USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 820 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 3 GLN : amide:sc= -0.498 X(o=-1.7,f=-1.6) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= -1.16 USER MOD Set 2.1: A 15 TYR OH : rot 30:sc= -0.524 USER MOD Set 2.2: A 56 SER OG : rot 90:sc= -3.2! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.675 K(o=-0.67,f=-5.1!) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.228 (180deg=-1.19) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.0461 (180deg=-0.489) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.152) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -2.72! C(o=-3.2!,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -1.78! (180deg=-2.45!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.45! C(o=-3.5!,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc=-0.00743 (180deg=-0.19) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.281 (180deg=-1.23) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.899 F(o=-2.6!,f=-0.9) USER MOD Single : A 37 ASN : amide:sc= -0.225 K(o=-0.22,f=-2!) USER MOD Single : A 45 ASN : amide:sc= -7.1! C(o=-7.1!,f=-8.9!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.924 F(o=-2!,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.79) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.09 F(o=-4!,f=-3.1) USER MOD Single : A 60 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-4.6!) USER MOD Single : A 64 SER OG : rot -12:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.372! USER MOD Single : A 73 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.2) USER MOD Single : A 76 ASN : amide:sc= -9.89! C(o=-9.9!,f=-19!) USER MOD Single : A 78 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.26) USER MOD Single : A 83 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.00051) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -5.34! C(o=-5.3!,f=-9.7!) USER MOD Single : A 91 SER OG : rot 0:sc= 0.276 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.95! C(o=-2!,f=-7.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.527 15.166 -5.706 1.00 0.00 N ATOM 2 CA MET A 1 -8.011 15.214 -5.578 1.00 0.00 C ATOM 3 C MET A 1 -8.504 13.918 -4.942 1.00 0.00 C ATOM 4 O MET A 1 -8.009 13.501 -3.896 1.00 0.00 O ATOM 5 CB MET A 1 -8.634 15.389 -6.968 1.00 0.00 C ATOM 6 CG MET A 1 -10.079 15.877 -6.830 1.00 0.00 C ATOM 7 SD MET A 1 -10.996 15.472 -8.339 1.00 0.00 S ATOM 8 CE MET A 1 -11.616 17.136 -8.696 1.00 0.00 C ATOM 0 H1 MET A 1 -6.187 16.048 -6.139 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.101 15.056 -4.764 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.256 14.360 -6.304 1.00 0.00 H new ATOM 0 HA MET A 1 -8.303 16.054 -4.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.053 16.104 -7.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.610 14.443 -7.509 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.552 15.409 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.096 16.953 -6.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.218 17.113 -9.604 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.228 17.483 -7.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.775 17.815 -8.836 1.00 0.00 H new ATOM 18 N GLU A 2 -9.484 13.285 -5.581 1.00 0.00 N ATOM 19 CA GLU A 2 -10.038 12.038 -5.069 1.00 0.00 C ATOM 20 C GLU A 2 -9.083 10.878 -5.329 1.00 0.00 C ATOM 21 O GLU A 2 -9.181 9.830 -4.699 1.00 0.00 O ATOM 22 CB GLU A 2 -11.384 11.751 -5.736 1.00 0.00 C ATOM 23 CG GLU A 2 -11.240 11.881 -7.254 1.00 0.00 C ATOM 24 CD GLU A 2 -12.538 11.465 -7.938 1.00 0.00 C ATOM 25 OE1 GLU A 2 -12.895 12.096 -8.919 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.155 10.522 -7.471 1.00 0.00 O ATOM 0 H GLU A 2 -9.908 13.613 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.180 12.142 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.724 10.748 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.139 12.448 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.994 12.910 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.418 11.257 -7.605 1.00 0.00 H new ATOM 33 N GLN A 3 -8.166 11.070 -6.271 1.00 0.00 N ATOM 34 CA GLN A 3 -7.202 10.032 -6.616 1.00 0.00 C ATOM 35 C GLN A 3 -6.760 9.262 -5.385 1.00 0.00 C ATOM 36 O GLN A 3 -7.188 8.132 -5.159 1.00 0.00 O ATOM 37 CB GLN A 3 -5.979 10.667 -7.278 1.00 0.00 C ATOM 38 CG GLN A 3 -5.027 9.568 -7.754 1.00 0.00 C ATOM 39 CD GLN A 3 -3.828 10.186 -8.464 1.00 0.00 C ATOM 40 OE1 GLN A 3 -3.507 9.805 -9.589 1.00 0.00 O ATOM 41 NE2 GLN A 3 -3.143 11.124 -7.869 1.00 0.00 N ATOM 0 H GLN A 3 -8.070 11.932 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.684 9.338 -7.304 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.288 11.285 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.470 11.323 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.690 8.974 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.550 8.890 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.411 11.438 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.339 11.543 -8.337 1.00 0.00 H new ATOM 50 N PHE A 4 -5.897 9.880 -4.589 1.00 0.00 N ATOM 51 CA PHE A 4 -5.413 9.222 -3.386 1.00 0.00 C ATOM 52 C PHE A 4 -6.596 8.721 -2.574 1.00 0.00 C ATOM 53 O PHE A 4 -6.537 7.642 -1.991 1.00 0.00 O ATOM 54 CB PHE A 4 -4.545 10.166 -2.552 1.00 0.00 C ATOM 55 CG PHE A 4 -3.820 9.374 -1.490 1.00 0.00 C ATOM 56 CD1 PHE A 4 -2.607 8.746 -1.793 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.361 9.270 -0.203 1.00 0.00 C ATOM 58 CE1 PHE A 4 -1.933 8.012 -0.809 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.688 8.535 0.781 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.474 7.907 0.478 1.00 0.00 C ATOM 0 H PHE A 4 -5.525 10.816 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.791 8.375 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.827 10.679 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.165 10.934 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.190 8.827 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.297 9.756 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.997 7.527 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.106 8.453 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.955 7.341 1.237 1.00 0.00 H new ATOM 70 N ASN A 5 -7.683 9.484 -2.563 1.00 0.00 N ATOM 71 CA ASN A 5 -8.869 9.053 -1.840 1.00 0.00 C ATOM 72 C ASN A 5 -9.338 7.724 -2.423 1.00 0.00 C ATOM 73 O ASN A 5 -9.917 6.891 -1.725 1.00 0.00 O ATOM 74 CB ASN A 5 -9.982 10.101 -1.955 1.00 0.00 C ATOM 75 CG ASN A 5 -11.009 9.899 -0.846 1.00 0.00 C ATOM 76 OD1 ASN A 5 -10.743 9.194 0.128 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.175 10.478 -0.936 1.00 0.00 N ATOM 0 H ASN A 5 -7.767 10.384 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.628 8.933 -0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.557 11.103 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.466 10.023 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.868 10.347 -0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.394 11.062 -1.743 1.00 0.00 H new ATOM 84 N ALA A 6 -9.073 7.539 -3.716 1.00 0.00 N ATOM 85 CA ALA A 6 -9.455 6.313 -4.405 1.00 0.00 C ATOM 86 C ALA A 6 -8.620 5.138 -3.892 1.00 0.00 C ATOM 87 O ALA A 6 -9.161 4.136 -3.419 1.00 0.00 O ATOM 88 CB ALA A 6 -9.255 6.489 -5.913 1.00 0.00 C ATOM 0 H ALA A 6 -8.596 8.223 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.506 6.102 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.541 5.572 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.874 7.313 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.207 6.708 -6.118 1.00 0.00 H new ATOM 94 N PHE A 7 -7.299 5.277 -3.969 1.00 0.00 N ATOM 95 CA PHE A 7 -6.406 4.227 -3.490 1.00 0.00 C ATOM 96 C PHE A 7 -6.658 3.988 -2.003 1.00 0.00 C ATOM 97 O PHE A 7 -6.613 2.855 -1.524 1.00 0.00 O ATOM 98 CB PHE A 7 -4.943 4.631 -3.727 1.00 0.00 C ATOM 99 CG PHE A 7 -4.047 3.955 -2.714 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.102 4.707 -2.006 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.165 2.580 -2.483 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.274 4.082 -1.066 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.337 1.956 -1.543 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.392 2.707 -0.835 1.00 0.00 C ATOM 0 H PHE A 7 -6.828 6.096 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.602 3.305 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.639 4.352 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.839 5.713 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.012 5.768 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.894 2.001 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.544 4.661 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.427 0.895 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.753 2.225 -0.110 1.00 0.00 H new ATOM 114 N LYS A 8 -6.936 5.070 -1.286 1.00 0.00 N ATOM 115 CA LYS A 8 -7.214 4.992 0.142 1.00 0.00 C ATOM 116 C LYS A 8 -8.349 4.023 0.423 1.00 0.00 C ATOM 117 O LYS A 8 -8.196 3.063 1.179 1.00 0.00 O ATOM 118 CB LYS A 8 -7.615 6.378 0.664 1.00 0.00 C ATOM 119 CG LYS A 8 -7.364 6.445 2.178 1.00 0.00 C ATOM 120 CD LYS A 8 -7.259 7.906 2.627 1.00 0.00 C ATOM 121 CE LYS A 8 -8.630 8.577 2.519 1.00 0.00 C ATOM 122 NZ LYS A 8 -9.632 7.792 3.294 1.00 0.00 N ATOM 0 H LYS A 8 -6.975 6.014 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.312 4.641 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.040 7.151 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.666 6.569 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.175 5.949 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.446 5.912 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.899 7.956 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.534 8.436 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.578 9.597 2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.933 8.642 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.406 8.418 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.015 7.032 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.176 7.378 4.132 1.00 0.00 H new ATOM 136 N SER A 9 -9.499 4.286 -0.188 1.00 0.00 N ATOM 137 CA SER A 9 -10.653 3.431 0.015 1.00 0.00 C ATOM 138 C SER A 9 -10.250 1.979 -0.185 1.00 0.00 C ATOM 139 O SER A 9 -10.672 1.105 0.570 1.00 0.00 O ATOM 140 CB SER A 9 -11.783 3.814 -0.943 1.00 0.00 C ATOM 141 OG SER A 9 -12.470 4.945 -0.427 1.00 0.00 O ATOM 0 H SER A 9 -9.652 5.073 -0.818 1.00 0.00 H new ATOM 0 HA SER A 9 -11.019 3.562 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.379 4.038 -1.930 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.473 2.978 -1.063 1.00 0.00 H new ATOM 0 HG SER A 9 -13.194 5.195 -1.038 1.00 0.00 H new ATOM 147 N LEU A 10 -9.417 1.721 -1.190 1.00 0.00 N ATOM 148 CA LEU A 10 -8.965 0.362 -1.439 1.00 0.00 C ATOM 149 C LEU A 10 -8.370 -0.227 -0.160 1.00 0.00 C ATOM 150 O LEU A 10 -8.481 -1.428 0.087 1.00 0.00 O ATOM 151 CB LEU A 10 -7.907 0.358 -2.559 1.00 0.00 C ATOM 152 CG LEU A 10 -8.392 -0.469 -3.760 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.289 -0.510 -4.829 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.732 -1.901 -3.309 1.00 0.00 C ATOM 0 H LEU A 10 -9.049 2.423 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.815 -0.245 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.700 1.381 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.971 -0.054 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.287 -0.008 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.631 -1.096 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.060 0.505 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.393 -0.968 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.075 -2.481 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.844 -2.370 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.519 -1.868 -2.555 1.00 0.00 H new ATOM 166 N LEU A 11 -7.737 0.624 0.653 1.00 0.00 N ATOM 167 CA LEU A 11 -7.134 0.151 1.897 1.00 0.00 C ATOM 168 C LEU A 11 -8.206 -0.100 2.951 1.00 0.00 C ATOM 169 O LEU A 11 -8.035 -0.944 3.819 1.00 0.00 O ATOM 170 CB LEU A 11 -6.126 1.168 2.441 1.00 0.00 C ATOM 171 CG LEU A 11 -4.905 1.259 1.516 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.289 2.668 1.604 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.867 0.212 1.943 1.00 0.00 C ATOM 0 H LEU A 11 -7.631 1.623 0.476 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.615 -0.782 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.598 2.147 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.810 0.876 3.443 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.212 1.069 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.422 2.728 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.029 3.408 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.979 2.866 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.998 0.273 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.561 0.402 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.305 -0.784 1.873 1.00 0.00 H new ATOM 185 N LYS A 12 -9.309 0.624 2.879 1.00 0.00 N ATOM 186 CA LYS A 12 -10.374 0.426 3.855 1.00 0.00 C ATOM 187 C LYS A 12 -10.797 -1.044 3.884 1.00 0.00 C ATOM 188 O LYS A 12 -10.637 -1.725 4.897 1.00 0.00 O ATOM 189 CB LYS A 12 -11.577 1.306 3.508 1.00 0.00 C ATOM 190 CG LYS A 12 -12.571 1.305 4.672 1.00 0.00 C ATOM 191 CD LYS A 12 -13.914 1.862 4.198 1.00 0.00 C ATOM 192 CE LYS A 12 -14.941 1.765 5.328 1.00 0.00 C ATOM 193 NZ LYS A 12 -15.237 0.332 5.609 1.00 0.00 N ATOM 0 H LYS A 12 -9.492 1.338 2.174 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.001 0.707 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.247 2.324 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.061 0.937 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.700 0.292 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.185 1.908 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.798 2.900 3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.263 1.305 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.557 2.251 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.855 2.288 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.154 0.256 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.274 -0.197 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.490 -0.064 6.215 1.00 0.00 H new ATOM 207 N LYS A 13 -11.332 -1.526 2.766 1.00 0.00 N ATOM 208 CA LYS A 13 -11.771 -2.919 2.673 1.00 0.00 C ATOM 209 C LYS A 13 -10.640 -3.862 3.081 1.00 0.00 C ATOM 210 O LYS A 13 -10.863 -4.869 3.754 1.00 0.00 O ATOM 211 CB LYS A 13 -12.210 -3.228 1.233 1.00 0.00 C ATOM 212 CG LYS A 13 -13.557 -3.964 1.235 1.00 0.00 C ATOM 213 CD LYS A 13 -14.696 -2.958 1.411 1.00 0.00 C ATOM 214 CE LYS A 13 -16.002 -3.708 1.673 1.00 0.00 C ATOM 215 NZ LYS A 13 -16.379 -4.487 0.460 1.00 0.00 N ATOM 0 H LYS A 13 -11.472 -0.979 1.916 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.613 -3.068 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.294 -2.302 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.455 -3.838 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.684 -4.512 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.580 -4.698 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.477 -2.286 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.792 -2.341 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.885 -4.377 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.794 -3.003 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.344 -4.859 0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.341 -3.869 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.715 -5.278 0.335 1.00 0.00 H new ATOM 229 N HIS A 14 -9.428 -3.514 2.670 1.00 0.00 N ATOM 230 CA HIS A 14 -8.245 -4.309 2.987 1.00 0.00 C ATOM 231 C HIS A 14 -7.967 -4.310 4.488 1.00 0.00 C ATOM 232 O HIS A 14 -8.099 -5.332 5.161 1.00 0.00 O ATOM 233 CB HIS A 14 -7.033 -3.718 2.258 1.00 0.00 C ATOM 234 CG HIS A 14 -5.969 -4.775 2.124 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.626 -4.768 2.404 1.00 0.00 N flip ATOM 236 CD2 HIS A 14 -6.250 -6.047 1.650 1.00 0.00 C flip ATOM 237 CE1 HIS A 14 -4.080 -6.013 2.110 1.00 0.00 C flip ATOM 238 NE2 HIS A 14 -5.101 -6.747 1.660 1.00 0.00 N flip ATOM 0 H HIS A 14 -9.236 -2.681 2.113 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.425 -5.335 2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.328 -3.355 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.644 -2.862 2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.216 -6.410 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.051 -6.320 2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.020 -7.719 1.361 1.00 0.00 H new ATOM 247 N TYR A 15 -7.565 -3.150 4.991 1.00 0.00 N ATOM 248 CA TYR A 15 -7.238 -2.976 6.400 1.00 0.00 C ATOM 249 C TYR A 15 -8.493 -2.965 7.268 1.00 0.00 C ATOM 250 O TYR A 15 -8.459 -2.491 8.403 1.00 0.00 O ATOM 251 CB TYR A 15 -6.493 -1.643 6.573 1.00 0.00 C ATOM 252 CG TYR A 15 -5.000 -1.869 6.482 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.156 -1.394 7.494 1.00 0.00 C ATOM 254 CD2 TYR A 15 -4.459 -2.554 5.386 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.775 -1.606 7.412 1.00 0.00 C ATOM 256 CE2 TYR A 15 -3.076 -2.764 5.305 1.00 0.00 C ATOM 257 CZ TYR A 15 -2.236 -2.290 6.318 1.00 0.00 C ATOM 258 OH TYR A 15 -0.874 -2.499 6.238 1.00 0.00 O ATOM 0 H TYR A 15 -7.456 -2.303 4.433 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.615 -3.813 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.810 -0.938 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.744 -1.199 7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.571 -0.864 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.108 -2.920 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.125 -1.241 8.194 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.659 -3.292 4.460 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.500 -2.565 7.141 1.00 0.00 H new ATOM 268 N GLU A 16 -9.598 -3.482 6.746 1.00 0.00 N ATOM 269 CA GLU A 16 -10.838 -3.508 7.515 1.00 0.00 C ATOM 270 C GLU A 16 -10.684 -4.393 8.748 1.00 0.00 C ATOM 271 O GLU A 16 -11.631 -4.581 9.512 1.00 0.00 O ATOM 272 CB GLU A 16 -11.982 -4.033 6.641 1.00 0.00 C ATOM 273 CG GLU A 16 -13.313 -3.894 7.385 1.00 0.00 C ATOM 274 CD GLU A 16 -14.471 -3.900 6.392 1.00 0.00 C ATOM 275 OE1 GLU A 16 -15.471 -3.261 6.676 1.00 0.00 O ATOM 276 OE2 GLU A 16 -14.341 -4.542 5.364 1.00 0.00 O ATOM 0 H GLU A 16 -9.663 -3.883 5.810 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.067 -2.493 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.020 -3.478 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.806 -5.078 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.429 -4.712 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.322 -2.968 7.961 1.00 0.00 H new ATOM 283 N LYS A 17 -9.483 -4.935 8.935 1.00 0.00 N ATOM 284 CA LYS A 17 -9.211 -5.804 10.080 1.00 0.00 C ATOM 285 C LYS A 17 -7.941 -5.362 10.801 1.00 0.00 C ATOM 286 O LYS A 17 -7.423 -6.076 11.659 1.00 0.00 O ATOM 287 CB LYS A 17 -9.052 -7.250 9.608 1.00 0.00 C ATOM 288 CG LYS A 17 -10.394 -7.763 9.081 1.00 0.00 C ATOM 289 CD LYS A 17 -10.272 -9.245 8.711 1.00 0.00 C ATOM 290 CE LYS A 17 -9.186 -9.427 7.645 1.00 0.00 C ATOM 291 NZ LYS A 17 -9.199 -8.264 6.711 1.00 0.00 N ATOM 0 H LYS A 17 -8.687 -4.790 8.314 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.050 -5.735 10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.295 -7.308 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.708 -7.877 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.167 -7.630 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.698 -7.184 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.027 -9.831 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.227 -9.616 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.208 -9.514 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.356 -10.351 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.726 -8.527 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.182 -7.990 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.698 -7.463 7.147 1.00 0.00 H new ATOM 305 N THR A 18 -7.445 -4.178 10.450 1.00 0.00 N ATOM 306 CA THR A 18 -6.234 -3.648 11.072 1.00 0.00 C ATOM 307 C THR A 18 -6.418 -2.170 11.413 1.00 0.00 C ATOM 308 O THR A 18 -5.536 -1.348 11.163 1.00 0.00 O ATOM 309 CB THR A 18 -5.043 -3.821 10.119 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.258 -4.965 9.303 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.752 -4.005 10.923 1.00 0.00 C ATOM 0 H THR A 18 -7.859 -3.571 9.743 1.00 0.00 H new ATOM 0 HA THR A 18 -6.040 -4.198 11.993 1.00 0.00 H new ATOM 0 HB THR A 18 -4.951 -2.933 9.494 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.500 -5.078 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.912 -4.127 10.239 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.586 -3.129 11.550 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.839 -4.890 11.553 1.00 0.00 H new ATOM 319 N ILE A 19 -7.577 -1.844 11.979 1.00 0.00 N ATOM 320 CA ILE A 19 -7.889 -0.470 12.347 1.00 0.00 C ATOM 321 C ILE A 19 -6.857 0.087 13.322 1.00 0.00 C ATOM 322 O ILE A 19 -6.011 0.892 12.941 1.00 0.00 O ATOM 323 CB ILE A 19 -9.287 -0.402 12.987 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.815 -1.819 13.269 1.00 0.00 C ATOM 325 CG2 ILE A 19 -10.251 0.321 12.049 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.249 -2.497 11.962 1.00 0.00 C ATOM 0 H ILE A 19 -8.315 -2.515 12.192 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.869 0.134 11.440 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.214 0.144 13.927 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.041 -2.413 13.755 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.658 -1.770 13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.239 0.366 12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.890 1.333 11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.313 -0.219 11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.620 -3.499 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.039 -1.911 11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.396 -2.564 11.286 1.00 0.00 H new ATOM 338 N GLY A 20 -6.947 -0.330 14.582 1.00 0.00 N ATOM 339 CA GLY A 20 -6.029 0.149 15.611 1.00 0.00 C ATOM 340 C GLY A 20 -4.730 0.654 14.997 1.00 0.00 C ATOM 341 O GLY A 20 -4.415 1.842 15.074 1.00 0.00 O ATOM 0 H GLY A 20 -7.644 -0.996 14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.501 0.950 16.179 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.814 -0.656 16.314 1.00 0.00 H new ATOM 345 N PHE A 21 -3.985 -0.257 14.384 1.00 0.00 N ATOM 346 CA PHE A 21 -2.720 0.107 13.753 1.00 0.00 C ATOM 347 C PHE A 21 -2.857 1.444 13.025 1.00 0.00 C ATOM 348 O PHE A 21 -2.012 2.329 13.165 1.00 0.00 O ATOM 349 CB PHE A 21 -2.289 -0.973 12.759 1.00 0.00 C ATOM 350 CG PHE A 21 -1.057 -0.502 12.021 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.160 -0.070 10.695 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.187 -0.492 12.666 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.021 0.372 10.013 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.326 -0.050 11.983 1.00 0.00 C ATOM 355 CZ PHE A 21 1.221 0.383 10.657 1.00 0.00 C ATOM 0 H PHE A 21 -4.230 -1.244 14.310 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.963 0.198 14.532 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.080 -1.905 13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.094 -1.178 12.054 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.119 -0.078 10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.267 -0.825 13.690 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.101 