Single : A 12 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.1) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 23 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.7!) USER MOD Single : A 26 ASN : amide:sc= -0.0724 K(o=-0.072,f=-0.67) USER MOD Single : A 30 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.75) USER MOD Single : A 33 GLN : amide:sc= -0.735 K(o=-0.73,f=-2.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 45 MET CE :methyl 152:sc= -2.57 (180deg=-3.72!) USER MOD Single : A 52 GLN : amide:sc= -1.71! K(o=-1.7!,f=0.11) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.26) USER MOD Single : A 65 ASN : amide:sc= 1.15 K(o=1.1,f=-0.068) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.571 K(o=0.57,f=-0.17) USER MOD Single : A 79 TYR OH : rot -134:sc= 0.393 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.575 (180deg=-1.26) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.895 USER MOD Single : A 87 HIS : no HE2:sc= 0.675 K(o=0.68,f=-5.7!) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -17.494 -1.151 6.813 1.00 0.00 N ATOM 21 CA THR A 2 -16.867 -1.312 5.508 1.00 0.00 C ATOM 22 C THR A 2 -15.357 -1.090 5.587 1.00 0.00 C ATOM 23 O THR A 2 -14.886 -0.099 6.152 1.00 0.00 O ATOM 24 CB THR A 2 -17.488 -0.354 4.475 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.710 0.937 5.064 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.803 -0.907 3.953 1.00 0.00 C ATOM 0 HA THR A 2 -17.047 -2.337 5.185 1.00 0.00 H new ATOM 0 HB THR A 2 -16.791 -0.255 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.861 0.836 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.225 -0.215 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.629 -1.872 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.500 -1.031 4.782 1.00 0.00 H new ATOM 34 N THR A 3 -14.603 -2.022 5.025 1.00 0.00 N ATOM 35 CA THR A 3 -13.152 -1.974 5.082 1.00 0.00 C ATOM 36 C THR A 3 -12.569 -1.329 3.824 1.00 0.00 C ATOM 37 O THR A 3 -11.541 -0.652 3.889 1.00 0.00 O ATOM 38 CB THR A 3 -12.570 -3.391 5.249 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.176 -4.037 6.379 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.061 -3.347 5.430 1.00 0.00 C ATOM 0 H THR A 3 -14.976 -2.826 4.521 1.00 0.00 H new ATOM 0 HA THR A 3 -12.878 -1.366 5.944 1.00 0.00 H new ATOM 0 HB THR A 3 -12.789 -3.957 4.343 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.804 -4.938 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.679 -4.361 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.603 -2.884 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.818 -2.764 6.319 1.00 0.00 H new ATOM 48 N HIS A 4 -13.236 -1.529 2.683 1.00 0.00 N ATOM 49 CA HIS A 4 -12.746 -1.024 1.398 1.00 0.00 C ATOM 50 C HIS A 4 -12.402 0.463 1.464 1.00 0.00 C ATOM 51 O HIS A 4 -11.307 0.869 1.076 1.00 0.00 O ATOM 52 CB HIS A 4 -13.775 -1.251 0.286 1.00 0.00 C ATOM 53 CG HIS A 4 -13.934 -2.683 -0.130 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.153 -3.318 -0.181 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.022 -3.594 -0.545 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.987 -4.556 -0.606 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.701 -4.751 -0.837 1.00 0.00 N ATOM 0 H HIS A 4 -14.118 -2.038 2.624 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.838 -1.583 1.172 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.741 -0.873 0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.486 -0.663 -0.585 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.957 -3.439 -0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.770 -5.287 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.282 -5.617 -1.176 1.00 0.00 H new ATOM 66 N ASP A 5 -13.340 1.263 1.964 1.00 0.00 N ATOM 67 CA ASP A 5 -13.151 2.709 2.075 1.00 0.00 C ATOM 68 C ASP A 5 -11.935 3.041 2.929 1.00 0.00 C ATOM 69 O ASP A 5 -11.145 3.921 2.587 1.00 0.00 O ATOM 70 CB ASP A 5 -14.392 3.372 2.676 1.00 0.00 C ATOM 71 CG ASP A 5 -15.603 3.263 1.776 1.00 0.00 C ATOM 72 OD1 ASP A 5 -16.317 2.243 1.853 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.844 4.198 0.981 1.00 0.00 O ATOM 0 H ASP A 5 -14.244 0.933 2.301 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.989 3.096 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.616 2.911 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.180 4.424 2.868 1.00 0.00 H new ATOM 78 N ARG A 6 -11.782 2.317 4.030 1.00 0.00 N ATOM 79 CA ARG A 6 -10.683 2.555 4.956 1.00 0.00 C ATOM 80 C ARG A 6 -9.343 2.280 4.286 1.00 0.00 C ATOM 81 O ARG A 6 -8.392 3.044 4.442 1.00 0.00 O ATOM 82 CB ARG A 6 -10.840 1.682 6.202 1.00 0.00 C ATOM 83 CG ARG A 6 -12.149 1.909 6.939 1.00 0.00 C ATOM 84 CD ARG A 6 -12.228 1.073 8.202 1.00 0.00 C ATOM 85 NE ARG A 6 -13.515 1.218 8.882 1.00 0.00 N ATOM 86 CZ ARG A 6 -13.672 1.121 10.203 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.617 0.949 10.990 1.00 0.00 N ATOM 88 NH2 ARG A 6 -14.879 1.223 10.743 1.00 0.00 N ATOM 0 H ARG A 6 -12.407 1.559 4.304 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.709 3.603 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.772 0.633 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.011 1.879 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.246 2.964 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.984 1.661 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.067 0.024 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.426 1.365 8.880 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.341 1.404 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.683 0.891 10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.741 0.875 12.000 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.693 1.376 10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.993 1.148 11.754 1.00 0.00 H new ATOM 102 N VAL A 7 -9.280 1.195 3.521 1.00 0.00 N ATOM 103 CA VAL A 7 -8.061 0.835 2.807 1.00 0.00 C ATOM 104 C VAL A 7 -7.733 1.890 1.750 1.00 0.00 C ATOM 105 O VAL A 7 -6.572 2.255 1.565 1.00 0.00 O ATOM 106 CB VAL A 7 -8.180 -0.553 2.138 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.881 -0.938 1.448 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.567 -1.612 3.158 1.00 0.00 C ATOM 0 H VAL A 7 -10.058 0.551 3.380 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.255 0.790 3.539 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.965 -0.493 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.992 -1.919 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.643 -0.200 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.075 -0.972 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.645 -2.581 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.807 -1.662 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.527 -1.354 3.604 1.00 0.00 H new ATOM 118 N ARG A 8 -8.767 2.386 1.075 1.00 0.00 N ATOM 119 CA ARG A 8 -8.602 3.437 0.073 1.00 0.00 C ATOM 120 C ARG A 8 -7.969 4.679 0.692 1.00 0.00 C ATOM 121 O ARG A 8 -7.059 5.275 0.114 1.00 0.00 O ATOM 122 CB ARG A 8 -9.951 3.785 -0.568 1.00 0.00 C ATOM 123 CG ARG A 8 -9.917 5.051 -1.410 1.00 0.00 C ATOM 124 CD ARG A 8 -11.238 5.294 -2.121 1.00 0.00 C ATOM 125 NE ARG A 8 -11.351 6.674 -2.590 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.399 7.039 -3.871 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.337 6.132 -4.838 1.00 0.00 N ATOM 128 NH2 ARG A 8 -11.500 8.324 -4.180 1.00 0.00 N ATOM 0 H ARG A 8 -9.730 2.076 1.204 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.935 3.065 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.273 2.952 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.698 3.901 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.685 5.905 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.117 4.976 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.327 4.613 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.063 5.070 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.396 7.411 -1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.252 5.143 -4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.375 6.424 -5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.540 9.025 -3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.537 8.612 -5.158 1.00 0.00 H new ATOM 142 N LEU A 9 -8.442 5.055 1.873 1.00 0.00 N ATOM 143 CA LEU A 9 -7.899 6.204 2.587 1.00 0.00 C ATOM 144 C LEU A 9 -6.426 5.987 2.913 1.00 0.00 C ATOM 145 O LEU A 9 -5.610 6.912 2.824 1.00 0.00 O ATOM 146 CB LEU A 9 -8.681 6.450 3.878 1.00 0.00 C ATOM 147 CG LEU A 9 -10.165 6.766 3.690 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.852 6.889 5.041 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.342 8.044 2.885 1.00 0.00 C ATOM 0 H LEU A 9 -9.203 4.580 2.358 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.993 7.078 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.591 5.568 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.215 7.277 4.414 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.626 5.947 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.908 7.114 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.754 5.950 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.387 7.691 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.405 8.252 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.868 8.873 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.880 7.924 1.905 1.00 0.00 H new ATOM 161 N GLN A 10 -6.086 4.758 3.278 1.00 0.00 N ATOM 162 CA GLN A 10 -4.713 4.417 3.614 1.00 0.00 C ATOM 163 C GLN A 10 -3.841 4.382 2.366 1.00 0.00 C ATOM 164 O GLN A 10 -2.661 4.711 2.420 1.00 0.00 O ATOM 165 CB GLN A 10 -4.652 3.080 4.351 1.00 0.00 C ATOM 166 CG GLN A 10 -5.416 3.087 5.666 1.00 0.00 C ATOM 167 CD GLN A 10 -4.954 4.179 6.616 1.00 0.00 C ATOM 168 OE1 GLN A 10 -5.741 4.701 7.407 1.00 0.00 O ATOM 169 NE2 GLN A 10 -3.677 4.524 6.553 1.00 0.00 N ATOM 0 H GLN A 10 -6.743 3.981 3.349 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.326 5.191 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.056 2.299 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.610 2.826 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.479 3.217 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.301 2.118 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.058 4.067 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.313 5.246 7.174 1.00 0.00 H new ATOM 178 N LEU A 11 -4.425 3.991 1.241 1.00 0.00 N ATOM 179 CA LEU A 11 -3.720 4.050 -0.032 1.00 0.00 C ATOM 180 C LEU A 11 -3.347 5.487 -0.347 1.00 0.00 C ATOM 181 O LEU A 11 -2.229 5.765 -0.766 1.00 0.00 O ATOM 182 CB LEU A 11 -4.569 3.484 -1.166 1.00 0.00 C ATOM 183 CG LEU A 11 -4.816 1.981 -1.111 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.644 1.555 -2.306 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.498 1.219 -1.076 1.00 0.00 C ATOM 0 H LEU A 11 -5.378 3.632 1.184 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.819 3.443 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.533 3.994 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.084 3.721 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.364 1.748 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.818 0.480 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.600 2.079 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.110 1.800 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.698 0.148 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.921 1.448 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.930 1.515 -0.194 1.00 0.00 H new ATOM 197 N GLN A 12 -4.290 6.393 -0.116 1.00 0.00 N ATOM 198 CA GLN A 12 -4.062 7.818 -0.323 1.00 0.00 C ATOM 199 C GLN A 12 -2.985 8.331 0.630 1.00 0.00 C ATOM 200 O GLN A 12 -2.306 9.319 0.346 1.00 0.00 O ATOM 201 CB GLN A 12 -5.364 8.594 -0.118 1.00 0.00 C ATOM 202 CG GLN A 12 -6.479 8.175 -1.065 1.00 0.00 C ATOM 203 CD GLN A 12 -7.819 8.779 -0.692 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.090 9.044 0.478 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.670 8.990 -1.685 1.00 0.00 N ATOM 0 H GLN A 12 -5.226 6.163 0.217 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.718 7.970 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.701 8.457 0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.168 9.658 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.220 8.474 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.562 7.088 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.405 8.756 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.590 9.387 -1.493 1.00 0.00 H new ATOM 214 N ALA A 13 -2.836 7.653 1.764 1.00 0.00 N ATOM 215 CA ALA A 13 -1.783 7.980 2.716 1.00 0.00 C ATOM 216 C ALA A 13 -0.414 7.649 2.130 1.00 0.00 C ATOM 217 O ALA A 13 0.469 8.505 2.090 1.00 0.00 O ATOM 218 CB ALA A 13 -2.000 7.242 4.028 1.00 0.00 C ATOM 0 H ALA A 13 -3.432 6.874 2.045 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.820 9.050 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.203 7.499 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.962 7.530 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.991 6.167 3.847 1.00 0.00 H new ATOM 224 N LEU A 14 -0.247 6.408 1.668 1.00 0.00 N ATOM 225 CA LEU A 14 0.986 5.998 0.994 1.00 0.00 C ATOM 226 C LEU A 14 1.212 6.842 -0.252 1.00 0.00 