0.705 8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.285 -0.043 12.479 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.099 0.726 10.130 1.00 0.00 H new ATOM 365 N HIS A 22 -3.936 1.585 12.259 1.00 0.00 N ATOM 366 CA HIS A 22 -4.190 2.818 11.523 1.00 0.00 C ATOM 367 C HIS A 22 -4.263 4.000 12.484 1.00 0.00 C ATOM 368 O HIS A 22 -3.480 4.944 12.381 1.00 0.00 O ATOM 369 CB HIS A 22 -5.511 2.708 10.753 1.00 0.00 C ATOM 370 CG HIS A 22 -5.815 4.022 10.088 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.413 5.068 10.771 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.612 4.476 8.808 1.00 0.00 C ATOM 373 CE1 HIS A 22 -6.551 6.090 9.910 1.00 0.00 C ATOM 374 NE2 HIS A 22 -6.078 5.783 8.697 1.00 0.00 N ATOM 0 H HIS A 22 -4.645 0.863 12.133 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.372 2.976 10.820 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.444 1.917 10.006 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.319 2.437 11.433 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.160 3.906 8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.990 7.043 10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.062 6.378 7.869 1.00 0.00 H new ATOM 383 N ASP A 23 -5.209 3.942 13.413 1.00 0.00 N ATOM 384 CA ASP A 23 -5.378 5.016 14.385 1.00 0.00 C ATOM 385 C ASP A 23 -4.099 5.214 15.195 1.00 0.00 C ATOM 386 O ASP A 23 -4.003 6.131 16.011 1.00 0.00 O ATOM 387 CB ASP A 23 -6.541 4.676 15.328 1.00 0.00 C ATOM 388 CG ASP A 23 -7.360 5.927 15.633 1.00 0.00 C ATOM 389 OD1 ASP A 23 -6.774 6.903 16.072 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.561 5.892 15.421 1.00 0.00 O ATOM 0 H ASP A 23 -5.867 3.169 13.514 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.597 5.941 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.178 3.918 14.872 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.154 4.252 16.255 1.00 0.00 H new ATOM 395 N LYS A 24 -3.126 4.334 14.977 1.00 0.00 N ATOM 396 CA LYS A 24 -1.862 4.402 15.706 1.00 0.00 C ATOM 397 C LYS A 24 -0.881 5.375 15.047 1.00 0.00 C ATOM 398 O LYS A 24 -0.602 6.442 15.595 1.00 0.00 O ATOM 399 CB LYS A 24 -1.235 3.001 15.783 1.00 0.00 C ATOM 400 CG LYS A 24 -0.717 2.728 17.202 1.00 0.00 C ATOM 401 CD LYS A 24 -1.872 2.259 18.093 1.00 0.00 C ATOM 402 CE LYS A 24 -1.446 2.327 19.562 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.457 3.746 20.016 1.00 0.00 N ATOM 0 H LYS A 24 -3.187 3.569 14.305 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.072 4.770 16.710 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.974 2.249 15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.416 2.921 15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.065 1.969 17.174 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.269 3.632 17.616 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.749 2.885 17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.155 1.239 17.833 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.122 1.732 20.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.449 1.903 19.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.471 3.778 21.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.605 4.229 19.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.303 4.223 19.643 1.00 0.00 H new ATOM 417 N TYR A 25 -0.340 4.997 13.888 1.00 0.00 N ATOM 418 CA TYR A 25 0.630 5.850 13.198 1.00 0.00 C ATOM 419 C TYR A 25 0.035 6.498 11.951 1.00 0.00 C ATOM 420 O TYR A 25 -0.138 7.715 11.900 1.00 0.00 O ATOM 421 CB TYR A 25 1.857 5.026 12.804 1.00 0.00 C ATOM 422 CG TYR A 25 2.284 4.166 13.970 1.00 0.00 C ATOM 423 CD1 TYR A 25 2.148 2.774 13.902 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.817 4.762 15.119 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.546 1.979 14.983 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.215 3.967 16.199 1.00 0.00 C ATOM 427 CZ TYR A 25 3.080 2.575 16.131 1.00 0.00 C ATOM 428 OH TYR A 25 3.471 1.791 17.198 1.00 0.00 O ATOM 0 H TYR A 25 -0.552 4.120 13.413 1.00 0.00 H new ATOM 0 HA TYR A 25 0.915 6.645 13.887 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.626 4.400 11.942 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.672 5.687 12.508 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.736 2.314 13.016 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.921 5.836 15.172 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.441 0.905 14.931 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.626 4.427 17.085 1.00 0.00 H new ATOM 0 HH TYR A 25 3.821 2.363 17.913 1.00 0.00 H new ATOM 438 N ILE A 26 -0.261 5.685 10.941 1.00 0.00 N ATOM 439 CA ILE A 26 -0.815 6.204 9.696 1.00 0.00 C ATOM 440 C ILE A 26 -1.854 7.282 9.979 1.00 0.00 C ATOM 441 O ILE A 26 -1.870 8.325 9.327 1.00 0.00 O ATOM 442 CB ILE A 26 -1.444 5.069 8.884 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.332 4.174 8.330 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.254 5.654 7.722 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.945 2.933 7.681 1.00 0.00 C ATOM 0 H ILE A 26 -0.128 4.674 10.960 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.005 6.647 9.117 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.105 4.484 9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.260 4.724 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.345 3.880 9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.701 4.844 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.042 6.297 8.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.597 6.238 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.151 2.298 7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.518 2.379 8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.604 3.236 6.867 1.00 0.00 H new ATOM 457 N LYS A 27 -2.713 7.026 10.960 1.00 0.00 N ATOM 458 CA LYS A 27 -3.749 7.988 11.328 1.00 0.00 C ATOM 459 C LYS A 27 -4.276 8.713 10.091 1.00 0.00 C ATOM 460 O LYS A 27 -5.174 8.223 9.408 1.00 0.00 O ATOM 461 CB LYS A 27 -3.178 9.007 12.324 1.00 0.00 C ATOM 462 CG LYS A 27 -3.393 8.506 13.758 1.00 0.00 C ATOM 463 CD LYS A 27 -4.785 8.925 14.253 1.00 0.00 C ATOM 464 CE LYS A 27 -4.723 10.335 14.847 1.00 0.00 C ATOM 465 NZ LYS A 27 -4.265 10.257 16.263 1.00 0.00 N ATOM 0 H LYS A 27 -2.714 6.168 11.512 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.575 7.449 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.115 9.157 12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.664 9.973 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.296 7.421 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.625 8.915 14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.497 8.899 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.141 8.220 15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.041 10.956 14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.705 10.806 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.223 11.214 16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.932 9.678 16.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.320 9.824 16.299 1.00 0.00 H new ATOM 479 N ASP A 28 -3.711 9.881 9.805 1.00 0.00 N ATOM 480 CA ASP A 28 -4.137 10.657 8.645 1.00 0.00 C ATOM 481 C ASP A 28 -2.966 11.436 8.056 1.00 0.00 C ATOM 482 O ASP A 28 -2.351 12.262 8.730 1.00 0.00 O ATOM 483 CB ASP A 28 -5.249 11.627 9.045 1.00 0.00 C ATOM 484 CG ASP A 28 -4.707 12.678 10.008 1.00 0.00 C ATOM 485 OD1 ASP A 28 -5.225 13.783 10.002 1.00 0.00 O ATOM 486 OD2 ASP A 28 -3.779 12.364 10.736 1.00 0.00 O ATOM 0 H ASP A 28 -2.965 10.308 10.354 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.512 9.966 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.656 12.111 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.067 11.081 9.514 1.00 0.00 H new ATOM 491 N ILE A 29 -2.666 11.167 6.788 1.00 0.00 N ATOM 492 CA ILE A 29 -1.572 11.844 6.101 1.00 0.00 C ATOM 493 C ILE A 29 -2.052 12.370 4.752 1.00 0.00 C ATOM 494 O ILE A 29 -3.138 12.020 4.291 1.00 0.00 O ATOM 495 CB ILE A 29 -0.402 10.875 5.891 1.00 0.00 C ATOM 496 CG1 ILE A 29 -0.293 9.936 7.095 1.00 0.00 C ATOM 497 CG2 ILE A 29 0.906 11.660 5.744 1.00 0.00 C ATOM 498 CD1 ILE A 29 0.885 8.984 6.887 1.00 0.00 C ATOM 0 H ILE A 29 -3.165 10.485 6.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.236 12.680 6.714 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.579 10.294 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.153 10.513 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.217 9.370 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.733 10.965 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.835 12.328 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.082 12.246 6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.966 8.313 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.725 8.399 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.805 9.560 6.789 1.00 0.00 H new ATOM 510 N ASN A 30 -1.238 13.207 4.125 1.00 0.00 N ATOM 511 CA ASN A 30 -1.594 13.772 2.828 1.00 0.00 C ATOM 512 C ASN A 30 -0.342 14.135 2.039 1.00 0.00 C ATOM 513 O ASN A 30 -0.302 15.165 1.365 1.00 0.00 O ATOM 514 CB ASN A 30 -2.460 15.017 3.022 1.00 0.00 C ATOM 515 CG ASN A 30 -3.798 14.630 3.642 1.00 0.00 C ATOM 516 OD1 ASN A 30 -3.907 14.505 4.862 1.00 0.00 O ATOM 517 ND2 ASN A 30 -4.832 14.432 2.870 1.00 0.00 N ATOM 0 H ASN A 30 -0.334 13.509 4.488 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.155 13.024 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.945 15.732 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.623 15.510 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.731 14.174 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.741 14.536 1.859 1.00 0.00 H new ATOM 524 N ARG A 31 0.680 13.284 2.123 1.00 0.00 N ATOM 525 CA ARG A 31 1.927 13.533 1.404 1.00 0.00 C ATOM 526 C ARG A 31 2.427 12.259 0.728 1.00 0.00 C ATOM 527 O ARG A 31 2.873 11.318 1.392 1.00 0.00 O ATOM 528 CB ARG A 31 2.994 14.054 2.369 1.00 0.00 C ATOM 529 CG ARG A 31 4.193 14.588 1.578 1.00 0.00 C ATOM 530 CD ARG A 31 3.806 15.862 0.814 1.00 0.00 C ATOM 531 NE ARG A 31 2.842 16.649 1.577 1.00 0.00 N ATOM 532 CZ ARG A 31 2.009 17.492 0.972 1.00 0.00 C ATOM 533 NH1 ARG A 31 2.037 17.620 -0.327 1.00 0.00 N ATOM 534 NH2 ARG A 31 1.162 18.191 1.677 1.00 0.00 N ATOM 0 H ARG A 31 0.670 12.426 2.675 1.00 0.00 H new ATOM 0 HA ARG A 31 1.734 14.283 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.578 14.844 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.314 13.255 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.019 14.800 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.542 13.829 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.697 16.459 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.381 15.596 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 31 2.806 16.551 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.698 17.073 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.398 18.267 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.139 18.091 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.523 18.837 1.213 1.00 0.00 H new ATOM 548 N PHE A 32 2.351 12.242 -0.600 1.00 0.00 N ATOM 549 CA PHE A 32 2.797 11.088 -1.376 1.00 0.00 C ATOM 550 C PHE A 32 3.364 11.544 -2.718 1.00 0.00 C ATOM 551 O PHE A 32 3.195 12.700 -3.109 1.00 0.00 O ATOM 552 CB PHE A 32 1.623 10.137 -1.612 1.00 0.00 C ATOM 553 CG PHE A 32 0.453 10.916 -2.163 1.00 0.00 C ATOM 554 CD1 PHE A 32 0.375 11.183 -3.534 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.552 11.372 -1.302 1.00 0.00 C ATOM 556 CE1 PHE A 32 -0.708 11.907 -4.046 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.636 12.096 -1.814 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.714 12.364 -3.185 1.00 0.00 C ATOM 0 H PHE A 32 1.986 13.012 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 32 3.577 10.569 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.912 9.350 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.342 9.649 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.151 10.830 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.492 11.166 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.768 12.113 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.412 12.448 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.550 12.923 -3.579 1.00 0.00 H new ATOM 568 N VAL A 33 4.035 10.635 -3.421 1.00 0.00 N ATOM 569 CA VAL A 33 4.620 10.969 -4.718 1.00 0.00 C ATOM 570 C VAL A 33 4.477 9.817 -5.705 1.00 0.00 C ATOM 571 O VAL A 33 5.026 8.734 -5.503 1.00 0.00 O ATOM 572 CB VAL A 33 6.098 11.306 -4.575 1.00 0.00 C ATOM 573 CG1 VAL A 33 6.253 12.624 -3.814 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.823 10.186 -3.821 1.00 0.00 C ATOM 0 H VAL A 33 4.186 9.672 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 33 4.079 11.836 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 33 6.537 11.406 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.312 12.863 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.751 13.422 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.807 12.527 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.879 10.437 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.385 10.072 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.721 9.251 -4.372 1.00 0.00 H new ATOM 584 N PHE A 34 3.724 10.064 -6.765 1.00 0.00 N ATOM 585 CA PHE A 34 3.485 9.053 -7.793 1.00 0.00 C ATOM 586 C PHE A 34 3.825 9.608 -9.174 1.00 0.00 C ATOM 587 O PHE A 34 3.396 10.703 -9.537 1.00 0.00 O ATOM 588 CB PHE A 34 2.009 8.621 -7.740 1.00 0.00 C ATOM 589 CG PHE A 34 1.482 8.339 -9.132 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.312 8.968 -9.573 1.00 0.00 C ATOM 591 CD2 PHE A 34 2.159 7.449 -9.976 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.182 8.709 -10.858 1.00 0.00 C ATOM 593 CE2 PHE A 34 1.664 7.191 -11.260 1.00 0.00 C ATOM 594 CZ PHE A 34 0.493 7.821 -11.700 1.00 0.00 C ATOM 0 H PHE A 34 3.265 10.958 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 34 4.124 8.190 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.908 7.730 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.413 9.404 -7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.210 9.654 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.062 6.963 -9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.084 9.195 -11.198 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.186 6.506 -11.912 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.112 7.620 -12.690 1.00 0.00 H new ATOM 604 N LYS A 35 4.593 8.839 -9.940 1.00 0.00 N ATOM 605 CA LYS A 35 4.983 9.250 -11.285 1.00 0.00 C ATOM 606 C LYS A 35 4.701 8.132 -12.282 1.00 0.00 C ATOM 607 O LYS A 35 4.038 8.349 -13.295 1.00 0.00 O ATOM 608 CB LYS A 35 6.473 9.599 -11.316 1.00 0.00 C ATOM 609 CG LYS A 35 6.733 10.822 -10.431 1.00 0.00 C ATOM 610 CD LYS A 35 8.108 11.413 -10.756 1.00 0.00 C ATOM 611 CE LYS A 35 9.207 10.444 -10.314 1.00 0.00 C ATOM 612 NZ LYS A 35 8.964 10.021 -8.906 1.00 0.00 N ATOM 0 H LYS A 35 4.957 7.930 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 35 4.401 10.129 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.063 8.752 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.787 9.805 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.958 11.571 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.688 10.538 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.188 11.604 -11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.231 12.371 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.222 9.573 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.183 10.922 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.874 9.832 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.464 10.778 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.384 9.158 -8.898 1.00 0.00 H new ATOM 626 N ASN A 36 5.207 6.937 -11.982 1.00 0.00 N ATOM 627 CA ASN A 36 5.008 5.781 -12.855 1.00 0.00 C ATOM 628 C ASN A 36 6.003 4.677 -12.512 1.00 0.00 C ATOM 629 O ASN A 36 5.707 3.492 -12.665 1.00 0.00 O ATOM 630 CB ASN A 36 5.190 6.187 -14.320 1.00 0.00 C ATOM 631 CG ASN A 36 5.468 4.959 -15.184 1.00 0.00 C ATOM 632 OD1 ASN A 36 6.632 4.372 -15.111 1.00 0.00 O flip ATOM 633 ND2 ASN A 36 4.601 4.523 -15.941 1.00 0.00 N flip ATOM 0 H ASN A 36 5.756 6.744 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 36 3.994 5.410 -12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.294 6.695 -14.677 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.014 6.895 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.693 4.984 -15.996 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.791 3.701 -16.514 1.00 0.00 H new ATOM 640 N ASN A 37 7.186 5.075 -12.065 1.00 0.00 N ATOM 641 CA ASN A 37 8.222 4.111 -11.723 1.00 0.00 C ATOM 642 C ASN A 37 7.992 3.515 -10.344 1.00 0.00 C ATOM 643 O ASN A 37 8.029 2.298 -10.170 1.00 0.00 O ATOM 644 CB ASN A 37 9.596 4.782 -11.767 1.00 0.00 C ATOM 645 CG ASN A 37 10.693 3.733 -11.622 1.00 0.00 C ATOM 646 OD1 ASN A 37 10.441 2.541 -11.803 1.00 0.00 O ATOM 647 ND2 ASN A 37 11.903 4.107 -11.303 1.00 0.00 N ATOM 0 H ASN A 37 7.451 6.051 -11.931 1.00 0.00 H new ATOM 0 HA ASN A 37 8.182 3.305 -12.455 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.717 5.320 -12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.677 5.518 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.642 3.411 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.109 5.095 -11.154 1.00 0.00 H new ATOM 654 N VAL A 38 7.770 4.380 -9.370 1.00 0.00 N ATOM 655 CA VAL A 38 7.553 3.934 -7.993 1.00 0.00 C ATOM 656 C VAL A 38 6.688 4.921 -7.213 1.00 0.00 C ATOM 657 O VAL A 38 6.463 6.049 -7.649 1.00 0.00 O ATOM 658 CB VAL A 38 8.901 3.786 -7.284 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.684 3.273 -5.857 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.774 2.797 -8.055 1.00 0.00 C ATOM 0 H VAL A 38 7.734 5.391 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 38 7.034 2.976 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 38 9.396 4.757 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.647 3.170 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.064 3.980 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.187 2.304 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.735 2.690 -7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.276 1.828 -8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.934 3.166 -9.068 1.00 0.00 H new ATOM 670 N LEU A 39 6.211 4.476 -6.050 1.00 0.00 N ATOM 671 CA LEU A 39 5.373 5.309 -5.193 1.00 0.00 C ATOM 672 C LEU A 39 5.974 5.399 -3.789 1.00 0.00 C ATOM 673 O LEU A 39 6.244 4.377 -3.160 1.00 0.00 O ATOM 674 CB LEU A 39 3.963 4.700 -5.103 1.00 0.00 C ATOM 675 CG LEU A 39 2.969 5.531 -5.923 1.00 0.00 C ATOM 676 CD1 LEU A 39 3.186 5.279 -7.418 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.543 5.128 -5.547 1.00 0.00 C ATOM 0 H LEU A 39 6.392 3.542 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 39 5.317 6.310 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.979 3.674 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.642 4.661 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 39 3.125 6.589 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.476 5.873 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.202 5.563 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.034 4.222 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.833 5.717 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.396 4.069 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.382 5.310 -4.485 1.00 0.00 H new ATOM 689 N LEU A 40 6.176 6.624 -3.302 1.00 0.00 N ATOM 690 CA LEU A 40 6.743 6.826 -1.966 1.00 0.00 C ATOM 691 C LEU A 40 5.732 7.570 -1.095 1.00 0.00 C ATOM 692 O LEU A 40 4.952 8.383 -1.592 1.00 0.00 O ATOM 693 CB LEU A 40 8.053 7.630 -2.071 1.00 0.00 C ATOM 694 CG LEU A 40 9.214 6.870 -1.410 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.541 7.343 -2.009 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.218 7.142 0.099 1.00 0.00 C ATOM 0 H LEU A 40 5.958 7.484 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 40 6.963 5.860 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.286 7.819 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.928 8.601 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 40 9.090 5.802 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.364 6.804 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.545 7.150 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.660 8.412 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.042 6.601 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.339 8.211 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.275 6.807 0.532 1.00 0.00 H new ATOM 708 N ILE A 41 5.734 7.270 0.204 1.00 0.00 N ATOM 709 CA ILE A 41 4.788 7.904 1.121 1.00 0.00 C ATOM 710 C ILE A 41 5.434 8.236 2.465 1.00 0.00 C ATOM 711 O ILE A 41 6.218 7.453 3.007 1.00 0.00 O ATOM 712 CB ILE A 41 3.598 6.972 1.354 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.858 6.746 0.030 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.647 7.603 2.373 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.733 5.731 0.235 1.00 0.00 C ATOM 0 H ILE A 41 6.370 6.602 0.640 1.00 0.00 H new ATOM 0 HA ILE A 41 4.458 8.837 0.664 1.00 0.00 H new ATOM 0 HB ILE A 41 3.955 6.016 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.449 7.688 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.552 6.385 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.799 6.939 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.174 7.760 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.289 8.560 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.209 5.573 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.154 4.786 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.033 6.109 0.980 1.00 0.00 H new ATOM 727 N LEU A 42 5.092 9.409 2.992 1.00 0.00 N ATOM 728 CA LEU A 42 5.629 9.858 4.273 1.00 0.00 C ATOM 729 C LEU A 42 5.282 8.868 5.389 1.00 0.00 C ATOM 730 O LEU A 42 4.124 8.486 5.558 1.00 0.00 O ATOM 731 CB LEU A 42 5.056 11.242 4.611 1.00 0.00 C ATOM 732 CG LEU A 42 5.877 12.339 3.919 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.266 12.448 4.561 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.026 12.007 2.432 1.00 0.00 C ATOM 0 H LEU A 42 4.446 10.065 2.552 1.00 0.00 H new ATOM 0 HA LEU A 42 6.714 9.917 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.015 11.301 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.068 11.395 5.690 1.00 0.00 H new ATOM 0 HG LEU A 42 5.359 13.291 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.838 13.230 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.160 12.695 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.788 11.496 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.609 12.787 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.535 11.050 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.040 11.948 1.972 1.00 0.00 H new ATOM 746 N LEU A 43 6.300 8.463 6.147 1.00 0.00 N ATOM 747 CA LEU A 43 6.111 7.522 7.252 1.00 0.00 C ATOM 748 C LEU A 43 7.291 7.618 8.221 1.00 0.00 C ATOM 749 O LEU A 43 8.425 7.302 7.861 1.00 0.00 O ATOM 750 CB LEU A 43 5.997 6.094 6.707 1.00 0.00 C ATOM 751 CG LEU A 43 5.467 5.155 7.800 1.00 0.00 C ATOM 752 CD1 LEU A 43 3.990 5.458 8.091 1.00 0.00 C ATOM 753 CD2 LEU A 43 5.601 3.703 7.327 1.00 0.00 C ATOM 0 H LEU A 43 7.264 8.771 6.017 1.00 0.00 H new ATOM 0 HA LEU A 43 5.193 7.773 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.329 6.077 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.971 5.749 6.361 1.00 0.00 H new ATOM 0 HG LEU A 43 6.047 5.307 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.627 4.785 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.890 