C ATOM 227 O LEU A 14 2.323 7.292 -0.518 1.00 0.00 O ATOM 228 CB LEU A 14 0.945 4.515 0.591 1.00 0.00 C ATOM 229 CG LEU A 14 1.279 3.499 1.689 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.599 3.847 2.363 1.00 0.00 C ATOM 231 CD2 LEU A 14 0.157 3.405 2.710 1.00 0.00 C ATOM 0 H LEU A 14 -0.948 5.672 1.748 1.00 0.00 H new ATOM 0 HA LEU A 14 1.804 6.146 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.052 4.292 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.641 4.366 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 14 1.384 2.521 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.816 3.113 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.399 3.840 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.529 4.838 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.422 2.677 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.004 4.380 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.761 3.091 2.214 1.00 0.00 H new ATOM 243 N GLU A 15 0.135 7.042 -0.998 1.00 0.00 N ATOM 244 CA GLU A 15 0.142 7.825 -2.229 1.00 0.00 C ATOM 245 C GLU A 15 0.789 9.193 -1.998 1.00 0.00 C ATOM 246 O GLU A 15 1.753 9.565 -2.675 1.00 0.00 O ATOM 247 CB GLU A 15 -1.305 7.980 -2.702 1.00 0.00 C ATOM 248 CG GLU A 15 -1.469 8.372 -4.156 1.00 0.00 C ATOM 249 CD GLU A 15 -2.929 8.433 -4.560 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.544 7.362 -4.780 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.475 9.552 -4.651 1.00 0.00 O ATOM 0 H GLU A 15 -0.781 6.661 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 15 0.730 7.315 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.828 7.038 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.795 8.731 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.004 9.343 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.947 7.654 -4.788 1.00 0.00 H new ATOM 258 N ALA A 16 0.272 9.921 -1.015 1.00 0.00 N ATOM 259 CA ALA A 16 0.800 11.234 -0.673 1.00 0.00 C ATOM 260 C ALA A 16 2.209 11.131 -0.090 1.00 0.00 C ATOM 261 O ALA A 16 3.091 11.907 -0.449 1.00 0.00 O ATOM 262 CB ALA A 16 -0.129 11.936 0.306 1.00 0.00 C ATOM 0 H ALA A 16 -0.515 9.622 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 16 0.860 11.822 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.277 12.917 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.113 12.055 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.218 11.340 1.214 1.00 0.00 H new ATOM 268 N LEU A 17 2.414 10.155 0.793 1.00 0.00 N ATOM 269 CA LEU A 17 3.701 9.965 1.462 1.00 0.00 C ATOM 270 C LEU A 17 4.809 9.719 0.440 1.00 0.00 C ATOM 271 O LEU A 17 5.910 10.269 0.550 1.00 0.00 O ATOM 272 CB LEU A 17 3.603 8.793 2.456 1.00 0.00 C ATOM 273 CG LEU A 17 4.824 8.554 3.360 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.398 7.849 4.637 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.883 7.721 2.647 1.00 0.00 C ATOM 0 H LEU A 17 1.700 9.479 1.063 1.00 0.00 H new ATOM 0 HA LEU A 17 3.951 10.872 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.734 8.958 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.414 7.881 1.890 1.00 0.00 H new ATOM 0 HG LEU A 17 5.255 9.525 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.270 7.685 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.674 8.466 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.944 6.890 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.734 7.569 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.461 6.755 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.213 8.243 1.749 1.00 0.00 H new ATOM 287 N LEU A 18 4.513 8.895 -0.555 1.00 0.00 N ATOM 288 CA LEU A 18 5.468 8.598 -1.609 1.00 0.00 C ATOM 289 C LEU A 18 5.755 9.840 -2.436 1.00 0.00 C ATOM 290 O LEU A 18 6.878 10.038 -2.893 1.00 0.00 O ATOM 291 CB LEU A 18 4.953 7.473 -2.507 1.00 0.00 C ATOM 292 CG LEU A 18 4.854 6.105 -1.833 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.256 5.086 -2.787 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.224 5.649 -1.348 1.00 0.00 C ATOM 0 H LEU A 18 3.616 8.420 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 18 6.396 8.269 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.967 7.749 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.611 7.389 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 18 4.197 6.192 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.192 4.117 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.258 5.408 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.888 5.001 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.135 4.673 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.905 5.577 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.614 6.370 -0.630 1.00 0.00 H new ATOM 306 N ARG A 19 4.741 10.679 -2.617 1.00 0.00 N ATOM 307 CA ARG A 19 4.919 11.926 -3.347 1.00 0.00 C ATOM 308 C ARG A 19 5.793 12.886 -2.542 1.00 0.00 C ATOM 309 O ARG A 19 6.635 13.590 -3.103 1.00 0.00 O ATOM 310 CB ARG A 19 3.567 12.575 -3.669 1.00 0.00 C ATOM 311 CG ARG A 19 3.671 13.690 -4.701 1.00 0.00 C ATOM 312 CD ARG A 19 2.307 14.225 -5.107 1.00 0.00 C ATOM 313 NE ARG A 19 1.663 14.983 -4.035 1.00 0.00 N ATOM 314 CZ ARG A 19 1.534 16.310 -4.044 1.00 0.00 C ATOM 315 NH1 ARG A 19 2.057 17.029 -5.031 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.886 16.920 -3.061 1.00 0.00 N ATOM 0 H ARG A 19 3.795 10.519 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 19 5.416 11.701 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.882 11.811 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.135 12.976 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.273 14.503 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.191 13.318 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.416 14.863 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.665 13.393 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 19 1.292 14.468 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.561 16.566 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.955 18.044 -5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.486 16.374 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.787 17.935 -3.068 1.00 0.00 H new ATOM 330 N GLU A 20 5.598 12.895 -1.225 1.00 0.00 N ATOM 331 CA GLU A 20 6.415 13.713 -0.332 1.00 0.00 C ATOM 332 C GLU A 20 7.874 13.283 -0.397 1.00 0.00 C ATOM 333 O GLU A 20 8.773 14.112 -0.498 1.00 0.00 O ATOM 334 CB GLU A 20 5.919 13.606 1.112 1.00 0.00 C ATOM 335 CG GLU A 20 4.479 14.042 1.304 1.00 0.00 C ATOM 336 CD GLU A 20 4.080 14.068 2.762 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.862 12.988 3.348 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.998 15.173 3.335 1.00 0.00 O ATOM 0 H GLU A 20 4.881 12.345 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 20 6.330 14.749 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.023 12.573 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.560 14.213 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.341 15.034 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.820 13.364 0.761 1.00 0.00 H new ATOM 345 N HIS A 21 8.102 11.975 -0.361 1.00 0.00 N ATOM 346 CA HIS A 21 9.457 11.434 -0.399 1.00 0.00 C ATOM 347 C HIS A 21 9.947 11.261 -1.833 1.00 0.00 C ATOM 348 O HIS A 21 10.926 10.557 -2.085 1.00 0.00 O ATOM 349 CB HIS A 21 9.533 10.110 0.366 1.00 0.00 C ATOM 350 CG HIS A 21 9.532 10.292 1.854 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.681 10.253 2.613 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.520 10.532 2.721 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.374 10.458 3.881 1.00 0.00 C ATOM 354 NE2 HIS A 21 9.069 10.631 3.977 1.00 0.00 N ATOM 0 H HIS A 21 7.367 11.270 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 21 10.115 12.152 0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.688 9.483 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.437 9.578 0.071 1.00 0.00 H new ATOM 0 HD1 HIS A 21 11.621 10.091 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.474 10.628 2.471 1.00 0.00 H new ATOM 0 HE1 HIS A 21 11.074 10.480 4.703 1.00 0.00 H new ATOM 363 N GLN A 22 9.244 11.906 -2.761 1.00 0.00 N ATOM 364 CA GLN A 22 9.649 11.990 -4.166 1.00 0.00 C ATOM 365 C GLN A 22 9.863 10.619 -4.811 1.00 0.00 C ATOM 366 O GLN A 22 10.694 10.466 -5.702 1.00 0.00 O ATOM 367 CB GLN A 22 10.910 12.846 -4.299 1.00 0.00 C ATOM 368 CG GLN A 22 10.722 14.268 -3.788 1.00 0.00 C ATOM 369 CD GLN A 22 11.894 15.173 -4.109 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.036 14.724 -4.209 1.00 0.00 O ATOM 371 NE2 GLN A 22 11.620 16.459 -4.257 1.00 0.00 N ATOM 0 H GLN A 22 8.369 12.390 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 22 8.827 12.461 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.723 12.373 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.211 12.879 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.816 14.688 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.574 14.244 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.659 16.790 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.369 17.120 -4.462 1.00 0.00 H new ATOM 380 N HIS A 23 9.097 9.628 -4.376 1.00 0.00 N ATOM 381 CA HIS A 23 9.086 8.334 -5.049 1.00 0.00 C ATOM 382 C HIS A 23 7.872 8.240 -5.955 1.00 0.00 C ATOM 383 O HIS A 23 7.650 7.229 -6.618 1.00 0.00 O ATOM 384 CB HIS A 23 9.104 7.170 -4.056 1.00 0.00 C ATOM 385 CG HIS A 23 10.478 6.825 -3.569 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.253 5.830 -4.131 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.218 7.353 -2.566 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.407 5.769 -3.494 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.415 6.683 -2.544 1.00 0.00 N ATOM 0 H HIS A 23 8.479 9.693 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 23 9.995 8.259 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.476 7.421 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.663 6.292 -4.528 1.00 0.00 H new ATOM 0 HD1 HIS A 23 10.977 5.237 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.921 8.154 -1.905 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.212 5.084 -3.714 1.00 0.00 H new ATOM 398 N TRP A 24 7.079 9.302 -5.959 1.00 0.00 N ATOM 399 CA TRP A 24 5.990 9.437 -6.906 1.00 0.00 C ATOM 400 C TRP A 24 6.581 9.836 -8.249 1.00 0.00 C ATOM 401 O TRP A 24 6.963 10.989 -8.454 1.00 0.00 O ATOM 402 CB TRP A 24 4.980 10.480 -6.419 1.00 0.00 C ATOM 403 CG TRP A 24 3.752 10.575 -7.272 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.500 11.500 -8.244 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.607 9.716 -7.228 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.269 11.268 -8.806 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.702 10.176 -8.202 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.262 8.599 -6.463 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.473 9.560 -8.428 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.043 7.987 -6.688 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.161 8.468 -7.663 1.00 0.00 C ATOM 0 H TRP A 24 7.173 10.085 -5.312 1.00 0.00 H new ATOM 0 HA TRP A 24 5.456 8.492 -7.004 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.684 10.237 -5.398 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.465 11.455 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.171 12.297 -8.529 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.845 11.819 -9.552 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.936 8.220 -5.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.209 9.930 -9.