6.490 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.404 5.315 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.226 3.032 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.023 3.563 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.650 3.480 7.131 1.00 0.00 H new ATOM 765 N GLU A 44 7.022 8.078 9.443 1.00 0.00 N ATOM 766 CA GLU A 44 8.081 8.238 10.444 1.00 0.00 C ATOM 767 C GLU A 44 8.292 6.960 11.262 1.00 0.00 C ATOM 768 O GLU A 44 9.327 6.304 11.137 1.00 0.00 O ATOM 769 CB GLU A 44 7.748 9.406 11.385 1.00 0.00 C ATOM 770 CG GLU A 44 6.229 9.570 11.505 1.00 0.00 C ATOM 771 CD GLU A 44 5.888 10.356 12.767 1.00 0.00 C ATOM 772 OE1 GLU A 44 5.013 9.919 13.495 1.00 0.00 O ATOM 773 OE2 GLU A 44 6.508 11.384 12.987 1.00 0.00 O ATOM 0 H GLU A 44 6.091 8.344 9.763 1.00 0.00 H new ATOM 0 HA GLU A 44 9.007 8.450 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.181 9.225 12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.192 10.326 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.840 10.088 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.750 8.591 11.536 1.00 0.00 H new ATOM 780 N ASN A 45 7.322 6.627 12.113 1.00 0.00 N ATOM 781 CA ASN A 45 7.422 5.439 12.966 1.00 0.00 C ATOM 782 C ASN A 45 8.236 4.331 12.295 1.00 0.00 C ATOM 783 O ASN A 45 7.685 3.477 11.600 1.00 0.00 O ATOM 784 CB ASN A 45 6.021 4.917 13.301 1.00 0.00 C ATOM 785 CG ASN A 45 5.393 5.777 14.390 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.384 5.392 15.560 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.863 6.928 14.076 1.00 0.00 N ATOM 0 H ASN A 45 6.460 7.160 12.231 1.00 0.00 H new ATOM 0 HA ASN A 45 7.937 5.730 13.882 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.395 4.931 12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.080 3.880 13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.441 7.510 14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.871 7.246 13.107 1.00 0.00 H new ATOM 794 N GLU A 46 9.549 4.355 12.520 1.00 0.00 N ATOM 795 CA GLU A 46 10.449 3.355 11.944 1.00 0.00 C ATOM 796 C GLU A 46 9.802 1.972 11.937 1.00 0.00 C ATOM 797 O GLU A 46 9.960 1.211 10.981 1.00 0.00 O ATOM 798 CB GLU A 46 11.750 3.309 12.751 1.00 0.00 C ATOM 799 CG GLU A 46 12.604 2.125 12.289 1.00 0.00 C ATOM 800 CD GLU A 46 14.034 2.284 12.796 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.611 3.333 12.563 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.530 1.354 13.412 1.00 0.00 O ATOM 0 H GLU A 46 10.014 5.056 13.097 1.00 0.00 H new ATOM 0 HA GLU A 46 10.662 3.639 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.302 4.240 12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.527 3.216 13.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.179 1.193 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.600 2.066 11.201 1.00 0.00 H new ATOM 809 N PHE A 47 9.071 1.651 12.997 1.00 0.00 N ATOM 810 CA PHE A 47 8.409 0.356 13.077 1.00 0.00 C ATOM 811 C PHE A 47 7.373 0.236 11.965 1.00 0.00 C ATOM 812 O PHE A 47 7.515 -0.579 11.054 1.00 0.00 O ATOM 813 CB PHE A 47 7.729 0.196 14.438 1.00 0.00 C ATOM 814 CG PHE A 47 8.727 0.484 15.534 1.00 0.00 C ATOM 815 CD1 PHE A 47 9.426 -0.567 16.139 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.956 1.804 15.944 1.00 0.00 C ATOM 817 CE1 PHE A 47 10.352 -0.300 17.155 1.00 0.00 C ATOM 818 CE2 PHE A 47 9.882 2.071 16.959 1.00 0.00 C ATOM 819 CZ PHE A 47 10.581 1.019 17.564 1.00 0.00 C ATOM 0 H PHE A 47 8.923 2.260 13.802 1.00 0.00 H new ATOM 0 HA PHE A 47 9.155 -0.430 12.960 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.881 0.876 14.515 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.337 -0.816 14.544 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.251 -1.585 15.822 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.418 2.616 15.477 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.889 -1.112 17.623 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.058 3.088 17.276 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.297 1.225 18.346 1.00 0.00 H new ATOM 829 N ALA A 48 6.330 1.052 12.056 1.00 0.00 N ATOM 830 CA ALA A 48 5.260 1.043 11.062 1.00 0.00 C ATOM 831 C ALA A 48 5.802 0.789 9.657 1.00 0.00 C ATOM 832 O ALA A 48 5.117 0.212 8.813 1.00 0.00 O ATOM 833 CB ALA A 48 4.540 2.393 11.076 1.00 0.00 C ATOM 0 H ALA A 48 6.201 1.729 12.808 1.00 0.00 H new ATOM 0 HA ALA A 48 4.572 0.238 11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.741 2.387 10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.116 2.569 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.249 3.186 10.839 1.00 0.00 H new ATOM 839 N ARG A 49 7.029 1.243 9.411 1.00 0.00 N ATOM 840 CA ARG A 49 7.646 1.080 8.094 1.00 0.00 C ATOM 841 C ARG A 49 8.271 -0.303 7.937 1.00 0.00 C ATOM 842 O ARG A 49 8.310 -0.848 6.834 1.00 0.00 O ATOM 843 CB ARG A 49 8.726 2.152 7.875 1.00 0.00 C ATOM 844 CG ARG A 49 8.554 3.288 8.882 1.00 0.00 C ATOM 845 CD ARG A 49 9.345 4.511 8.416 1.00 0.00 C ATOM 846 NE ARG A 49 10.776 4.254 8.526 1.00 0.00 N ATOM 847 CZ ARG A 49 11.648 5.250 8.638 1.00 0.00 C ATOM 848 NH1 ARG A 49 11.228 6.485 8.650 1.00 0.00 N ATOM 849 NH2 ARG A 49 12.922 4.992 8.737 1.00 0.00 N ATOM 0 H ARG A 49 7.612 1.722 10.098 1.00 0.00 H new ATOM 0 HA ARG A 49 6.859 1.191 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.716 1.708 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.660 2.543 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.499 3.542 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.901 2.971 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.089 4.748 7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.076 5.379 9.018 1.00 0.00 H new ATOM 0 HE ARG A 49 11.114 3.292 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.231 6.685 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.897 7.250 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.249 4.026 8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.592 5.756 8.823 1.00 0.00 H new ATOM 863 N ASN A 50 8.766 -0.868 9.034 1.00 0.00 N ATOM 864 CA ASN A 50 9.390 -2.183 8.967 1.00 0.00 C ATOM 865 C ASN A 50 8.336 -3.255 8.721 1.00 0.00 C ATOM 866 O ASN A 50 8.641 -4.343 8.243 1.00 0.00 O ATOM 867 CB ASN A 50 10.140 -2.483 10.266 1.00 0.00 C ATOM 868 CG ASN A 50 11.082 -3.665 10.064 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.034 -4.344 8.950 1.00 0.00 O flip ATOM 870 ND2 ASN A 50 11.884 -3.978 10.944 1.00 0.00 N flip ATOM 0 H ASN A 50 8.748 -0.445 9.962 1.00 0.00 H new ATOM 0 HA ASN A 50 10.100 -2.186 8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.706 -1.606 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.430 -2.705 11.062 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.920 -3.446 11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.512 -4.769 10.803 1.00 0.00 H new ATOM 877 N SER A 51 7.095 -2.929 9.060 1.00 0.00 N ATOM 878 CA SER A 51 5.980 -3.855 8.886 1.00 0.00 C ATOM 879 C SER A 51 5.325 -3.678 7.518 1.00 0.00 C ATOM 880 O SER A 51 5.266 -4.612 6.719 1.00 0.00 O ATOM 881 CB SER A 51 4.940 -3.611 9.985 1.00 0.00 C ATOM 882 OG SER A 51 4.948 -4.710 10.887 1.00 0.00 O ATOM 0 H SER A 51 6.833 -2.027 9.459 1.00 0.00 H new ATOM 0 HA SER A 51 6.365 -4.873 8.953 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.165 -2.687 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.950 -3.493 9.546 1.00 0.00 H new ATOM 0 HG SER A 51 4.286 -4.558 11.593 1.00 0.00 H new ATOM 888 N LEU A 52 4.821 -2.477 7.268 1.00 0.00 N ATOM 889 CA LEU A 52 4.149 -2.182 6.006 1.00 0.00 C ATOM 890 C LEU A 52 4.986 -2.607 4.805 1.00 0.00 C ATOM 891 O LEU A 52 4.442 -3.022 3.783 1.00 0.00 O ATOM 892 CB LEU A 52 3.867 -0.685 5.905 1.00 0.00 C ATOM 893 CG LEU A 52 2.837 -0.277 6.959 1.00 0.00 C ATOM 894 CD1 LEU A 52 2.864 1.242 7.119 1.00 0.00 C ATOM 895 CD2 LEU A 52 1.436 -0.724 6.519 1.00 0.00 C ATOM 0 H LEU A 52 4.863 -1.693 7.919 1.00 0.00 H new ATOM 0 HA LEU A 52 3.217 -2.747 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.789 -0.122 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.497 -0.442 4.909 1.00 0.00 H new ATOM 0 HG LEU A 52 3.079 -0.753 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.132 1.542 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.858 1.557 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.621 1.713 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.707 -0.431 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.185 -0.252 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.420 -1.807 6.401 1.00 0.00 H new ATOM 907 N ASN A 53 6.299 -2.471 4.907 1.00 0.00 N ATOM 908 CA ASN A 53 7.162 -2.823 3.780 1.00 0.00 C ATOM 909 C ASN A 53 7.721 -4.244 3.879 1.00 0.00 C ATOM 910 O ASN A 53 8.223 -4.774 2.888 1.00 0.00 O ATOM 911 CB ASN A 53 8.322 -1.831 3.674 1.00 0.00 C ATOM 912 CG ASN A 53 9.122 -2.106 2.405 1.00 0.00 C ATOM 913 OD1 ASN A 53 8.545 -2.355 1.348 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.427 -2.076 2.447 1.00 0.00 N ATOM 0 H ASN A 53 6.786 -2.128 5.735 1.00 0.00 H new ATOM 0 HA ASN A 53 6.540 -2.777 2.886 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.940 -0.810 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.968 -1.917 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.969 -2.259 1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.904 -1.869 3.324 1.00 0.00 H new ATOM 921 N ASP A 54 7.647 -4.869 5.052 1.00 0.00 N ATOM 922 CA ASP A 54 8.173 -6.231 5.185 1.00 0.00 C ATOM 923 C ASP A 54 7.078 -7.256 4.908 1.00 0.00 C ATOM 924 O ASP A 54 7.352 -8.380 4.491 1.00 0.00 O ATOM 925 CB ASP A 54 8.739 -6.457 6.586 1.00 0.00 C ATOM 926 CG ASP A 54 9.237 -7.892 6.718 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.199 -8.413 7.821 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.649 -8.450 5.714 1.00 0.00 O ATOM 0 H ASP A 54 7.242 -4.473 5.900 1.00 0.00 H new ATOM 0 HA ASP A 54 8.973 -6.355 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.556 -5.760 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.972 -6.259 7.334 1.00 0.00 H new ATOM 933 N ASN A 55 5.836 -6.852 5.149 1.00 0.00 N ATOM 934 CA ASN A 55 4.694 -7.732 4.929 1.00 0.00 C ATOM 935 C ASN A 55 3.425 -6.912 4.731 1.00 0.00 C ATOM 936 O ASN A 55 2.782 -6.504 5.698 1.00 0.00 O ATOM 937 CB ASN A 55 4.521 -8.673 6.125 1.00 0.00 C ATOM 938 CG ASN A 55 4.749 -7.913 7.427 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.348 -6.675 7.530 1.00 0.00 O flip ATOM 940 ND2 ASN A 55 5.308 -8.461 8.378 1.00 0.00 N flip ATOM 0 H ASN A 55 5.594 -5.924 5.496 1.00 0.00 H new ATOM 0 HA ASN A 55 4.876 -8.322 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.520 -9.104 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.225 -9.502 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.621 -9.428 8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.458 -7.947 9.246 1.00 0.00 H new ATOM 947 N SER A 56 3.072 -6.670 3.474 1.00 0.00 N ATOM 948 CA SER A 56 1.881 -5.891 3.168 1.00 0.00 C ATOM 949 C SER A 56 1.438 -6.118 1.725 1.00 0.00 C ATOM 950 O SER A 56 0.325 -6.580 1.475 1.00 0.00 O ATOM 951 CB SER A 56 2.168 -4.407 3.394 1.00 0.00 C ATOM 952 OG SER A 56 0.941 -3.704 3.517 1.00 0.00 O ATOM 0 H SER A 56 3.588 -6.999 2.658 1.00 0.00 H new ATOM 0 HA SER A 56 1.076 -6.214 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.768 -4.274 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.748 -4.006 2.562 1.00 0.00 H new ATOM 0 HG SER A 56 0.668 -3.685 4.458 1.00 0.00 H new ATOM 958 N GLU A 57 2.314 -5.783 0.781 1.00 0.00 N ATOM 959 CA GLU A 57 2.005 -5.947 -0.636 1.00 0.00 C ATOM 960 C GLU A 57 0.941 -4.947 -1.073 1.00 0.00 C ATOM 961 O GLU A 57 -0.068 -5.320 -1.668 1.00 0.00 O ATOM 962 CB GLU A 57 1.520 -7.374 -0.915 1.00 0.00 C ATOM 963 CG GLU A 57 2.401 -8.375 -0.159 1.00 0.00 C ATOM 964 CD GLU A 57 2.367 -9.733 -0.854 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.143 -9.924 -1.776 1.00 0.00 O ATOM 966 OE2 GLU A 57 1.565 -10.561 -0.455 1.00 0.00 O ATOM 0 H GLU A 57 3.239 -5.398 0.971 1.00 0.00 H new ATOM 0 HA GLU A 57 2.916 -5.763 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.481 -7.483 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.556 -7.578 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.426 -8.007 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.052 -8.475 0.869 1.00 0.00 H new ATOM 973 N ILE A 58 1.179 -3.673 -0.780 1.00 0.00 N ATOM 974 CA ILE A 58 0.235 -2.626 -1.154 1.00 0.00 C ATOM 975 C ILE A 58 0.077 -2.577 -2.672 1.00 0.00 C ATOM 976 O ILE A 58 -0.691 -1.775 -3.203 1.00 0.00 O ATOM 977 CB ILE A 58 0.730 -1.273 -0.635 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.113 -1.401 0.843 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.374 -0.223 -0.782 1.00 0.00 C ATOM 980 CD1 ILE A 58 -0.066 -1.966 1.642 1.00 0.00 C ATOM 0 H ILE A 58 2.010 -3.342 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.735 -2.847 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 58 1.600 -0.965 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.980 -2.053 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.398 -0.426 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.015 0.737 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.647 -0.127 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.247 -0.531 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.215 -2.054 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.922 -1.297 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.331 -2.949 1.254 1.00 0.00 H new ATOM 992 N ILE A 59 0.806 -3.449 -3.365 1.00 0.00 N ATOM 993 CA ILE A 59 0.742 -3.509 -4.822 1.00 0.00 C ATOM 994 C ILE A 59 -0.379 -4.453 -5.256 1.00 0.00 C ATOM 995 O ILE A 59 -0.710 -4.546 -6.439 1.00 0.00 O ATOM 996 CB ILE A 59 2.091 -3.987 -5.375 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.936 -4.425 -6.838 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.597 -5.164 -4.541 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.317 -4.578 -7.486 1.00 0.00 C ATOM 0 H ILE A 59 1.446 -4.121 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 59 0.530 -2.516 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 59 2.807 -3.167 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.394 -5.370 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.347 -3.690 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.555 -5.503 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.721 -4.849 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.876 -5.980 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.199 -4.889 -8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.843 -3.624 -7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.892 -5.330 -6.945 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.963 -5.140 -4.280 1.00 0.00 N ATOM 1012 CA HIS A 60 -2.056 -6.074 -4.538 1.00 0.00 C ATOM 1013 C HIS A 60 -3.366 -5.323 -4.785 1.00 0.00 C ATOM 1014 O HIS A 60 -4.274 -5.846 -5.433 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.216 -7.019 -3.337 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.505 -8.318 -3.610 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -0.501 -8.799 -2.784 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -1.645 -9.248 -4.610 1.00 0.00 C ATOM 1019 CE1 HIS A 60 -0.080 -9.970 -3.296 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -0.744 -10.291 -4.409 1.00 0.00 N ATOM 0 H HIS A 60 -0.697 -5.068 -3.298 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.818 -6.652 -5.431 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.809 -6.553 -2.440 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.273 -7.206 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.347 -9.181 -5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.700 -10.576 -2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.618 -11.122 -4.988 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.460 -4.097 -4.275 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.668 -3.288 -4.457 1.00 0.00 C ATOM 1031 C LEU A 61 -4.368 -2.094 -5.357 1.00 0.00 C ATOM 1032 O LEU A 61 -5.162 -1.738 -6.227 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.190 -2.797 -3.098 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.548 -3.612 -1.971 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.098 -3.149 -1.757 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.353 -3.414 -0.680 1.00 0.00 C ATOM 0 H LEU A 61 -2.722 -3.643 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.433 -3.906 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.961 -1.739 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.275 -2.895 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.547 -4.668 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.645 -3.731 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.530 -3.294 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.089 -2.093 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.899 -3.993 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.355 -2.358 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.378 -3.751 -0.835 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.208 -1.490 -5.139 1.00 0.00 N ATOM 1049 CA ALA A 62 -2.784 -0.342 -5.930 1.00 0.00 C ATOM 1050 C ALA A 62 -2.742 -0.689 -7.415 1.00 0.00 C ATOM 1051 O ALA A 62 -2.753 0.196 -8.270 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.386 0.090 -5.486 1.00 0.00 C ATOM 0 H ALA A 62 -2.543 -1.776 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.501 0.465 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.066 0.949 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.407 0.362 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.687 -0.733 -5.634 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.671 -1.982 -7.714 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.599 -2.432 -9.100 1.00 0.00 C ATOM 1060 C GLU A 63 -3.929 -2.242 -9.821 1.00 0.00 C ATOM 1061 O GLU A 63 -4.024 -2.476 -11.026 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.192 -3.908 -9.149 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.155 -4.745 -8.291 1.00 0.00 C ATOM 1064 CD GLU A 63 -4.168 -5.462 -9.179 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -4.015 -6.656 -9.374 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -5.080 -4.805 -9.652 1.00 0.00 O ATOM 0 H GLU A 63 -2.662 -2.731 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.849 -1.826 -9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.206 -4.264 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.171 -4.025 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.593 -5.474 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.675 -4.101 -7.582 1.00 0.00 H new ATOM 1073 N SER A 64 -4.955 -1.813 -9.089 1.00 0.00 N ATOM 1074 CA SER A 64 -6.266 -1.597 -9.698 1.00 0.00 C ATOM 1075 C SER A 64 -6.472 -0.116 -9.998 1.00 0.00 C ATOM 1076 O SER A 64 -7.086 0.241 -11.003 1.00 0.00 O ATOM 1077 CB SER A 64 -7.373 -2.105 -8.774 1.00 0.00 C ATOM 1078 OG SER A 64 -7.085 -3.442 -8.387 1.00 0.00 O ATOM 0 H SER A 64 -4.907 -1.611 -8.090 1.00 0.00 H new ATOM 0 HA SER A 64 -6.309 -2.154 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.448 -1.467 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.336 -2.061 -9.283 1.00 0.00 H new ATOM 0 HG SER A 64 -6.358 -3.794 -8.942 1.00 0.00 H new ATOM 1084 N LEU A 65 -5.940 0.741 -9.132 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.060 2.182 -9.330 1.00 0.00 C ATOM 1086 C LEU A 65 -4.886 2.689 -10.161 1.00 0.00 C ATOM 1087 O LEU A 65 -5.025 3.617 -10.958 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.080 2.902 -7.978 1.00 0.00 C ATOM 1089 CG LEU A 65 -6.521 4.361 -8.173 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.049 4.451 -8.144 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -5.946 5.224 -7.048 1.00 0.00 C ATOM 0 H LEU A 65 -5.427 0.467 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.992 2.387 -9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.761 2.394 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.090 2.869 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.155 4.718 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.355 5.488 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.465 3.840 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.417 4.090 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.259 6.259 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.311 4.860 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.858 5.169 -7.067 1.00 0.00 H new ATOM 1103 N TYR A 66 -3.728 2.064 -9.966 1.00 0.00 N ATOM 1104 CA TYR A 66 -2.518 2.440 -10.693 1.00 0.00 C ATOM 1105 C TYR A 66 -2.016 1.260 -11.520 1.00 0.00 C ATOM 1106 O TYR A 66 -1.522 0.274 -10.972 1.00 0.00 O ATOM 1107 CB TYR A 66 -1.424 2.851 -9.705 1.00 0.00 C ATOM 1108 CG TYR A 66 -1.774 4.169 -9.055 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.840 5.337 -9.825 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.021 4.225 -7.677 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.153 6.558 -9.218 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -2.334 5.446 -7.071 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.400 6.613 -7.841 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.708 7.817 -7.243 1.00 0.00 O ATOM 0 H TYR A 66 -3.602 1.294 -9.310 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.754 3.275 -11.352 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.305 2.082 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.469 2.936 -10.224 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.649 5.295 -10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.970 3.325 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.204 7.459 -9.812 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.525 5.488 -6.009 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.851 7.679 -6.283 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.144 1.362 -12.839 1.00 0.00 N ATOM 1125 CA GLU A 67 -1.697 0.290 -13.723 1.00 0.00 C ATOM 1126 C GLU A 67 -0.204 0.409 -14.008 1.00 0.00 C ATOM 1127 O GLU A 67 0.259 1.424 -14.528 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.471 0.343 -15.042 1.00 0.00 C ATOM 1129 CG GLU A 67 -3.965 0.156 -14.771 1.00 0.00 C ATOM 1130 CD GLU A 67 -4.736 0.158 -16.086 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -5.161 1.224 -16.499 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -4.889 -0.906 -16.663 1.00 0.00 O ATOM 0 H GLU A 67 -2.549 2.167 -13.316 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.885 -0.661 -13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.298 1.298 -15.538 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.114 -0.435 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.133 -0.783 -14.243 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.329 0.955 -14.125 1.00 0.00 H new ATOM 1139 N GLY A 68 0.545 -0.639 -13.669 1.00 0.00 N ATOM 1140 CA GLY A 68 1.988 -0.648 -13.899 1.00 0.00 C ATOM 1141 C GLY A 68 2.756 -0.456 -12.595 1.00 0.00 C ATOM 1142 O GLY A 68 3.947 -0.148 -12.609 1.00 0.00 O ATOM 0 H GLY A 68 0.179 -1.488 -13.237 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.279 -1.592 -14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.252 0.144 -14.600 1.00 0.00 H new ATOM 1146 N ILE A 69 2.070 -0.637 -11.472 1.00 0.00 N ATOM 1147 CA ILE A 69 2.705 -0.479 -10.170 1.00 0.00 C ATOM 1148 C ILE A 69 3.872 -1.448 -10.012 1.00 0.00 C ATOM 1149 O ILE A 69 3.704 -2.664 -10.111 1.00 0.00 O ATOM 1150 CB ILE A 69 1.678 -0.723 -9.062 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.704 0.463 -8.999 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.392 -0.880 -7.714 1.00 0.00 C ATOM 1153 CD1 ILE A 69 1.267 1.562 -8.088 1.00 0.00 C ATOM 0 H ILE A 69 1.083 -0.891 -11.437 1.00 0.00 H new ATOM 0 HA ILE A 69 3.090 0.538 