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.766 7.123 -6.102 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.784 7.968 -7.815 1.00 0.00 H new ATOM 422 N ARG A 25 6.689 8.871 -9.140 1.00 0.00 N ATOM 423 CA ARG A 25 7.440 9.054 -10.367 1.00 0.00 C ATOM 424 C ARG A 25 6.586 9.648 -11.474 1.00 0.00 C ATOM 425 O ARG A 25 5.551 9.093 -11.846 1.00 0.00 O ATOM 426 CB ARG A 25 8.028 7.722 -10.820 1.00 0.00 C ATOM 427 CG ARG A 25 8.939 7.083 -9.786 1.00 0.00 C ATOM 428 CD ARG A 25 9.590 5.823 -10.324 1.00 0.00 C ATOM 429 NE ARG A 25 10.381 6.094 -11.521 1.00 0.00 N ATOM 430 CZ ARG A 25 11.633 5.680 -11.687 1.00 0.00 C ATOM 431 NH1 ARG A 25 12.239 4.974 -10.736 1.00 0.00 N ATOM 432 NH2 ARG A 25 12.284 5.984 -12.803 1.00 0.00 N ATOM 0 H ARG A 25 6.265 7.949 -9.037 1.00 0.00 H new ATOM 0 HA ARG A 25 8.245 9.759 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.215 7.034 -11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.588 7.875 -11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.710 7.794 -9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.364 6.844 -8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.229 5.387 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.821 5.086 -10.555 1.00 0.00 H new ATOM 0 HE ARG A 25 9.948 6.631 -12.272 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.743 4.748 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.200 4.659 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.823 6.533 -13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.245 5.669 -12.935 1.00 0.00 H new ATOM 446 N ASN A 26 7.035 10.777 -12.004 1.00 0.00 N ATOM 447 CA ASN A 26 6.371 11.412 -13.134 1.00 0.00 C ATOM 448 C ASN A 26 6.859 10.778 -14.434 1.00 0.00 C ATOM 449 O ASN A 26 7.465 11.435 -15.282 1.00 0.00 O ATOM 450 CB ASN A 26 6.644 12.921 -13.144 1.00 0.00 C ATOM 451 CG ASN A 26 5.838 13.657 -14.203 1.00 0.00 C ATOM 452 OD1 ASN A 26 4.697 13.294 -14.501 1.00 0.00 O ATOM 453 ND2 ASN A 26 6.427 14.691 -14.786 1.00 0.00 N ATOM 0 H ASN A 26 7.860 11.274 -11.668 1.00 0.00 H new ATOM 0 HA ASN A 26 5.295 11.262 -13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.410 13.335 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.706 13.093 -13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.935 15.217 -15.508 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.372 14.961 -14.512 1.00 0.00 H new ATOM 460 N ASP A 27 6.619 9.484 -14.564 1.00 0.00 N ATOM 461 CA ASP A 27 7.046 8.735 -15.738 1.00 0.00 C ATOM 462 C ASP A 27 5.837 8.184 -16.476 1.00 0.00 C ATOM 463 O ASP A 27 4.695 8.461 -16.104 1.00 0.00 O ATOM 464 CB ASP A 27 7.982 7.581 -15.344 1.00 0.00 C ATOM 465 CG ASP A 27 9.320 8.055 -14.805 1.00 0.00 C ATOM 466 OD1 ASP A 27 10.092 8.667 -15.573 1.00 0.00 O ATOM 467 OD2 ASP A 27 9.610 7.811 -13.615 1.00 0.00 O ATOM 0 H ASP A 27 6.127 8.925 -13.866 1.00 0.00 H new ATOM 0 HA ASP A 27 7.591 9.415 -16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.492 6.965 -14.590 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.152 6.946 -16.214 1.00 0.00 H new ATOM 472 N GLU A 28 6.091 7.417 -17.524 1.00 0.00 N ATOM 473 CA GLU A 28 5.026 6.764 -18.266 1.00 0.00 C ATOM 474 C GLU A 28 5.080 5.261 -18.035 1.00 0.00 C ATOM 475 O GLU A 28 6.018 4.593 -18.466 1.00 0.00 O ATOM 476 CB GLU A 28 5.133 7.073 -19.757 1.00 0.00 C ATOM 477 CG GLU A 28 5.005 8.549 -20.084 1.00 0.00 C ATOM 478 CD GLU A 28 5.027 8.810 -21.571 1.00 0.00 C ATOM 479 OE1 GLU A 28 6.122 8.788 -22.166 1.00 0.00 O ATOM 480 OE2 GLU A 28 3.947 9.033 -22.158 1.00 0.00 O ATOM 0 H GLU A 28 7.029 7.231 -17.880 1.00 0.00 H new ATOM 0 HA GLU A 28 4.070 7.147 -17.908 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.092 6.710 -20.127 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.357 6.523 -20.290 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.075 8.933 -19.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.819 9.096 -19.609 1.00 0.00 H new ATOM 487 N PRO A 29 4.083 4.721 -17.329 1.00 0.00 N ATOM 488 CA PRO A 29 4.023 3.298 -16.997 1.00 0.00 C ATOM 489 C PRO A 29 3.816 2.419 -18.228 1.00 0.00 C ATOM 490 O PRO A 29 3.052 2.764 -19.132 1.00 0.00 O ATOM 491 CB PRO A 29 2.816 3.190 -16.057 1.00 0.00 C ATOM 492 CG PRO A 29 2.503 4.589 -15.644 1.00 0.00 C ATOM 493 CD PRO A 29 2.933 5.454 -16.789 1.00 0.00 C ATOM 0 HA PRO A 29 4.956 2.952 -16.552 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.966 2.731 -16.562 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.047 2.568 -15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.439 4.709 -15.441 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.034 4.856 -14.730 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.142 5.569 -17.530 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.209 6.456 -16.459 1.00 0.00 H new ATOM 501 N GLN A 30 4.497 1.284 -18.252 1.00 0.00 N ATOM 502 CA GLN A 30 4.393 0.349 -19.359 1.00 0.00 C ATOM 503 C GLN A 30 4.080 -1.054 -18.843 1.00 0.00 C ATOM 504 O GLN A 30 4.647 -1.497 -17.844 1.00 0.00 O ATOM 505 CB GLN A 30 5.691 0.344 -20.173 1.00 0.00 C ATOM 506 CG GLN A 30 5.901 1.607 -20.998 1.00 0.00 C ATOM 507 CD GLN A 30 4.875 1.760 -22.111 1.00 0.00 C ATOM 508 OE1 GLN A 30 4.502 2.874 -22.481 1.00 0.00 O ATOM 509 NE2 GLN A 30 4.427 0.642 -22.666 1.00 0.00 N ATOM 0 H GLN A 30 5.132 0.987 -17.511 1.00 0.00 H new ATOM 0 HA GLN A 30 3.577 0.667 -20.009 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.535 0.220 -19.494 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.688 -0.518 -20.839 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.852 2.476 -20.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.901 1.591 -21.431 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.760 -0.262 -22.332 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.750 0.686 -23.427 1.00 0.00 H new ATOM 518 N PRO A 31 3.165 -1.769 -19.523 1.00 0.00 N ATOM 519 CA PRO A 31 2.745 -3.125 -19.135 1.00 0.00 C ATOM 520 C PRO A 31 3.897 -4.133 -19.111 1.00 0.00 C ATOM 521 O PRO A 31 3.757 -5.231 -18.568 1.00 0.00 O ATOM 522 CB PRO A 31 1.721 -3.517 -20.208 1.00 0.00 C ATOM 523 CG PRO A 31 1.960 -2.577 -21.339 1.00 0.00 C ATOM 524 CD PRO A 31 2.446 -1.302 -20.719 1.00 0.00 C ATOM 0 HA PRO A 31 2.348 -3.133 -18.120 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.856 -4.552 -20.521 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.702 -3.428 -19.831 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.698 -2.980 -22.032 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.045 -2.411 -21.908 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.100 -0.749 -21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.621 -0.639 -20.460 1.00 0.00 H new ATOM 532 N HIS A 32 5.037 -3.756 -19.688 1.00 0.00 N ATOM 533 CA HIS A 32 6.228 -4.605 -19.676 1.00 0.00 C ATOM 534 C HIS A 32 6.653 -4.939 -18.244 1.00 0.00 C ATOM 535 O HIS A 32 7.324 -5.943 -18.005 1.00 0.00 O ATOM 536 CB HIS A 32 7.383 -3.926 -20.426 1.00 0.00 C ATOM 537 CG HIS A 32 8.657 -4.720 -20.420 1.00 0.00 C ATOM 538 ND1 HIS A 32 8.912 -5.745 -21.304 1.00 0.00 N ATOM 539 CD2 HIS A 32 9.743 -4.645 -19.615 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.093 -6.266 -21.041 1.00 0.00 C ATOM 541 NE2 HIS A 32 10.617 -5.617 -20.021 1.00 0.00 N ATOM 0 H HIS A 32 5.161 -2.866 -20.171 1.00 0.00 H new ATOM 0 HA HIS A 32 5.978 -5.536 -20.184 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.080 -3.750 -21.458 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.571 -2.950 -19.978 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.892 -3.948 -18.804 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.554 -7.086 -21.572 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.527 -5.808 -19.602 1.00 0.00 H new ATOM 550 N GLN A 33 6.257 -4.100 -17.295 1.00 0.00 N ATOM 551 CA GLN A 33 6.587 -4.316 -15.892 1.00 0.00 C ATOM 552 C GLN A 33 6.047 -5.663 -15.411 1.00 0.00 C ATOM 553 O GLN A 33 6.673 -6.349 -14.603 1.00 0.00 O ATOM 554 CB GLN A 33 6.006 -3.186 -15.043 1.00 0.00 C ATOM 555 CG GLN A 33 6.530 -3.160 -13.616 1.00 0.00 C ATOM 556 CD GLN A 33 5.903 -2.054 -12.795 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.489 -1.030 -13.330 1.00 0.00 O ATOM 558 NE2 GLN A 33 5.848 -2.244 -11.488 1.00 0.00 N ATOM 0 H GLN A 33 5.705 -3.261 -17.472 1.00 0.00 H new ATOM 0 HA GLN A 33 7.672 -4.323 -15.787 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.231 -2.232 -15.520 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.921 -3.282 -15.020 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.331 -4.120 -13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.612 -3.030 -13.631 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.203 -3.110 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.450 -1.524 -10.884 1.00 0.00 H new ATOM 567 N PHE A 34 4.898 -6.056 -15.950 1.00 0.00 N ATOM 568 CA PHE A 34 4.229 -7.282 -15.533 1.00 0.00 C ATOM 569 C PHE A 34 4.849 -8.509 -16.201 1.00 0.00 C ATOM 570 O PHE A 34 4.470 -9.644 -15.910 1.00 0.00 O ATOM 571 CB PHE A 34 2.736 -7.204 -15.861 1.00 0.00 C ATOM 572 CG PHE A 34 2.033 -6.052 -15.198 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.489 -6.192 -13.932 1.00 0.00 C ATOM 574 CD2 PHE A 34 1.917 -4.829 -15.840 1.00 0.00 C ATOM 575 CE1 PHE A 34 0.843 -5.136 -13.320 1.00 0.00 C ATOM 576 CE2 PHE A 34 1.274 -3.770 -15.233 1.00 0.00 C ATOM 577 CZ PHE A 34 0.735 -3.923 -13.971 1.00 0.00 C ATOM 0 H PHE A 34 4.409 -5.540 -16.681 1.00 0.00 H new ATOM 0 HA PHE A 34 4.356 -7.385 -14.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.614 -7.120 -16.941 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.257 -8.135 -15.557 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.571 -7.138 -13.417 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.335 -4.704 -16.828 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.423 -5.259 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.192 -2.822 -15.744 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.230 -3.096 -13.494 1.00 0.00 H new ATOM 587 N ASN A 35 5.813 -8.280 -17.086 1.00 0.00 N ATOM 588 CA ASN A 35 6.474 -9.374 -17.793 1.00 0.00 C ATOM 589 C ASN A 35 7.540 -10.012 -16.923 1.00 0.00 C ATOM 590 O ASN A 35 8.082 -11.063 -17.267 1.00 0.00 O ATOM 591 CB ASN A 35 7.096 -8.892 -19.111 1.00 0.00 C ATOM 592 CG ASN A 35 6.076 -8.333 -20.090 1.00 0.00 C ATOM 593 OD1 ASN A 35 6.376 -7.425 -20.864 1.00 0.00 O ATOM 594 ND2 ASN A 35 4.865 -8.871 -20.071 1.00 0.00 N ATOM 0 H ASN A 35 6.154 -7.351 -17.331 1.00 0.00 H new ATOM 0 HA ASN A 35 5.713 -10.120 -18.024 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.839 -8.125 -18.894 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.623 -9.723 -19.581 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.147 -8.533 -20.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.651 -9.623 -19.416 1.00 0.00 H new ATOM 601 N SER A 36 7.850 -9.382 -15.797 1.00 0.00 N ATOM 602 CA SER A 36 8.727 -9.996 -14.815 1.00 0.00 C ATOM 603 C SER A 36 8.068 -11.264 -14.283 1.00 0.00 C ATOM 604 O SER A 36 8.725 -12.281 -14.075 1.00 0.00 O ATOM 605 CB SER A 36 9.029 -9.019 -13.676 1.00 0.00 C ATOM 606 OG SER A 36 9.601 -7.822 -14.177 1.00 0.00 O ATOM 0 H SER A 36 7.509 -8.454 -15.545 1.00 0.00 H new ATOM 0 HA SER A 36 9.675 -10.255 -15.286 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.111 -8.790 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.712 -9.483 -12.964 1.00 0.00 H new ATOM 0 HG SER A 36 9.237 -7.055 -13.687 1.00 0.00 H new ATOM 612 N THR A 37 6.746 -11.185 -14.093 1.00 0.00 N ATOM 613 CA THR A 37 5.934 -12.339 -13.710 1.00 0.00 C ATOM 614 C THR A 37 6.343 -12.877 -12.324 1.00 0.00 C ATOM 615 O THR A 37 5.990 -13.987 -11.924 1.00 0.00 O ATOM 616 CB THR A 37 6.034 -13.430 -14.804 1.00 0.00 C ATOM 617 OG1 THR A 37 5.817 -12.831 -16.089 1.00 0.00 O ATOM 618 CG2 THR A 37 5.012 -14.543 -14.601 1.00 0.00 C ATOM 0 H THR A 37 6.213 -10.322 -14.201 1.00 0.00 H new ATOM 0 HA THR A 37 4.893 -12.028 -13.628 1.00 0.00 H new ATOM 0 HB THR A 37 7.029 -13.870 -14.741 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.881 -13.518 -16.785 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.120 -15.285 -15.392 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.178 -15.017 -13.634 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.006 -14.124 -14.632 1.00 0.00 H new ATOM 626 N GLN A 38 7.068 -12.055 -11.580 1.00 0.00 N ATOM 627 CA GLN A 38 7.480 -12.396 -10.228 1.00 0.00 C ATOM 628 C GLN A 38 6.778 -11.488 -9.231 1.00 0.00 C ATOM 629 O GLN A 38 6.437 -10.352 -9.561 1.00 0.00 O ATOM 630 CB GLN A 38 8.998 -12.254 -10.080 1.00 0.00 C ATOM 631 CG GLN A 38 9.780 -13.319 -10.827 1.00 0.00 C ATOM 632 CD GLN A 38 11.278 -13.082 -10.797 1.00 0.00 C ATOM 633 OE1 GLN A 38 11.994 -13.464 -11.725 1.00 0.00 O ATOM 634 NE2 GLN A 38 11.765 -12.470 -9.727 1.00 0.00 N ATOM 0 H GLN A 38 7.385 -11.138 -11.895 1.00 0.00 H new ATOM 0 HA GLN A 38 7.205 -13.432 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.300 -11.271 -10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.258 -12.298 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.563 -14.294 -10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.443 -13.350 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.137 -12.170 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.768 -12.299 -9.649 1.00 0.00 H new ATOM 643 N PRO A 39 6.536 -11.974 -8.005 1.00 0.00 N ATOM 644 CA PRO A 39 5.962 -11.155 -6.937 1.00 0.00 C ATOM 645 C PRO A 39 6.781 -9.888 -6.714 1.00 0.00 C ATOM 646 O PRO A 39 8.012 -9.939 -6.694 1.00 0.00 O ATOM 647 CB PRO A 39 6.013 -12.063 -5.700 1.00 0.00 C ATOM 648 CG PRO A 39 6.906 -13.202 -6.072 1.00 0.00 C ATOM 649 CD PRO A 39 6.800 -13.350 -7.561 1.00 0.00 C ATOM 0 HA PRO A 39 4.952 -10.819 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.403 -11.526 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.017 -12.417 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.935 -13.003 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.599 -14.118 -5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.718 -13.746 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.995 -14.028 -7.844 1.00 0.00 H new ATOM 657 N PHE A 40 6.087 -8.755 -6.588 1.00 0.00 N ATOM 658 CA PHE A 40 6.718 -7.441 -6.390 1.00 0.00 C ATOM 659 C PHE A 40 7.392 -6.935 -7.669 1.00 0.00 C ATOM 660 O PHE A 40 7.838 -5.792 -7.719 1.00 0.00 O ATOM 661 CB PHE A 40 7.744 -7.467 -5.246 1.00 0.00 C ATOM 662 CG PHE A 40 7.181 -7.894 -3.918 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.476 -7.003 -3.127 1.00 0.00 C ATOM 664 CD2 PHE A 40 7.368 -9.189 -3.459 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.967 -7.395 -1.904 1.00 0.00 C ATOM 666 CE2 PHE A 40 6.860 -9.586 -2.240 1.00 0.00 C ATOM 667 CZ PHE A 40 6.159 -8.690 -1.461 1.00 0.00 C ATOM 0 H PHE A 40 5.068 -8.719 -6.620 1.00 0.00 H new ATOM 0 HA PHE A 40 5.914 -6.754 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.556 -8.142 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.178 -6.473 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.322 -5.990 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.918 -9.895 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.420 -6.691 -1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.011 -10.598 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.761 -9.000 -0.506 1.00 0.00 H new ATOM 677 N PHE A 41 7.454 -7.791 -8.697 1.00 0.00 N ATOM 678 CA PHE A 41 8.099 -7.452 -9.969 1.00 0.00 C ATOM 679 C PHE A 41 9.499 -6.899 -9.725 1.00 0.00 C ATOM 680 O PHE A 41 9.871 -5.846 -10.241 1.00 0.00 O ATOM 681 CB PHE A 41 7.243 -6.458 -10.759 1.00 0.00 C ATOM 682 CG PHE A 41 5.858 -6.968 -11.048 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.660 -8.014 -11.933 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.755 -6.405 -10.428 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.389 -8.489 -12.195 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.482 -6.873 -10.685 1.00 0.00 C ATOM 687 CZ PHE A 41 3.299 -7.917 -11.569 1.00 0.00 C ATOM 0 H PHE A 41 7.061 -8.732 -8.670 1.00 0.00 H new ATOM 0 HA PHE A 41 8.193 -8.360 -10.564 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.170 -5.526 -10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.742 -6.227 -11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.509 -8.464 -12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.893 -5.589 -9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.248 -9.306 -12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.631 -6.423 -10.195 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.304 -8.286 -11.771 1.00 0.00 H new ATOM 697 N MET A 42 10.282 -7.668 -8.970 1.00 0.00 N ATOM 698 CA MET A 42 11.572 -7.223 -8.441 1.00 0.00 C ATOM 699 C MET A 42 12.588 -6.927 -9.549 1.00 0.00 C ATOM 700 O MET A 42 13.645 -6.349 -9.291 1.00 0.00 O ATOM 701 CB MET A 42 12.146 -8.298 -7.507 1.00 0.00 C ATOM 702 CG MET A 42 11.102 -8.975 -6.624 1.00 0.00 C ATOM 703 SD MET A 42 11.830 -10.093 -5.408 1.00 0.00 S ATOM 704 CE MET A 42 10.359 -10.733 -4.607 1.00 0.00 C ATOM 0 H MET A 42 10.039 -8.623 -8.706 1.00 0.00 H new ATOM 0 HA MET A 42 11.394 -6.296 -7.896 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.646 -9.057 -8.108 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.906 -7.844 -6.871 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.521 -8.212 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.408 -9.532 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.631 -11.564 -3.957 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.896 -9.945 -4.014 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.655 -11.080 -5.363 1.00 0.00 H new ATOM 714 N ASP A 43 12.264 -7.322 -10.771 1.00 0.00 N ATOM 715 CA ASP A 43 13.191 -7.198 -11.891 1.00 0.00 C ATOM 716 C ASP A 43 13.041 -5.856 -12.593 1.00 0.00 C ATOM 717 O ASP A 43 14.030 -5.193 -12.902 1.00 0.00 O ATOM 718 CB ASP A 43 12.957 -8.324 -12.899 1.00 0.00 C ATOM 719 CG ASP A 43 12.931 -9.687 -12.245 1.00 0.00 C ATOM 720 OD1 ASP A 43 14.016 -10.223 -11.928 1.00 0.00 O ATOM 721 OD2 ASP A 43 11.824 -10.221 -12.041 1.00 0.00 O ATOM 0 H ASP A 43 11.363 -7.733 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 43 14.202 -7.267 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.013 -8.154 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.743 -8.301 -13.654 1.00 0.00 H new ATOM 726 N THR A 44 11.803 -5.460 -12.846 1.00 0.00 N ATOM 727 CA THR A 44 11.531 -4.231 -13.573 1.00 0.00 C ATOM 728 C THR A 44 11.577 -3.022 -12.645 1.00 0.00 C ATOM 729 O THR A 44 12.413 -2.131 -12.808 1.00 0.00 O ATOM 730 CB THR A 44 10.164 -4.303 -14.274 1.00 0.00 C ATOM 731 OG1 THR A 44 9.232 -5.011 -13.445 1.00 0.00 O ATOM 732 CG2 THR A 44 10.282 -4.989 -15.627 1.00 0.00 C ATOM 0 H THR A 44 10.970 -5.973 -12.558 1.00 0.00 H new ATOM 0 HA THR A 44 12.308 -4.116 -14.329 1.00 0.00 H new ATOM 0 HB THR A 44 9.806 -3.287 -14.438 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.459 -5.285 -13.982 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.302 -5.027 -16.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.971 -4.429 -16.260 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.658 -6.003 -15.489 1.00 0.00 H new ATOM 740 N MET A 45 10.677 -2.993 -11.674 1.00 0.00 N ATOM 741 CA MET A 45 10.668 -1.936 -10.681 1.00 0.00 C ATOM 742 C MET A 45 10.878 -2.531 -9.303 1.00 0.00 C ATOM 743 O MET A 45 10.078 -3.335 -8.832 1.00 0.00 O ATOM 744 CB MET A 45 9.370 -1.123 -10.735 1.00 0.00 C ATOM 745 CG MET A 45 9.208 -0.340 -12.030 1.00 0.00 C ATOM 746 SD MET A 45 7.795 0.784 -12.011 1.00 0.00 S ATOM 747 CE MET A 45 8.280 1.938 -10.732 1.00 0.00 C ATOM 0 H MET A 45 9.943 -3.692 -11.555 1.00 0.00 H new ATOM 0 HA MET A 45 11.485 -1.249 -10.901 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.521 -1.797 -10.616 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.347 -0.430 -9.894 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.117 0.232 -12.217 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.096 -1.040 -12.858 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.821 2.908 -10.924 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.950 1.566 -9.762 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.365 2.044 -10.730 1.00 0.00 H new ATOM 757 N GLU A 46 11.977 -2.139 -8.676 1.00 0.00 N ATOM 758 CA GLU A 46 12.398 -2.698 -7.398 1.00 0.00 C ATOM 759 C GLU A 46 11.315 -2.534 -6.327 1.00 0.00 C ATOM 760 O GLU A 46 10.467 -1.657 -6.437 1.00 0.00 O ATOM 761 CB GLU A 46 13.704 -2.027 -6.975 1.00 0.00 C ATOM 762 CG GLU A 46 14.808 -2.216 -8.004 1.00 0.00 C ATOM 763 CD GLU A 46 16.073 -1.460 -7.669 1.00 0.00 C ATOM 764 OE1 GLU A 46 16.926 -2.010 -6.946 1.00 0.00 O ATOM 765 OE2 GLU A 46 16.230 -0.317 -8.146 1.00 0.00 O ATOM 0 H GLU A 46 12.605 -1.422 -9.040 1.00 0.00 H new ATOM 0 HA GLU A 46 12.561 -3.770 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.530 -0.962 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.028 -2.437 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.039 -3.278 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.446 -1.891 -8.979 1.00 0.00 H new ATOM 772 N PRO A 47 11.346 -3.390 -5.280 1.00 0.00 N ATOM 773 CA PRO A 47 10.313 -3.472 -4.232 1.00 0.00 C ATOM 774 C PRO A 47 9.638 -2.146 -3.862 1.00 0.00 C ATOM 775 O PRO A 47 8.411 -2.059 -3.843 1.00 0.00 O ATOM 776 CB PRO A 47 11.105 -4.006 -3.046 1.00 0.00 C ATOM 777 CG PRO A 47 12.122 -4.913 -3.653 1.00 0.00 C ATOM 778 CD PRO A 47 12.417 -4.379 -5.036 1.00 0.00 C ATOM 0 HA PRO A 47 9.474 -4.084 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.577 -3.198 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.462 -4.542 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.028 -4.938 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.746 -5.935 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.403 -3.917 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.402 -5.174 -5.781 1.00 0.00 H new ATOM 786 N LEU A 48 10.428 -1.119 -3.573 1.00 0.00 N ATOM 787 CA LEU A 48 9.877 0.154 -3.104 1.00 0.00 C ATOM 788 C LEU A 48 9.180 0.911 -4.235 1.00 0.00 C ATOM 789 O LEU A 48 8.296 1.732 -3.996 1.00 0.00 O ATOM 790 CB LEU A 48 10.983 1.019 -2.492 1.00 0.00 C ATOM 791 CG LEU A 48 10.498 2.278 -1.770 1.00 0.00 C ATOM 792 CD1 LEU A 48 9.532 1.916 -0.652 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.678 3.060 -1.215 1.00 0.00 C ATOM 0 H LEU A 48 11.445 -1.138 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 48 9.133 -0.067 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.550 0.411 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.671 1.315 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 48 9.973 2.905 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.199 2.825 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.671 1.395 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.034 1.268 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.315 3.952 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.228 2.437 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.338 3.352 -2.032 1.00 0.00 H new ATOM 805 N GLU A 49 9.566 0.612 -5.463 1.00 0.00 N ATOM 806 CA GLU A 49 8.997 1.264 -6.631 1.00 0.00 C ATOM 807 C GLU A 49 7.725 0.539 -7.078 1.00 0.00 C ATOM 808 O GLU A 49 6.914 1.089 -7.820 1.00 0.00 O ATOM 809 CB GLU A 49 10.022 1.276 -7.766 1.00 0.00 C ATOM 810 CG GLU A 49 11.353 1.916 -7.390 1.00 0.00 C ATOM 811 CD GLU A 49 11.268 3.421 -7.215 1.00 0.00 C ATOM 812 OE1 GLU A 49 11.440 4.144 -8.221 1.00 0.00 O ATOM 813 OE2 GLU A 49 11.060 3.885 -6.069 1.00 0.00 O ATOM 0 H GLU A 49 10.278 -0.085 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 49 8.738 2.291 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.202 0.251 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.601 1.811 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.714 1.469 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.089 1.688 -8.161 1.00 0.00 H new ATOM 820 N TRP A 50 7.561 -0.696 -6.603 1.00 0.00 N ATOM 821 CA TRP A 50 6.381 -1.510 -6.910 1.00 0.00 C ATOM 822 C TRP A 50 5.109 -0.851 -6.373 1.00 0.00 C ATOM 823 O TRP A 50 3.999 -1.130 -6.839 1.00 0.00 O ATOM 824 CB TRP A 50 6.553 -2.913 -6.316 1.00 0.00 C ATOM 825 CG TRP A 50 5.369 -3.810 -6.518 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.946 -4.357 -7.693 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.459 -4.264 -5.511 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.826 -5.123 -7.478 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.507 -5.080 -6.147 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.356 -4.056 -4.134 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.466 -5.691 -5.451 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.324 -4.661 -3.445 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.392 -5.469 -4.102 1.00 0.00 C ATOM 0 H TRP A 50 8.238 -1.160 -5.997 1.00 0.00 H new ATOM 0 HA TRP A 50 6.283 -1.591 -7.993 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.430 -3.380 -6.763 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.749 -2.823 -5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.421 -4.210 -8.652 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.315 -5.640 -8.194 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.071 -3.433 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.745 -6.316 -5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.235 -4.507 -2.380 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.597 -5.928 -3.534 1.00 0.00 H new ATOM 844 N LEU A 51 5.282 0.034 -5.396 1.00 0.00 N ATOM 845 CA LEU A 51 4.173 0.800 -4.850 1.00 0.00 C ATOM 846 C LEU A 51 3.550 1.669 -5.941 1.00 0.00 C ATOM 847 O LEU A 51 2.346 1.936 -5.935 1.00 0.00 O ATOM 848 CB LEU A 51 4.660 1.682 -3.695 1.00 0.00 C ATOM 849 CG LEU A 51 5.345 0.941 -2.544 1.00 0.00 C ATOM 850 CD1 LEU A 51 5.881 1.926 -1.519 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.388 -0.034 -1.882 1.00 0.00 C ATOM 0 H LEU A 51 6.185 0.237 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 51 3.420 0.108 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.355 2.421 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.807 2.230 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 51 6.181 0.376 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.364 1.381 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.606 2.587 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.058 2.518 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.898 -0.548 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.530 0.510 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.048 -0.765 -2.616 1.00 0.00 H new ATOM 863 N GLN A 52 4.384 2.083 -6.889 1.00 0.00 N ATOM 864 CA GLN A 52 3.956 2.933 -7.987 1.00 0.00 C ATOM 865 C GLN A 52 3.395 2.096 -9.127 1.00 0.00 C ATOM 866 O GLN A 52 3.890 1.003 -9.403 1.00 0.00 O ATOM 867 CB GLN A 52 5.128 3.775 -8.494 1.00 0.00 C ATOM 868 CG GLN A 52 5.628 4.792 -7.484 1.00 0.00 C ATOM 869 CD GLN A 52 4.569 5.816 -7.128 1.00 0.00 C ATOM 870 OE1 GLN A 52 3.707 6.142 -7.943 1.00 0.00 O ATOM 871 NE2 GLN A 52 4.624 6.332 -5.913 1.00 0.00 N ATOM 0 H GLN A 52 5.374 1.838 -6.915 1.00 0.00 H new ATOM 0 HA GLN A 52 3.172 3.595 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.949 3.112 -8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.824 4.296 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.949 4.275 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.503 5.302 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.354 6.036 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.936 7.027 -5.622 1.00 0.00 H new ATOM 880 N TRP A 53 2.350 2.625 -9.760 1.00 0.00 N ATOM 881 CA TRP A 53 1.697 1.996 -10.912 1.00 0.00 C ATOM 882 C TRP A 53 0.919 0.738 -10.527 1.00 0.00 C ATOM 883 O TRP A 53 -0.249 0.601 -10.881 1.00 0.00 O ATOM 884 CB TRP A 53 2.706 1.682 -12.026 1.00 0.00 C ATOM 885 CG TRP A 53 2.099 0.978 -13.206 1.00 0.00 C ATOM 886 CD1 TRP A 53 2.553 -0.166 -13.793 1.00 0.00 C ATOM 887 CD2 TRP A 53 0.922 1.360 -13.932 1.00 0.00 C ATOM 888 NE1 TRP A 53 1.744 -0.511 -14.846 1.00 0.00 N ATOM 889 CE2 TRP A 53 0.733 0.407 -14.950 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.012 2.416 -13.824 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -0.327 0.477 -15.851 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -1.040 2.484 -14.717 1.00 0.00 C ATOM 893 CH2 TRP A 53 -1.203 1.519 -15.718 1.00 0.00 C ATOM 0 H TRP A 53 1.926 3.512 -9.487 1.00 0.00 H new ATOM 0 HA TRP A 53 0.977 2.722 -11.291 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.163 2.612 -12.364 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.506 1.065 -11.617 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.424 -0.720 -13.475 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.874 -1.320 -15.453 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.129 3.166 -13.