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 69 1.124 -1.637 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.538 0.860 -10.000 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.263 0.129 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.655 -1.053 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.077 -1.726 -7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.952 0.028 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.568 2.398 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.410 1.164 -7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.223 1.906 -8.481 1.00 0.00 H new ATOM 1165 N LYS A 70 5.050 -0.897 -9.750 1.00 0.00 N ATOM 1166 CA LYS A 70 6.245 -1.709 -9.559 1.00 0.00 C ATOM 1167 C LYS A 70 6.340 -2.160 -8.107 1.00 0.00 C ATOM 1168 O LYS A 70 6.813 -3.257 -7.814 1.00 0.00 O ATOM 1169 CB LYS A 70 7.490 -0.890 -9.922 1.00 0.00 C ATOM 1170 CG LYS A 70 7.760 -0.986 -11.430 1.00 0.00 C ATOM 1171 CD LYS A 70 8.633 -2.210 -11.720 1.00 0.00 C ATOM 1172 CE LYS A 70 8.908 -2.300 -13.221 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.834 -3.439 -13.488 1.00 0.00 N ATOM 0 H LYS A 70 5.204 0.108 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 70 6.185 -2.585 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.346 0.152 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.352 -1.258 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.818 -1.062 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.258 -0.081 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.572 -2.137 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.133 -3.116 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.974 -2.441 -13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.347 -1.368 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.022 -3.502 -14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.728 -3.286 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.398 -4.325 -13.161 1.00 0.00 H new ATOM 1187 N SER A 71 5.883 -1.297 -7.204 1.00 0.00 N ATOM 1188 CA SER A 71 5.914 -1.598 -5.778 1.00 0.00 C ATOM 1189 C SER A 71 5.466 -0.381 -4.972 1.00 0.00 C ATOM 1190 O SER A 71 4.999 0.609 -5.535 1.00 0.00 O ATOM 1191 CB SER A 71 7.331 -2.003 -5.363 1.00 0.00 C ATOM 1192 OG SER A 71 7.476 -1.846 -3.958 1.00 0.00 O ATOM 0 H SER A 71 5.488 -0.386 -7.435 1.00 0.00 H new ATOM 0 HA SER A 71 5.231 -2.424 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.522 -3.038 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.064 -1.389 -5.886 1.00 0.00 H new ATOM 0 HG SER A 71 8.382 -2.107 -3.692 1.00 0.00 H new ATOM 1198 N VAL A 72 5.625 -0.458 -3.656 1.00 0.00 N ATOM 1199 CA VAL A 72 5.248 0.646 -2.779 1.00 0.00 C ATOM 1200 C VAL A 72 6.240 0.758 -1.628 1.00 0.00 C ATOM 1201 O VAL A 72 6.714 -0.247 -1.100 1.00 0.00 O ATOM 1202 CB VAL A 72 3.832 0.437 -2.242 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.390 1.676 -1.462 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.877 0.204 -3.416 1.00 0.00 C ATOM 0 H VAL A 72 6.011 -1.270 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 72 5.267 1.573 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 72 3.817 -0.429 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.380 1.525 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.072 1.843 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.402 2.544 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.866 0.054 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.893 1.071 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.191 -0.680 -3.971 1.00 0.00 H new ATOM 1214 N ASN A 73 6.571 1.995 -1.267 1.00 0.00 N ATOM 1215 CA ASN A 73 7.537 2.244 -0.201 1.00 0.00 C ATOM 1216 C ASN A 73 7.127 3.436 0.661 1.00 0.00 C ATOM 1217 O ASN A 73 6.371 4.307 0.230 1.00 0.00 O ATOM 1218 CB ASN A 73 8.907 2.525 -0.823 1.00 0.00 C ATOM 1219 CG ASN A 73 10.004 2.352 0.223 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.371 3.310 0.903 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.550 1.180 0.392 1.00 0.00 N ATOM 0 H ASN A 73 6.186 2.837 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 73 7.576 1.360 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.081 1.848 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.932 3.539 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.284 1.055 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.243 0.388 -0.173 1.00 0.00 H new ATOM 1228 N PHE A 74 7.655 3.462 1.882 1.00 0.00 N ATOM 1229 CA PHE A 74 7.375 4.543 2.824 1.00 0.00 C ATOM 1230 C PHE A 74 8.604 4.762 3.707 1.00 0.00 C ATOM 1231 O PHE A 74 9.251 3.800 4.120 1.00 0.00 O ATOM 1232 CB PHE A 74 6.153 4.201 3.697 1.00 0.00 C ATOM 1233 CG PHE A 74 5.443 2.980 3.149 1.00 0.00 C ATOM 1234 CD1 PHE A 74 6.110 1.751 3.091 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.118 3.078 2.704 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.454 0.621 2.589 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.463 1.948 2.202 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.131 0.720 2.144 1.00 0.00 C ATOM 0 H PHE A 74 8.282 2.743 2.244 1.00 0.00 H new ATOM 0 HA PHE A 74 7.150 5.454 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.471 4.016 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.467 5.048 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.131 1.674 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.602 4.026 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.969 -0.327 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.442 2.024 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.625 -0.152 1.756 1.00 0.00 H new ATOM 1248 N VAL A 75 8.935 6.022 3.987 1.00 0.00 N ATOM 1249 CA VAL A 75 10.109 6.316 4.813 1.00 0.00 C ATOM 1250 C VAL A 75 9.925 7.603 5.611 1.00 0.00 C ATOM 1251 O VAL A 75 8.827 8.153 5.679 1.00 0.00 O ATOM 1252 CB VAL A 75 11.348 6.449 3.926 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.541 5.170 3.110 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.167 7.636 2.979 1.00 0.00 C ATOM 0 H VAL A 75 8.421 6.841 3.663 1.00 0.00 H new ATOM 0 HA VAL A 75 10.235 5.491 5.514 1.00 0.00 H new ATOM 0 HB VAL A 75 12.225 6.610 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.425 5.270 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.670 4.324 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.665 5.003 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.048 7.734 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.288 7.473 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.035 8.549 3.560 1.00 0.00 H new ATOM 1264 N ASN A 76 11.015 8.076 6.215 1.00 0.00 N ATOM 1265 CA ASN A 76 10.972 9.298 7.012 1.00 0.00 C ATOM 1266 C ASN A 76 10.987 10.533 6.114 1.00 0.00 C ATOM 1267 O ASN A 76 11.369 10.466 4.946 1.00 0.00 O ATOM 1268 CB ASN A 76 12.160 9.350 7.984 1.00 0.00 C ATOM 1269 CG ASN A 76 13.279 8.431 7.502 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.376 7.285 7.940 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.138 8.870 6.623 1.00 0.00 N ATOM 0 H ASN A 76 11.933 7.633 6.167 1.00 0.00 H new ATOM 0 HA ASN A 76 10.044 9.292 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.529 10.373 8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.837 9.049 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.891 8.263 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.057 9.820 6.261 1.00 0.00 H new ATOM 1278 N GLU A 77 10.548 11.652 6.675 1.00 0.00 N ATOM 1279 CA GLU A 77 10.485 12.909 5.938 1.00 0.00 C ATOM 1280 C GLU A 77 11.816 13.250 5.267 1.00 0.00 C ATOM 1281 O GLU A 77 11.833 13.893 4.217 1.00 0.00 O ATOM 1282 CB GLU A 77 10.089 14.040 6.888 1.00 0.00 C ATOM 1283 CG GLU A 77 10.871 13.902 8.196 1.00 0.00 C ATOM 1284 CD GLU A 77 10.733 15.176 9.022 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.318 15.231 10.091 1.00 0.00 O ATOM 1286 OE2 GLU A 77 10.044 16.078 8.574 1.00 0.00 O ATOM 0 H GLU A 77 10.229 11.716 7.642 1.00 0.00 H new ATOM 0 HA GLU A 77 9.738 12.794 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.296 15.006 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.018 14.005 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.499 13.049 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.922 13.709 7.982 1.00 0.00 H new ATOM 1293 N GLN A 78 12.927 12.831 5.864 1.00 0.00 N ATOM 1294 CA GLN A 78 14.232 13.133 5.280 1.00 0.00 C ATOM 1295 C GLN A 78 14.517 12.207 4.102 1.00 0.00 C ATOM 1296 O GLN A 78 14.761 12.668 2.986 1.00 0.00 O ATOM 1297 CB GLN A 78 15.337 12.995 6.329 1.00 0.00 C ATOM 1298 CG GLN A 78 15.199 14.105 7.374 1.00 0.00 C ATOM 1299 CD GLN A 78 15.985 13.740 8.628 1.00 0.00 C ATOM 1300 OE1 GLN A 78 15.805 12.654 9.181 1.00 0.00 O ATOM 1301 NE2 GLN A 78 16.852 14.585 9.114 1.00 0.00 N ATOM 0 H GLN A 78 12.954 12.294 6.731 1.00 0.00 H new ATOM 0 HA GLN A 78 14.214 14.163 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.274 12.019 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.315 13.052 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.565 15.047 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.148 14.253 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.000 15.484 8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.382 14.347 9.953 1.00 0.00 H new ATOM 1310 N ASP A 79 14.478 10.904 4.349 1.00 0.00 N ATOM 1311 CA ASP A 79 14.727 9.938 3.287 1.00 0.00 C ATOM 1312 C ASP A 79 13.779 10.192 2.120 1.00 0.00 C ATOM 1313 O ASP A 79 14.206 10.301 0.970 1.00 0.00 O ATOM 1314 CB ASP A 79 14.530 8.516 3.814 1.00 0.00 C ATOM 1315 CG ASP A 79 14.689 7.508 2.680 1.00 0.00 C ATOM 1316 OD1 ASP A 79 14.558 6.325 2.943 1.00 0.00 O ATOM 1317 OD2 ASP A 79 14.941 7.935 1.564 1.00 0.00 O ATOM 0 H ASP A 79 14.279 10.496 5.262 1.00 0.00 H new ATOM 0 HA ASP A 79 15.755 10.050 2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.256 8.308 4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.540 8.419 4.260 1.00 0.00 H new ATOM 1322 N PHE A 80 12.489 10.302 2.424 1.00 0.00 N ATOM 1323 CA PHE A 80 11.490 10.559 1.395 1.00 0.00 C ATOM 1324 C PHE A 80 11.890 11.782 0.575 1.00 0.00 C ATOM 1325 O PHE A 80 11.782 11.781 -0.651 1.00 0.00 O ATOM 1326 CB PHE A 80 10.122 10.794 2.050 1.00 0.00 C ATOM 1327 CG PHE A 80 9.248 11.626 1.138 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.327 11.003 0.288 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.361 13.022 1.144 1.00 0.00 C ATOM 1330 CE1 PHE A 80 7.520 11.776 -0.556 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.553 13.794 0.301 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.632 13.171 -0.549 1.00 0.00 C ATOM 0 H PHE A 80 12.114 10.218 3.369 1.00 0.00 H new ATOM 0 HA PHE A 80 11.427 9.695 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.640 9.839 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.250 11.301 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.239 9.927 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.072 13.503 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.810 11.295 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.640 14.870 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.008 13.766 -1.199 1.00 0.00 H new ATOM 1342 N PHE A 81 12.353 12.824 1.260 1.00 0.00 N ATOM 1343 CA PHE A 81 12.766 14.046 0.581 1.00 0.00 C ATOM 1344 C PHE A 81 14.106 13.850 -0.119 1.00 0.00 C ATOM 1345 O PHE A 81 14.505 14.667 -0.948 1.00 0.00 O ATOM 1346 CB PHE A 81 12.880 15.197 1.582 1.00 0.00 C ATOM 1347 CG PHE A 81 12.888 16.507 0.830 1.00 0.00 C ATOM 1348 CD1 PHE A 81 11.679 17.126 0.488 1.00 0.00 C ATOM 1349 CD2 PHE A 81 14.104 17.100 0.468 1.00 0.00 C ATOM 1350 CE1 PHE A 81 11.686 18.336 -0.215 1.00 0.00 C ATOM 1351 CE2 PHE A 81 14.110 18.311 -0.235 1.00 0.00 C ATOM 1352 CZ PHE A 81 12.902 18.930 -0.577 1.00 0.00 C ATOM 0 H PHE A 81 12.451 12.846 2.275 1.00 0.00 H new ATOM 0 HA PHE A 81 12.009 14.288 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.045 15.170 