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.453 -0.264 -16.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.749 3.295 -14.642 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.037 1.599 -16.399 1.00 0.00 H new ATOM 904 N VAL A 54 1.548 -0.176 -9.809 1.00 0.00 N ATOM 905 CA VAL A 54 0.889 -1.420 -9.471 1.00 0.00 C ATOM 906 C VAL A 54 0.115 -1.318 -8.163 1.00 0.00 C ATOM 907 O VAL A 54 -1.085 -1.094 -8.188 1.00 0.00 O ATOM 908 CB VAL A 54 1.857 -2.613 -9.394 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.076 -3.894 -9.136 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.671 -2.729 -10.673 1.00 0.00 C ATOM 0 H VAL A 54 2.500 -0.081 -9.454 1.00 0.00 H new ATOM 0 HA VAL A 54 0.191 -1.602 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 54 2.551 -2.450 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.766 -4.736 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.535 -3.807 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.367 -4.057 -9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.349 -3.579 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.000 -2.875 -11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.249 -1.816 -10.821 1.00 0.00 H new ATOM 920 N LEU A 55 0.808 -1.443 -7.029 1.00 0.00 N ATOM 921 CA LEU A 55 0.136 -1.676 -5.747 1.00 0.00 C ATOM 922 C LEU A 55 -0.980 -0.673 -5.465 1.00 0.00 C ATOM 923 O LEU A 55 -2.142 -1.062 -5.343 1.00 0.00 O ATOM 924 CB LEU A 55 1.126 -1.675 -4.581 1.00 0.00 C ATOM 925 CG LEU A 55 0.490 -1.989 -3.222 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.170 -3.358 -3.246 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.518 -1.914 -2.109 1.00 0.00 C ATOM 0 H LEU A 55 1.825 -1.388 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.317 -2.663 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.909 -2.407 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.608 -0.699 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.275 -1.238 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.616 -3.564 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.946 -3.375 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.578 -4.119 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.040 -2.141 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.312 -2.636 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.942 -0.910 -2.072 1.00 0.00 H new ATOM 939 N ILE A 56 -0.639 0.606 -5.363 1.00 0.00 N ATOM 940 CA ILE A 56 -1.625 1.614 -4.983 1.00 0.00 C ATOM 941 C ILE A 56 -2.788 1.693 -5.989 1.00 0.00 C ATOM 942 O ILE A 56 -3.943 1.526 -5.591 1.00 0.00 O ATOM 943 CB ILE A 56 -0.986 3.008 -4.758 1.00 0.00 C ATOM 944 CG1 ILE A 56 0.048 2.930 -3.633 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.054 4.043 -4.426 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.748 4.242 -3.356 1.00 0.00 C ATOM 0 H ILE A 56 0.299 0.968 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.038 1.290 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.488 3.317 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.445 2.592 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.794 2.178 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.584 5.014 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.764 4.110 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.579 3.746 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.466 4.108 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.271 4.572 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.013 4.993 -3.068 1.00 0.00 H new ATOM 958 N PRO A 57 -2.532 1.923 -7.299 1.00 0.00 N ATOM 959 CA PRO A 57 -3.606 1.979 -8.303 1.00 0.00 C ATOM 960 C PRO A 57 -4.393 0.670 -8.409 1.00 0.00 C ATOM 961 O PRO A 57 -5.615 0.690 -8.575 1.00 0.00 O ATOM 962 CB PRO A 57 -2.872 2.271 -9.615 1.00 0.00 C ATOM 963 CG PRO A 57 -1.575 2.862 -9.198 1.00 0.00 C ATOM 964 CD PRO A 57 -1.214 2.172 -7.917 1.00 0.00 C ATOM 0 HA PRO A 57 -4.351 2.731 -8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.724 1.361 -10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.439 2.961 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.810 2.704 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.663 3.939 -9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.669 1.245 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.582 2.796 -7.285 1.00 0.00 H new ATOM 972 N ARG A 58 -3.700 -0.465 -8.305 1.00 0.00 N ATOM 973 CA ARG A 58 -4.357 -1.767 -8.390 1.00 0.00 C ATOM 974 C ARG A 58 -5.310 -1.964 -7.216 1.00 0.00 C ATOM 975 O ARG A 58 -6.443 -2.414 -7.391 1.00 0.00 O ATOM 976 CB ARG A 58 -3.344 -2.911 -8.430 1.00 0.00 C ATOM 977 CG ARG A 58 -4.002 -4.274 -8.544 1.00 0.00 C ATOM 978 CD ARG A 58 -2.986 -5.380 -8.756 1.00 0.00 C ATOM 979 NE ARG A 58 -3.628 -6.690 -8.827 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.498 -7.531 -9.851 1.00 0.00 C ATOM 981 NH1 ARG A 58 -2.782 -7.192 -10.916 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.108 -8.706 -9.827 1.00 0.00 N ATOM 0 H ARG A 58 -2.691 -0.508 -8.163 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.923 -1.783 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.671 -2.765 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.733 -2.881 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.575 -4.477 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.709 -4.267 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.432 -5.195 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.262 -5.372 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.213 -6.979 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.326 -6.281 -10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.688 -7.843 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.679 -8.968 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.007 -9.349 -10.612 1.00 0.00 H new ATOM 996 N MET A 59 -4.849 -1.614 -6.020 1.00 0.00 N ATOM 997 CA MET A 59 -5.677 -1.732 -4.829 1.00 0.00 C ATOM 998 C MET A 59 -6.847 -0.757 -4.891 1.00 0.00 C ATOM 999 O MET A 59 -7.939 -1.067 -4.424 1.00 0.00 O ATOM 1000 CB MET A 59 -4.853 -1.512 -3.559 1.00 0.00 C ATOM 1001 CG MET A 59 -3.908 -2.657 -3.240 1.00 0.00 C ATOM 1002 SD MET A 59 -4.771 -4.222 -3.001 1.00 0.00 S ATOM 1003 CE MET A 59 -3.397 -5.318 -2.658 1.00 0.00 C ATOM 0 H MET A 59 -3.912 -1.249 -5.852 1.00 0.00 H new ATOM 0 HA MET A 59 -6.076 -2.746 -4.795 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.275 -0.594 -3.666 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.530 -1.366 -2.718 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.187 -2.764 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.343 -2.417 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.771 -6.328 -2.488 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.714 -5.322 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.869 -4.972 -1.770 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.619 0.418 -5.481 1.00 0.00 N ATOM 1014 CA HIS A 60 -7.702 1.374 -5.715 1.00 0.00 C ATOM 1015 C HIS A 60 -8.826 0.705 -6.499 1.00 0.00 C ATOM 1016 O HIS A 60 -10.002 0.831 -6.153 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.206 2.600 -6.492 1.00 0.00 C ATOM 1018 CG HIS A 60 -6.726 3.743 -5.644 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -7.531 4.800 -5.283 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -5.505 4.018 -5.130 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -6.825 5.674 -4.590 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -5.585 5.230 -4.483 1.00 0.00 N ATOM 0 H HIS A 60 -5.702 0.728 -5.803 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.070 1.704 -4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.393 2.290 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.014 2.957 -7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.625 3.397 -5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.199 6.600 -4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.819 5.704 -4.004 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.440 -0.019 -7.545 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.386 -0.730 -8.401 1.00 0.00 C ATOM 1033 C ASP A 61 -10.090 -1.833 -7.612 1.00 0.00 C ATOM 1034 O ASP A 61 -11.319 -1.929 -7.617 1.00 0.00 O ATOM 1035 CB ASP A 61 -8.642 -1.329 -9.603 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.568 -1.791 -10.713 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.147 -2.891 -10.603 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -9.697 -1.062 -11.721 1.00 0.00 O ATOM 0 H ASP A 61 -7.465 -0.130 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.139 -0.029 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.952 -0.586 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.041 -2.174 -9.265 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.293 -2.641 -6.916 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.800 -3.745 -6.095 1.00 0.00 C ATOM 1045 C LEU A 62 -10.861 -3.259 -5.104 1.00 0.00 C ATOM 1046 O LEU A 62 -11.941 -3.843 -4.990 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.634 -4.388 -5.330 1.00 0.00 C ATOM 1048 CG LEU A 62 -8.980 -5.623 -4.494 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.169 -6.845 -5.379 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -7.898 -5.879 -3.458 1.00 0.00 C ATOM 0 H LEU A 62 -8.277 -2.551 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.264 -4.479 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.863 -4.665 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.200 -3.637 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.921 -5.432 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.414 -7.708 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.980 -6.662 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.249 -7.042 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.157 -6.760 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.945 -6.045 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.814 -5.015 -2.798 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.545 -2.181 -4.400 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.423 -1.640 -3.370 1.00 0.00 C ATOM 1064 C LEU A 63 -12.685 -1.031 -3.963 1.00 0.00 C ATOM 1065 O LEU A 63 -13.792 -1.312 -3.504 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.688 -0.568 -2.570 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.417 -1.036 -1.874 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.633 0.158 -1.364 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.749 -1.988 -0.736 1.00 0.00 C ATOM 0 H LEU A 63 -9.678 -1.659 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.711 -2.468 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.435 0.253 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.368 -0.168 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.801 -1.574 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.726 -0.187 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.366 0.802 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.243 0.718 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.828 -2.311 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.382 -1.479 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.275 -2.857 -1.131 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.510 -0.201 -4.987 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.613 0.576 -5.547 1.00 0.00 C ATOM 1083 C ASP A 64 -14.623 -0.324 -6.251 1.00 0.00 C ATOM 1084 O ASP A 64 -15.806 0.002 -6.332 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.079 1.636 -6.516 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.154 2.602 -6.973 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -14.693 3.344 -6.125 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.465 2.627 -8.182 1.00 0.00 O ATOM 0 H ASP A 64 -11.613 -0.048 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.124 1.075 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.276 2.193 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.646 1.142 -7.386 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.157 -1.466 -6.740 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.040 -2.433 -7.386 1.00 0.00 C ATOM 1095 C ASN A 65 -15.624 -3.399 -6.363 1.00 0.00 C ATOM 1096 O ASN A 65 -16.231 -4.409 -6.726 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.295 -3.209 -8.475 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.067 -2.385 -9.728 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -14.883 -2.395 -10.649 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -12.950 -1.680 -9.779 1.00 0.00 N ATOM 0 H ASN A 65 -13.177 -1.746 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.857 -1.881 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.334 -3.543 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.863 -4.103 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.739 -1.118 -10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.299 -1.698 -8.994 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.417 -3.083 -5.083 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.961 -3.865 -3.972 1.00 0.00 C ATOM 1109 C LYS A 66 -15.520 -5.322 -4.043 1.00 0.00 C ATOM 1110 O LYS A 66 -16.211 -6.217 -3.555 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.488 -3.777 -3.951 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.010 -2.373 -3.706 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.526 -2.344 -3.657 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.041 -0.953 -3.334 1.00 0.00 C ATOM 1115 NZ LYS A 66 -21.524 -0.918 -3.250 1.00 0.00 N ATOM 0 H LYS A 66 -14.867 -2.277 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.568 -3.440 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.878 -4.140 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.872 -4.439 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.607 -1.993 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.658 -1.710 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.929 -2.670 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.881 -3.049 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.616 -0.619 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.704 -0.254 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.836 0.049 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.930 -1.212 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.845 -1.566 -2.502 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.349 -5.549 -4.617 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.830 -6.894 -4.771 1.00 0.00 C ATOM 1131 C GLN A 67 -13.333 -7.432 -3.435 1.00 0.00 C ATOM 1132 O GLN A 67 -12.860 -6.669 -2.583 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.699 -6.920 -5.800 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.141 -6.572 -7.212 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.228 -7.498 -7.725 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -13.941 -8.556 -8.284 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -15.479 -7.095 -7.558 1.00 0.00 N ATOM 0 H GLN A 67 -13.741 -4.817 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.640 -7.532 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.923 -6.220 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.249 -7.913 -5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.504 -5.544 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.282 -6.620 -7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.671 -6.210 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.250 -7.670 -7.899 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.465 -8.748 -3.220 1.00 0.00 N ATOM 1147 CA PRO A 68 -12.965 -9.406 -2.014 1.00 0.00 C ATOM 1148 C PRO A 68 -11.455 -9.254 -1.888 1.00 0.00 C ATOM 1149 O PRO A 68 -10.722 -9.420 -2.867 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.342 -10.881 -2.210 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.410 -10.874 -3.250 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.114 -9.700 -4.137 1.00 0.00 C ATOM 0 HA PRO A 68 -13.387 -8.977 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.482 -11.468 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.700 -11.323 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.407 -11.804 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.397 -10.781 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.459 -9.974 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.022 -9.285 -4.574 1.00 0.00 H new ATOM 1160 N LEU A 69 -10.996 -8.928 -0.691 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.577 -8.727 -0.449 1.00 0.00 C ATOM 1162 C LEU A 69 -8.839 -10.065 -0.492 1.00 0.00 C ATOM 1163 O LEU A 69 -9.464 -11.125 -0.417 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.368 -8.026 0.897 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.991 -6.630 1.005 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.709 -6.026 2.372 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.463 -5.721 -0.094 1.00 0.00 C ATOM 0 H LEU A 69 -11.587 -8.797 0.130 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.168 -8.090 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.783 -8.654 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.297 -7.945 1.085 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.070 -6.726 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.158 -5.035 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.134 -6.664 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.632 -5.945 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.917 -4.735 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.380 -5.632 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.712 -6.144 -1.067 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.504 -10.039 -0.657 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.694 -11.261 -0.720 1.00 0.00 C ATOM 1181 C PRO A 70 -6.647 -12.017 0.612 1.00 0.00 C ATOM 1182 O PRO A 70 -6.260 -13.186 0.654 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.303 -10.748 -1.107 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.281 -9.325 -0.669 1.00 0.00 C ATOM 1185 CD PRO A 70 -6.686 -8.823 -0.828 1.00 0.00 C ATOM 0 HA PRO A 70 -7.107 -11.982 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.519 -11.324 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.136 -10.833 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.951 -9.240 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.587 -8.741 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.929 -8.067 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.842 -8.368 -1.806 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.033 -11.335 1.689 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.119 -11.962 2.999 1.00 0.00 C ATOM 1195 C GLY A 71 -5.787 -12.453 3.535 1.00 0.00 C ATOM 1196 O GLY A 71 -5.752 -13.310 4.419 1.00 0.00 O ATOM 0 H GLY A 71 -7.290 -10.348 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.543 -11.248 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.809 -12.804 2.943 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.694 -11.913 3.009 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.358 -12.337 3.415 1.00 0.00 C ATOM 1202 C ALA A 72 -2.299 -11.396 2.860 1.00 0.00 C ATOM 1203 O ALA A 72 -1.186 -11.813 2.535 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.089 -13.759 2.939 1.00 0.00 C ATOM 0 H ALA A 72 -4.706 -11.180 2.300 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.309 -12.309 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.089 -14.063 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.825 -14.434 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.160 -13.798 1.852 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.634 -10.119 2.767 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.720 -9.147 2.191 1.00 0.00 C ATOM 1212 C PHE A 73 -0.744 -8.637 3.246 1.00 0.00 C ATOM 1213 O PHE A 73 -1.042 -7.703 3.986 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.494 -7.987 1.563 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.617 -6.944 0.925 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.044 -7.169 -0.314 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.373 -5.739 1.565 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.240 -6.213 -0.902 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.571 -4.780 0.983 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.004 -5.017 -0.252 1.00 0.00 C ATOM 0 H PHE A 73 -3.525 -9.734 3.080 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.146 -9.639 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.177 -8.383 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.106 -7.513 2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.227 -8.102 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.816 -5.549 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.204 -6.400 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.387 -3.846 1.493 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.624 -4.268 -0.711 1.00 0.00 H new ATOM 1230 N ALA A 74 0.411 -9.280 3.322 1.00 0.00 N ATOM 1231 CA ALA A 74 1.454 -8.873 4.249 1.00 0.00 C ATOM 1232 C ALA A 74 2.759 -8.633 3.500 1.00 0.00 C ATOM 1233 O ALA A 74 3.493 -9.572 3.191 1.00 0.00 O ATOM 1234 CB ALA A 74 1.643 -9.924 5.334 1.00 0.00 C ATOM 0 H ALA A 74 0.650 -10.090 2.750 1.00 0.00 H new ATOM 0 HA ALA A 74 1.152 -7.941 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.428 -9.603 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.711 -10.051 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.926 -10.872 4.877 1.00 0.00 H new ATOM 1240 N VAL A 75 3.021 -7.376 3.174 1.00 0.00 N ATOM 1241 CA VAL A 75 4.231 -7.013 2.444 1.00 0.00 C ATOM 1242 C VAL A 75 5.239 -6.324 3.353 1.00 0.00 C ATOM 1243 O VAL A 75 6.417 -6.213 3.014 1.00 0.00 O ATOM 1244 CB VAL A 75 3.920 -6.093 1.245 1.00 0.00 C ATOM 1245 CG1 VAL A 75 3.087 -6.830 0.211 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.212 -4.825 1.703 1.00 0.00 C ATOM 0 H VAL A 75 2.414 -6.589 3.402 1.00 0.00 H new ATOM 0 HA VAL A 75 4.660 -7.943 2.071 1.00 0.00 H new ATOM 0 HB VAL A 75 4.864 -5.804 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.877 -6.166 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.637 -7.701 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.149 -7.152 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.003 -4.193 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.275 -5.089 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.850 -4.285 2.403 1.00 0.00 H new ATOM 1256 N ALA A 76 4.771 -5.879 4.516 1.00 0.00 N ATOM 1257 CA ALA A 76 5.617 -5.163 5.469 1.00 0.00 C ATOM 1258 C ALA A 76 6.865 -5.973 5.856 1.00 0.00 C ATOM 1259 O ALA A 76 7.973 -5.435 5.817 1.00 0.00 O ATOM 1260 CB ALA A 76 4.818 -4.766 6.704 1.00 0.00 C ATOM 0 H ALA A 76 3.806 -6.002 4.823 1.00 0.00 H new ATOM 0 HA ALA A 76 5.967 -4.256 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.466 -4.234 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.992 -4.118 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.424 -5.661 7.186 1.00 0.00 H new ATOM 1266 N PRO A 77 6.723 -7.272 6.225 1.00 0.00 N ATOM 1267 CA PRO A 77 7.874 -8.127 6.552 1.00 0.00 C ATOM 1268 C PRO A 77 8.911 -8.176 5.431 1.00 0.00 C ATOM 1269 O PRO A 77 10.115 -8.233 5.691 1.00 0.00 O ATOM 1270 CB PRO A 77 7.261 -9.520 6.764 1.00 0.00 C ATOM 1271 CG PRO A 77 5.878 -9.434 6.213 1.00 0.00 C ATOM 1272 CD PRO A 77 5.457 -8.008 6.390 1.00 0.00 C ATOM 0 HA PRO A 77 8.409 -7.747 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.841 -10.287 6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.247 -9.786 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.857 -9.720 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.204 -10.109 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.716 -7.710 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.014 -7.836 7.371 1.00 0.00 H new ATOM 1280 N TYR A 78 8.442 -8.146 4.186 1.00 0.00 N ATOM 1281 CA TYR A 78 9.337 -8.174 3.038 1.00 0.00 C ATOM 1282 C TYR A 78 10.111 -6.866 2.932 1.00 0.00 C ATOM 1283 O TYR A 78 11.335 -6.870 2.830 1.00 0.00 O ATOM 1284 CB TYR A 78 8.565 -8.431 1.741 1.00 0.00 C ATOM 1285 CG TYR A 78 9.439 -8.387 0.503 1.00 0.00 C ATOM 1286 CD1 TYR A 78 10.310 -9.429 0.205 1.00 0.00 C ATOM 1287 CD2 TYR A 78 9.401 -7.298 -0.361 1.00 0.00 C ATOM 1288 CE1 TYR A 78 11.117 -9.385 -0.917 1.00 0.00 C ATOM 1289 CE2 TYR A 78 10.207 -7.249 -1.483 1.00 0.00 C ATOM 1290 CZ TYR A 78 11.062 -8.294 -1.756 1.00 0.00 C ATOM 1291 OH TYR A 78 11.873 -8.242 -2.871 1.00 0.00 O ATOM 0 H TYR A 78 7.451 -8.102 3.949 1.00 0.00 H new ATOM 0 HA TYR A 78 10.041 -8.993 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.082 -9.406 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.773 -7.688 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.357 -10.286 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.731 -6.477 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.788 -10.203 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.167 -6.395 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 78 11.915 -9.129 -3.286 1.00 0.00 H new ATOM 1301 N TYR A 79 9.394 -5.747 2.973 1.00 0.00 N ATOM 1302 CA TYR A 79 10.018 -4.429 2.867 1.00 0.00 C ATOM 1303 C TYR A 79 10.995 -4.181 4.012 1.00 0.00 C ATOM 1304 O TYR A 79 11.982 -3.467 3.852 1.00 0.00 O ATOM 1305 CB TYR A 79 8.954 -3.332 2.839 1.00 0.00 C ATOM 1306 CG TYR A 79 8.266 -3.180 1.500 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.215 -4.008 1.133 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.673 -2.202 0.604 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.586 -3.863 -0.089 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.049 -2.050 -0.616 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.008 -2.884 -0.960 1.00 0.00 C ATOM 1312 OH TYR A 79 6.383 -2.734 -2.175 1.00 0.00 O ATOM 0 H TYR A 79 8.380 -5.725 3.079 1.00 0.00 H new ATOM 0 HA TYR A 79 10.578 -4.404 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.204 -3.548 3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.417 -2.383 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.883 -4.778 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.492 -1.549 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.768 -4.514 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.375 -1.280 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 79 7.057 -2.643 -2.881 1.00 0.00 H new ATOM 1322 N GLU A 80 10.721 -4.790 5.158 1.00 0.00 N ATOM 1323 CA GLU A 80 11.584 -4.667 6.330 1.00 0.00 C ATOM 1324 C GLU A 80 12.971 -5.259 6.056 1.00 0.00 C ATOM 1325 O GLU A 80 13.960 -4.863 6.671 1.00 0.00 O ATOM 1326 CB GLU A 80 10.930 -5.373 7.524 1.00 0.00 C ATOM 1327 CG GLU A 80 11.728 -5.290 8.816 1.00 0.00 C ATOM 1328 CD GLU A 80 11.826 -3.882 9.367 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.678 -3.109 8.889 1.00 0.00 O ATOM 1330 OE2 GLU A 80 11.061 -3.550 10.296 1.00 0.00 O ATOM 0 H GLU A 80 9.901 -5.379 5.303 1.00 0.00 H new ATOM 0 HA GLU A 80 11.712 -3.609 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.944 -4.940 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.778 -6.422 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.265 -5.934 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.732 -5.675 8.641 1.00 0.00 H new ATOM 1337 N MET A 81 13.041 -6.202 5.125 1.00 0.00 N ATOM 1338 CA MET A 81 14.304 -6.859 4.798 1.00 0.00 C ATOM 1339 C MET A 81 14.841 -6.379 3.455 1.00 0.00 C ATOM 1340 O MET A 81 16.052 -6.287 3.255 1.00 0.00 O ATOM 1341 CB MET A 81 14.121 -8.375 4.745 1.00 0.00 C ATOM 1342 CG MET A 81 13.574 -8.983 6.023 1.00 0.00 C ATOM 1343 SD MET A 81 13.304 -10.759 5.872 1.00 0.00 S ATOM 1344 CE MET A 81 12.213 -10.810 4.451 1.00 0.00 C ATOM 0 H MET A 81 12.241 -6.530 4.583 1.00 0.00 H new ATOM 0 HA MET A 81 15.018 -6.602 5.580 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.448 -8.619 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.082 -8.838 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.269 -8.791 6.841 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.634 -8.495 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.539 -11.662 4.540 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.631 -9.890 4.406 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.805 -10.909 3.541 1.00 0.00 H new ATOM 1354 N ALA A 82 13.932 -6.087 2.535 1.00 0.00 N ATOM 1355 CA ALA A 82 14.305 -5.728 1.174 1.00 0.00 C ATOM 1356 C ALA A 82 14.828 -4.301 1.088 1.00 0.00 C ATOM 1357 O ALA A 82 15.621 -3.977 0.203 1.00 0.00 O ATOM 1358 CB ALA A 82 13.121 -5.908 0.239 1.00 0.00 C ATOM 0 H ALA A 82 12.927 -6.092 2.708 1.00 0.00 H new ATOM 0 HA ALA A 82 15.111 -6.395 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.414 -5.636 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.798 -6.949 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.300 -5.268 0.564 1.00 0.00 H new ATOM 1364 N LEU A 83 14.381 -3.447 1.996 1.00 0.00 N ATOM 1365 CA LEU A 83 14.805 -2.057 1.993 1.00 0.00 C ATOM 1366 C LEU A 83 16.009 -1.861 2.900 1.00 0.00 C ATOM 1367 O LEU A 83 15.965 -2.185 4.085 1.00 0.00 O ATOM 1368 CB LEU A 83 13.666 -1.139 2.439 1.00 0.00 C ATOM 1369 CG LEU A 83 12.430 -1.136 1.535 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.384 -0.170 2.075 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.810 -0.775 0.105 1.00 0.00 C ATOM 0 H LEU A 83 13.728 -3.691 2.741 1.00 0.00 H new ATOM 0 HA LEU A 83 15.085 -1.796 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.359 -1.431 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.048 -0.120 2.506 1.00 0.00 H new ATOM 0 HG LEU A 83 12.003 -2.139 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.511 -0.178 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.090 -0.476 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.802 0.836 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.917 -0.779 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.261 0.217 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.524 -1.505 -0.277 1.00 0.00 H new ATOM 1383 N ALA A 84 17.081 -1.335 2.329 1.00 0.00 N ATOM 1384 CA ALA A 84 18.295 -1.070 3.083 1.00 0.00 C ATOM 1385 C ALA A 84 18.134 0.138 3.986 1.00 0.00 C ATOM 1386 O ALA A 84 17.319 1.031 3.735 1.00 0.00 O ATOM 1387 CB ALA A 84 19.467 -0.876 2.140 1.00 0.00 C ATOM 0 H ALA A 84 17.134 -1.083 1.342 1.00 0.00 H new ATOM 0 HA ALA A 84 18.491 -1.934 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.370 -0.678 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.608 -1.778 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.267 -0.032 1.480 1.00 0.00 H new ATOM 1393 N THR A 85 18.934 0.162 5.033 1.00 0.00 N ATOM 1394 CA THR A 85 18.831 1.185 6.048 1.00 0.00 C ATOM 1395 C THR A 85 19.795 2.333 5.759 1.00 0.00 C ATOM 1396 O THR A 85 20.006 3.211 6.597 1.00 0.00 O ATOM 1397 CB THR A 85 19.111 0.586 7.433 1.00 0.00 C ATOM 1398 OG1 THR A 85 18.663 -0.777 7.464 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.374 1.363 8.503 1.00 0.00 C ATOM 0 H THR A 85 19.669 -0.524 5.202 1.00 0.00 H new ATOM 0 HA THR A 85 17.816 1.582 6.036 1.00 0.00 H new ATOM 0 HB THR A 85 20.183 0.636 7.623 1.00 0.00 H new ATOM 0 HG1 THR A 85 18.843 -1.161 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.583 0.926 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.705 2.401 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.302 1.322 8.309 1.00 0.00 H new ATOM 1407 N ASP A 86 20.362 2.331 4.555 1.00 0.00 N ATOM 1408 CA ASP A 86 21.225 3.413 4.108 1.00 0.00 C ATOM 1409 C ASP A 86 20.412 4.694 3.968 1.00 0.00 C ATOM 1410 O ASP A 86 20.948 5.799 3.990 1.00 0.00 O ATOM 1411 CB ASP A 86 21.880 3.052 2.774 1.00 0.00 C ATOM 1412 CG ASP A 86 20.910 3.099 1.611 1.00 0.00 C ATOM 1413 OD1 ASP A 86 19.855 2.433 1.681 1.00 0.00 O ATOM 1414 OD2 ASP A 86 21.193 3.805 0.621 1.00 0.00 O ATOM 0 H ASP A 86 20.236 1.586 3.870 1.00 0.00 H new ATOM 0 HA ASP A 86 22.011 3.570 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.704 3.739 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.308 2.052 2.844 1.00 0.00 H new ATOM 1419 N HIS A 87 19.107 4.522 3.807 1.00 0.00 N ATOM 1420 CA HIS A 87 18.173 5.632 3.852 1.00 0.00 C ATOM 1421 C HIS A 87 17.044 5.297 4.829 1.00 0.00 C ATOM 1422 O HIS A 87 16.116 4.550 4.507 1.00 0.00 O ATOM 1423 CB HIS A 87 17.650 5.999 2.447 1.00 0.00 C ATOM 1424 CG HIS A 87 16.973 4.896 1.678 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.610 3.742 1.278 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.709 4.802 1.197 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.774 2.994 0.588 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.609 3.609 0.519 1.00 0.00 N ATOM 0 H HIS A 87 18.671 3.615 3.643 1.00 0.00 H new ATOM 0 HA HIS A 87 18.689 6.521 4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 87 16.947 6.826 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 87 18.489 6.364 1.854 1.00 0.00 H new ATOM 0 HD1 HIS A 87 18.580 3.503 1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.923 5.532 1.323 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.005 2.034 0.150 1.00 0.00 H new ATOM 1437 N PRO A 88 17.133 5.842 6.055 1.00 0.00 N ATOM 1438 CA PRO A 88 16.261 5.470 7.183 1.00 0.00 C ATOM 1439 C PRO A 88 14.808 5.895 7.001 1.00 0.00 C ATOM 1440 O PRO A 88 13.952 5.571 7.825 1.00 0.00 O ATOM 1441 CB PRO A 88 16.873 6.210 8.384 1.00 0.00 C ATOM 1442 CG PRO A 88 18.218 6.667 7.930 1.00 0.00 C ATOM 1443 CD PRO A 88 18.104 6.872 6.449 1.00 0.00 C ATOM 0 HA PRO A 88 16.222 4.386 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.252 7.055 8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.954 5.553 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.506 7.591 8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.982 5.926 8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.753 7.874 6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.062 6.739 5.947 1.00 0.00 H new ATOM 1451 N GLN A 89 14.522 6.599 5.913 1.00 0.00 N ATOM 1452 CA GLN A 89 13.168 7.069 5.639 1.00 0.00 C ATOM 1453 C GLN A 89 12.209 5.899 5.423 1.00 0.00 C ATOM 1454 O GLN A 89 10.990 6.072 5.443 1.00 0.00 O ATOM 1455 CB GLN A 89 13.156 7.978 4.414 1.00 0.00 C ATOM 1456 CG GLN A 89 14.083 9.175 4.535 1.00 0.00 C ATOM 1457 CD GLN A 89 13.903 10.160 3.401 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.514 9.786 2.294 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.178 11.423 3.668 1.00 0.00 N ATOM 0 H GLN A 89 15.209 6.858 5.205 1.00 0.00 H new ATOM 0 HA GLN A 89 12.832 7.634 6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.441 7.396 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.139 8.332 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.899 9.679 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.117 8.830 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.498 11.689 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.071 12.133 2.943 1.00 0.00 H new ATOM 1468 N ARG A 90 12.767 4.706 5.225 1.00 0.00 N ATOM 1469 CA ARG A 90 11.962 3.509 5.021 1.00 0.00 C ATOM 1470 C ARG A 90 11.154 3.173 6.275 1.00 0.00 C ATOM 1471 O ARG A 90 10.131 2.500 6.195 1.00 0.00 O ATOM 1472 CB ARG A 90 12.840 2.315 4.623 1.00 0.00 C ATOM 1473 CG ARG A 90 13.815 1.849 5.700 1.00 0.00 C ATOM 1474 CD ARG A 90 14.518 0.566 5.276 1.00 0.00 C ATOM 1475 NE ARG A 90 15.413 0.034 6.305 1.00 0.00 N ATOM 1476 CZ ARG A 90 15.083 -0.948 7.147 1.00 0.00 C ATOM 1477 NH1 ARG A 90 13.857 -1.463 7.122 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.986 -1.424 7.997 1.00 0.00 N ATOM 0 H ARG A 90 13.774 4.545 5.202 1.00 0.00 H new ATOM 0 HA ARG A 90 11.268 3.714 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.193 1.480 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.407 2.580 3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.554 2.628 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.279 1.683 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.769 -0.187 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.090 0.756 4.368 1.00 0.00 H new ATOM 0 HE ARG A 90 16.346 0.438 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.168 -1.108 6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.606 -2.213 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.931 -1.039 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.735 -2.174 8.641 1.00 0.00 H new ATOM 1492 N ALA A 91 11.612 3.664 7.425 1.00 0.00 N ATOM 1493 CA ALA A 91 10.935 3.415 8.694 1.00 0.00 C ATOM 1494 C ALA A 91 9.531 4.012 8.689 1.00 0.00 C ATOM 1495 O ALA A 91 8.587 3.416 9.208 1.00 0.00 O ATOM 1496 CB ALA A 91 11.748 3.985 9.848 1.00 0.00 C ATOM 0 H ALA A 91 12.452 4.238 7.503 1.00 0.00 H new ATOM 0 HA ALA A 91 10.846 2.337 8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.231 3.792 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.730 3.512 9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.866 5.060 9.713 1.00 0.00 H new ATOM 1502 N LEU A 92 9.399 5.186 8.081 1.00 0.00 N ATOM 1503 CA LEU A 92 8.111 5.859 7.986 1.00 0.00 C ATOM 1504 C LEU A 92 7.182 5.088 7.061 1.00 0.00 C ATOM 1505 O LEU A 92 5.983 4.967 7.318 1.00 0.00 O ATOM 1506 CB LEU A 92 8.293 7.288 7.468 1.00 0.00 C ATOM 1507 CG LEU A 92 9.134 8.205 8.361 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.329 9.557 7.695 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.479 8.371 9.725 1.00 0.00 C ATOM 0 H LEU A 92 10.171 5.691 7.646 1.00 0.00 H new ATOM 0 HA LEU A 92 7.668 5.899 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.756 7.243 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.309 7.738 7.338 1.00 0.00 H new ATOM 0 HG LEU A 92 10.112 7.745 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.929 10.198 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.841 9.423 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.358 10.021 7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.091 9.026 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.489 8.809 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.388 7.397 10.206 1.00 0.00 H new ATOM 1521 N ILE A 93 7.753 4.556 5.990 1.00 0.00 N ATOM 1522 CA ILE A 93 6.994 3.784 5.022 1.00 0.00 C ATOM 1523 C ILE A 93 6.501 2.486 5.654 1.00 0.00 C ATOM 1524 O ILE A 93 5.333 2.123 5.519 1.00 0.00 O ATOM 1525 CB ILE A 93 7.848 3.468 3.774 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.438 4.760 3.198 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.012 2.747 2.723 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.379 4.538 2.033 1.00 0.00 C ATOM 0 H ILE A 93 8.745 4.647 5.770 1.00 0.00 H new ATOM 0 HA ILE A 93 6.137 4.381 4.711 1.00 0.00 H new ATOM 0 HB ILE A 93 8.667 2.811 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.623 5.408 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.972 5.288 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.630 2.532 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.633 1.813 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.175 3.379 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.755 5.499 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.215 3.917 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.845 4.039 1.224 1.00 0.00 H new ATOM 1540 N LEU A 94 7.394 1.809 6.370 1.00 0.00 N ATOM 1541 CA LEU A 94 7.063 0.554 7.039 1.00 0.00 C ATOM 1542 C LEU A 94 5.922 0.745 8.030 1.00 0.00 C ATOM 1543 O LEU A 94 5.011 -0.078 8.101 1.00 0.00 O ATOM 1544 CB LEU A 94 8.288 -0.004 7.765 1.00 0.00 C ATOM 1545 CG LEU A 94 9.449 -0.408 6.860 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.637 -0.850 7.694 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.026 -1.515 5.909 1.00 0.00 C ATOM 0 H LEU A 94 8.359 2.111 6.503 1.00 0.00 H new ATOM 0 HA LEU A 94 6.744 -0.156 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.643 0.744 8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.982 -0.873 8.347 1.00 0.00 H new ATOM 0 HG LEU A 94 9.743 0.458 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.458 -1.135 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.956 -0.029 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.352 -1.703 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.867 -1.789 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.707 -2.385 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.200 -1.166 5.289 1.00 0.00 H new ATOM 1559 N ALA A 95 5.975 1.840 8.781 1.00 0.00 N ATOM 1560 CA ALA A 95 4.941 2.148 9.759 1.00 0.00 C ATOM 1561 C ALA A 95 3.568 2.219 9.098 1.00 0.00 C ATOM 1562 O ALA A 95 2.615 1.573 9.545 1.00 0.00 O ATOM 1563 CB ALA A 95 5.258 3.457 10.470 1.00 0.00 C ATOM 0 H ALA A 95 6.725 2.529 8.730 1.00 0.00 H new ATOM 0 HA ALA A 95 4.920 1.345 10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.476 3.674 11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.217 3.370 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.308 4.265 9.740 1.00 0.00 H new ATOM 1569 N GLU A 96 3.484 2.984 8.016 1.00 0.00 N ATOM 1570 CA GLU A 96 2.231 3.162 7.296 1.00 0.00 C ATOM 1571 C GLU A 96 1.802 1.845 6.637 1.00 0.00 C ATOM 1572 O GLU A 96 0.614 1.520 6.589 1.00 0.00 O ATOM 1573 CB GLU A 96 2.389 4.266 6.246 1.00 0.00 C ATOM 1574 CG GLU A 96 1.074 4.792 5.697 1.00 0.00 C ATOM 1575 CD GLU A 96 0.206 5.430 6.761 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.534 6.551 7.201 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.809 4.824 7.146 1.00 0.00 O ATOM 0 H GLU A 96 4.273 3.493 7.617 1.00 0.00 H new ATOM 0 HA GLU A 96 1.454 3.457 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.944 5.094 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.988 3.884 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.279 5.523 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.526 3.973 5.231 1.00 0.00 H new ATOM 1584 N LEU A 97 2.779 1.078 6.153 1.00 0.00 N ATOM 1585 CA LEU A 97 2.505 -0.227 5.556 1.00 0.00 C ATOM 1586 C LEU A 97 1.858 -1.161 6.570 1.00 0.00 C ATOM 1587 O LEU A 97 0.942 -1.905 6.236 1.00 0.00 O ATOM 1588 CB LEU A 97 3.783 -0.877 5.015 1.00 0.00 C ATOM 1589 CG LEU A 97 4.421 -0.180 3.814 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.671 -0.928 3.377 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.429 -0.077 2.664 1.00 0.00 C ATOM 0 H LEU A 97 3.765 1.338 6.163 1.00 0.00 H new ATOM 0 HA LEU A 97 1.818 -0.061 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.517 -0.919 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.556 -1.906 4.737 1.00 0.00 H new ATOM 0 HG LEU A 97 4.705 0.830 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.117 -0.422 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.387 -0.951 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.406 -1.948 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.903 0.422 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.114 -1.077 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.559 0.497 2.984 1.00 0.00 H new ATOM 1603 N GLU A 98 2.338 -1.116 7.807 1.00 0.00 N ATOM 1604 CA GLU A 98 1.801 -1.968 8.864 1.00 0.00 C ATOM 1605 C GLU A 98 0.374 -1.575 9.222 1.00 0.00 C ATOM 1606 O GLU A 98 -0.430 -2.422 9.618 1.00 0.00 O ATOM 1607 CB GLU A 98 2.674 -1.908 10.113 1.00 0.00 C ATOM 1608 CG GLU A 98 4.079 -2.438 9.902 1.00 0.00 C ATOM 1609 CD GLU A 98 4.835 -2.573 11.202 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.412 -1.569 11.667 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.832 -3.683 11.774 1.00 0.00 O ATOM 0 H GLU A 98 3.096 -0.501 8.103 1.00 0.00 H new ATOM 0 HA GLU A 98 1.797 -2.989 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.733 -0.875 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.195 -2.480 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.030 -3.409 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.622 -1.769 9.235 1.00 0.00 H new ATOM 1618 N LYS A 99 0.065 -0.293 9.095 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.294 0.180 9.327 1.00 0.00 C ATOM 1620 C LYS A 99 -2.230 -0.426 8.282 1.00 0.00 C ATOM 1621 O LYS A 99 -3.350 -0.833 8.590 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.349 1.708 9.269 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.664 2.290 9.761 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.759 3.782 9.480 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.663 4.576 10.176 1.00 0.00 C ATOM 1626 NZ LYS A 99 -1.802 4.545 11.654 1.00 0.00 N ATOM 0 H LYS A 99 0.731 0.435 8.835 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.614 -0.133 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.535 2.115 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.181 2.030 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.494 1.775 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.761 2.115 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.699 3.951 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.732 4.149 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.690 4.172 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.691 5.610 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.087 5.166 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.752 4.875 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.665 3.572 11.995 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.746 -0.495 7.047 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.490 -1.106 5.953 1.00 0.00 C ATOM 1642 C LEU A 100 -2.540 -2.624 6.132 1.00 0.00 C ATOM 1643 O LEU A 100 -3.564 -3.263 5.879 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.823 -0.749 4.621 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.585 -1.171 3.365 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.917 -0.445 3.282 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.752 -0.901 2.121 1.00 0.00 C ATOM 0 H LEU A 100 -0.832 -0.131 6.777 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.511 -0.725 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.674 0.330 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.835 -1.208 4.596 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.780 -2.242 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.446 -0.757 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.518 -0.686 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.744 0.631 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.310 -1.207 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.527 0.164 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.821 -1.466 2.177 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.422 -3.181 6.581 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.295 -4.611 6.866 1.00 0.00 C ATOM 1661 C ASP A 101 -2.392 -5.085 7.817 1.00 0.00 C ATOM 1662 O ASP A 101 -2.953 -6.166 7.646 1.00 0.00 O ATOM 1663 CB ASP A 101 0.092 -4.875 7.470 1.00 0.00 C ATOM 1664 CG ASP A 101 0.258 -6.268 8.056 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -0.111 -6.466 9.235 1.00 0.00 O ATOM 1666 OD2 ASP A 101 0.807 -7.148 7.364 1.00 0.00 O ATOM 0 H ASP A 101 -0.569 -2.651 6.760 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.406 -5.171 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.847 -4.724 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.283 -4.139 8.251 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.711 -4.253 8.802 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.734 -4.583 9.788 1.00 0.00 C ATOM 1673 C ALA A 102 -5.125 -4.602 9.166 1.00 0.00 C ATOM 1674 O ALA A 102 -6.029 -5.268 9.673 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.684 -3.602 10.949 1.00 0.00 C ATOM 0 H ALA A 102 -2.274 -3.342 8.939 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.526 -5.585 10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.453 -3.860 11.677 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.704 -3.650 11.424 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.859 -2.592 10.579 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.300 -3.877 8.071 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.580 -3.851 7.378 1.00 0.00 C ATOM 1683 C LEU A 103 -6.778 -5.152 6.613 1.00 0.00 C ATOM 1684 O LEU A 103 -7.893 -5.666 6.521 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.655 -2.657 6.422 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.541 -1.285 7.088 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.565 -0.185 6.041 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.666 -1.083 8.093 1.00 0.00 C ATOM 0 H LEU A 103 -4.575 -3.301 7.644 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.375 -3.746 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.859 -2.752 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.600 -2.704 5.881 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.591 -1.239 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.483 0.785 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.728 -0.317 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.501 -0.233 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.568 -0.101 8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.627 -1.149 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.610 -1.854 8.861 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.681 -5.688 6.093 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.710 -6.957 5.372 1.00 0.00 C ATOM 1702 C PHE A 104 -5.540 -8.135 6.326 1.00 0.00 C ATOM 1703 O PHE A 104 -5.305 -9.268 5.902 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.624 -6.989 4.298 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.856 -6.020 3.179 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.675 -6.355 2.113 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.245 -4.778 3.184 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.882 -5.469 1.075 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.448 -3.888 2.149 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.268 -4.233 1.093 1.00 0.00 C ATOM 0 H PHE A 104 -4.756 -5.263 6.157 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.684 -7.045 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.661 -6.773 4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.561 -7.997 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.157 -7.321 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.602 -4.502 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.523 -5.742 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.966 -2.922 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.429 -3.537 0.283 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.637 -7.853 7.618 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.597 -8.889 8.634 1.00 0.00 C ATOM 1722 C ALA A 105 -6.937 -8.972 9.353 1.00 0.00 C ATOM 1723 O ALA A 105 -7.106 -9.738 10.307 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.473 -8.616 9.625 1.00 0.00 C ATOM 0 H ALA A 105 -5.745 -6.908 7.986 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.403 -9.847 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.456 -9.401 10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.519 -8.599 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.639 -7.652 10.107 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.884 -8.163 8.898 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.216 -8.123 9.499 1.00 0.00 C ATOM 1732 C ASP A 106 -10.276 -8.649 8.531 1.00 0.00 C ATOM 1733 O ASP A 106 -11.379 -9.017 8.942 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.558 -6.690 9.934 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.972 -6.556 10.472 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.242 -7.048 11.592 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.824 -5.968 9.775 1.00 0.00 O ATOM 0 H ASP A 106 -7.757 -7.523 8.114 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.210 -8.770 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.852 -6.370 10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.433 -6.018 9.085 1.00 0.00 H new ATOM 1742 N ASP A 107 -9.933 -8.716 7.252 1.00 0.00 N ATOM 1743 CA ASP A 107 -10.899 -9.108 6.230 1.00 0.00 C ATOM 1744 C ASP A 107 -11.078 -10.629 6.182 1.00 0.00 C ATOM 1745 O ASP A 107 -10.760 -11.337 7.143 1.00 0.00 O ATOM 1746 CB ASP A 107 -10.484 -8.563 4.859 1.00 0.00 C ATOM 1747 CG ASP A 107 -9.243 -9.226 4.302 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -8.146 -8.985 4.840 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -9.369 -9.974 3.313 1.00 0.00 O ATOM 0 H ASP A 107 -9.000 -8.506 6.897 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.862 -8.673 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.307 -8.700 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.309 -7.490 4.940 1.00 0.00 H new