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.792 15.095 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.741 16.669 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 81 15.037 16.623 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.753 18.812 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.048 18.768 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.907 19.864 -1.119 1.00 0.00 H new ATOM 1362 N PHE A 82 14.797 12.760 0.208 1.00 0.00 N ATOM 1363 CA PHE A 82 16.085 12.480 -0.416 1.00 0.00 C ATOM 1364 C PHE A 82 15.870 12.008 -1.847 1.00 0.00 C ATOM 1365 O PHE A 82 16.617 12.377 -2.754 1.00 0.00 O ATOM 1366 CB PHE A 82 16.836 11.406 0.374 1.00 0.00 C ATOM 1367 CG PHE A 82 18.283 11.386 -0.056 1.00 0.00 C ATOM 1368 CD1 PHE A 82 18.705 10.495 -1.051 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.203 12.258 0.538 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.047 10.478 -1.451 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.544 12.241 0.137 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.966 11.350 -0.858 1.00 0.00 C ATOM 0 H PHE A 82 14.492 12.067 0.891 1.00 0.00 H new ATOM 0 HA PHE A 82 16.680 13.394 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.766 11.609 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.381 10.430 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 82 17.996 9.822 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.878 12.944 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 82 20.373 9.791 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 82 21.253 12.915 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.001 11.336 -1.167 1.00 0.00 H new ATOM 1382 N ASN A 83 14.834 11.200 -2.040 1.00 0.00 N ATOM 1383 CA ASN A 83 14.516 10.692 -3.368 1.00 0.00 C ATOM 1384 C ASN A 83 13.994 11.823 -4.247 1.00 0.00 C ATOM 1385 O ASN A 83 14.227 11.846 -5.456 1.00 0.00 O ATOM 1386 CB ASN A 83 13.461 9.589 -3.266 1.00 0.00 C ATOM 1387 CG ASN A 83 13.186 9.003 -4.646 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.780 7.993 -5.023 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.314 9.579 -5.427 1.00 0.00 N ATOM 0 H ASN A 83 14.205 10.885 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 83 15.421 10.281 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.806 8.806 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.541 9.992 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.124 9.192 -6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.823 10.416 -5.113 1.00 0.00 H new ATOM 1396 N LEU A 84 13.291 12.764 -3.624 1.00 0.00 N ATOM 1397 CA LEU A 84 12.740 13.906 -4.342 1.00 0.00 C ATOM 1398 C LEU A 84 13.859 14.877 -4.702 1.00 0.00 C ATOM 1399 O LEU A 84 13.701 15.734 -5.572 1.00 0.00 O ATOM 1400 CB LEU A 84 11.701 14.611 -3.462 1.00 0.00 C ATOM 1401 CG LEU A 84 10.973 15.693 -4.267 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.116 15.046 -5.363 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.074 16.500 -3.327 1.00 0.00 C ATOM 0 H LEU A 84 13.090 12.757 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 84 12.261 13.561 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.982 13.885 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.190 15.058 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 84 11.707 16.350 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.603 15.823 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.755 14.471 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.380 14.384 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.554 17.271 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.344 15.837 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.683 16.968 -2.553 1.00 0.00 H new ATOM 1415 N ALA A 85 14.993 14.728 -4.026 1.00 0.00 N ATOM 1416 CA ALA A 85 16.140 15.590 -4.275 1.00 0.00 C ATOM 1417 C ALA A 85 16.958 15.071 -5.455 1.00 0.00 C ATOM 1418 O ALA A 85 17.589 15.847 -6.173 1.00 0.00 O ATOM 1419 CB ALA A 85 17.025 15.651 -3.029 1.00 0.00 C ATOM 0 H ALA A 85 15.141 14.022 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 85 15.774 16.589 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.881 16.297 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.450 16.050 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.375 14.649 -2.782 1.00 0.00 H new ATOM 1425 N LYS A 86 16.947 13.756 -5.647 1.00 0.00 N ATOM 1426 CA LYS A 86 17.695 13.143 -6.740 1.00 0.00 C ATOM 1427 C LYS A 86 17.525 13.939 -8.031 1.00 0.00 C ATOM 1428 O LYS A 86 18.508 14.318 -8.669 1.00 0.00 O ATOM 1429 CB LYS A 86 17.211 11.708 -6.962 1.00 0.00 C ATOM 1430 CG LYS A 86 18.125 11.014 -7.976 1.00 0.00 C ATOM 1431 CD LYS A 86 17.753 9.529 -8.076 1.00 0.00 C ATOM 1432 CE LYS A 86 18.476 8.731 -6.984 1.00 0.00 C ATOM 1433 NZ LYS A 86 17.643 7.559 -6.594 1.00 0.00 N ATOM 0 H LYS A 86 16.432 13.097 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 86 18.751 13.138 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.214 11.161 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.183 11.711 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.029 11.489 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.167 11.118 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.675 9.408 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.024 9.143 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 86 19.448 8.396 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.660 9.365 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.132 7.017 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.726 7.890 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.489 6.951 -7.424 1.00 0.00 H new ATOM 1447 N LEU A 87 16.274 14.179 -8.413 1.00 0.00 N ATOM 1448 CA LEU A 87 15.981 14.925 -9.634 1.00 0.00 C ATOM 1449 C LEU A 87 16.999 16.045 -9.847 1.00 0.00 C ATOM 1450 O LEU A 87 16.951 17.076 -9.176 1.00 0.00 O ATOM 1451 CB LEU A 87 14.570 15.517 -9.553 1.00 0.00 C ATOM 1452 CG LEU A 87 13.539 14.451 -9.934 1.00 0.00 C ATOM 1453 CD1 LEU A 87 13.668 13.250 -8.993 1.00 0.00 C ATOM 1454 CD2 LEU A 87 12.133 15.042 -9.814 1.00 0.00 C ATOM 0 H LEU A 87 15.450 13.870 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 87 16.042 14.239 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.375 15.880 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.486 16.373 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 87 13.715 14.126 -10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.933 12.493 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.670 12.829 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.493 13.572 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.396 14.286 -10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.961 15.366 -8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.039 15.896 -10.484 1.00 0.00 H new ATOM 1466 N GLU A 88 17.917 15.831 -10.784 1.00 0.00 N ATOM 1467 CA GLU A 88 18.944 16.825 -11.079 1.00 0.00 C ATOM 1468 C GLU A 88 18.320 18.080 -11.683 1.00 0.00 C ATOM 1469 O GLU A 88 17.184 18.055 -12.154 1.00 0.00 O ATOM 1470 CB GLU A 88 19.967 16.242 -12.055 1.00 0.00 C ATOM 1471 CG GLU A 88 20.405 14.860 -11.568 1.00 0.00 C ATOM 1472 CD GLU A 88 21.483 14.297 -12.489 1.00 0.00 C ATOM 1473 OE1 GLU A 88 21.143 13.899 -13.591 1.00 0.00 O ATOM 1474 OE2 GLU A 88 22.631 14.271 -12.078 1.00 0.00 O ATOM 0 H GLU A 88 17.971 14.984 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 88 19.441 17.094 -10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.533 16.167 -13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.830 16.903 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.786 14.929 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.549 14.186 -11.543 1.00 0.00 H new ATOM 1481 N GLU A 89 19.074 19.176 -11.663 1.00 0.00 N ATOM 1482 CA GLU A 89 18.588 20.440 -12.210 1.00 0.00 C ATOM 1483 C GLU A 89 19.709 21.175 -12.937 1.00 0.00 C ATOM 1484 O GLU A 89 19.628 22.383 -13.164 1.00 0.00 O ATOM 1485 CB GLU A 89 18.041 21.324 -11.086 1.00 0.00 C ATOM 1486 CG GLU A 89 19.096 21.473 -9.985 1.00 0.00 C ATOM 1487 CD GLU A 89 20.171 22.462 -10.421 1.00 0.00 C ATOM 1488 OE1 GLU A 89 21.329 22.079 -10.442 1.00 0.00 O ATOM 1489 OE2 GLU A 89 19.820 23.590 -10.729 1.00 0.00 O ATOM 0 H GLU A 89 20.017 19.215 -11.277 1.00 0.00 H new ATOM 0 HA GLU A 89 17.790 20.222 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.772 22.304 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.132 20.885 -10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.626 21.818 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.547 20.505 -9.769 1.00 0.00 H new ATOM 1496 N ASN A 90 20.756 20.441 -13.300 1.00 0.00 N ATOM 1497 CA ASN A 90 21.888 21.037 -14.001 1.00 0.00 C ATOM 1498 C ASN A 90 21.449 21.592 -15.354 1.00 0.00 C ATOM 1499 O ASN A 90 20.483 22.351 -15.439 1.00 0.00 O ATOM 1500 CB ASN A 90 22.984 19.989 -14.206 1.00 0.00 C ATOM 1501 CG ASN A 90 22.488 18.889 -15.138 1.00 0.00 C ATOM 1502 OD1 ASN A 90 23.022 18.716 -16.234 1.00 0.00 O ATOM 1503 ND2 ASN A 90 21.492 18.132 -14.768 1.00 0.00 N ATOM 0 H ASN A 90 20.844 19.441 -13.122 1.00 0.00 H new ATOM 0 HA ASN A 90 22.277 21.856 -13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 90 23.873 20.459 -14.626 1.00 0.00 H new ATOM 0 HB3 ASN A 90 23.273 19.561 -13.246 1.00 0.00 H new ATOM 0 HD21 ASN A 90 21.154 17.395 -15.387 1.00 0.00 H new ATOM 0 HD22 ASN A 90 21.051 18.277 -13.860 1.00 0.00 H new ATOM 1510 N SER A 91 22.163 21.210 -16.408 1.00 0.00 N ATOM 1511 CA SER A 91 21.837 21.676 -17.751 1.00 0.00 C ATOM 1512 C SER A 91 22.360 20.696 -18.796 1.00 0.00 C ATOM 1513 O SER A 91 22.490 19.501 -18.530 1.00 0.00 O ATOM 1514 CB SER A 91 22.449 23.057 -17.988 1.00 0.00 C ATOM 1515 OG SER A 91 21.766 23.696 -19.058 1.00 0.00 O ATOM 0 H SER A 91 22.966 20.583 -16.359 1.00 0.00 H new ATOM 0 HA SER A 91 20.753 21.742 -17.841 1.00 0.00 H new ATOM 0 HB2 SER A 91 22.376 23.660 -17.083 1.00 0.00 H new ATOM 0 HB3 SER A 91 23.509 22.962 -18.223 1.00 0.00 H new ATOM 0 HG SER A 91 21.063 23.104 -19.397 1.00 0.00 H new ATOM 1521 N ARG A 92 22.661 21.207 -19.985 1.00 0.00 N ATOM 1522 CA ARG A 92 23.171 20.364 -21.059 1.00 0.00 C ATOM 1523 C ARG A 92 24.643 20.036 -20.828 1.00 0.00 C ATOM 1524 O ARG A 92 25.515 20.500 -21.562 1.00 0.00 O ATOM 1525 CB ARG A 92 23.009 21.074 -22.404 1.00 0.00 C ATOM 1526 CG ARG A 92 21.577 21.602 -22.537 1.00 0.00 C ATOM 1527 CD ARG A 92 20.590 20.431 -22.523 1.00 0.00 C ATOM 1528 NE ARG A 92 20.286 20.041 -21.151 1.00 0.00 N ATOM 1529 CZ ARG A 92 19.234 19.276 -20.873 1.00 0.00 C ATOM 1530 NH1 ARG A 92 18.452 18.868 -21.835 1.00 0.00 N ATOM 1531 NH2 ARG A 92 18.983 18.936 -19.638 1.00 0.00 N ATOM 0 H ARG A 92 22.562 22.193 -20.228 1.00 0.00 H new ATOM 0 HA ARG A 92 22.600 19.436 -21.069 1.00 0.00 H new ATOM 0 HB2 ARG A 92 23.719 21.897 -22.480 1.00 0.00 H new ATOM 0 HB3 ARG A 92 23.231 20.385 -23.219 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.355 22.287 -21.719 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.472 22.167 -23.463 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.673 20.714 -23.040 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.012 19.584 -23.064 1.00 0.00 H new ATOM 0 HE ARG A 92 20.889 20.360 -20.393 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.648 19.136 -22.800 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.645 18.281 -21.622 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.593 19.257 -18.887 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.176 18.349 -19.424 1.00 0.00 H new ATOM 1545 N ASP A 93 24.910 19.233 -19.803 1.00 0.00 N ATOM 1546 CA ASP A 93 26.280 18.848 -19.481 1.00 0.00 C ATOM 1547 C ASP A 93 26.295 17.556 -18.670 1.00 0.00 C ATOM 1548 O ASP A 93 27.356 16.992 -18.403 1.00 0.00 O ATOM 1549 CB ASP A 93 26.964 19.960 -18.685 1.00 0.00 C ATOM 1550 CG ASP A 93 28.457 19.676 -18.572 1.00 0.00 C ATOM 1551 OD1 ASP A 93 29.194 20.147 -19.423 1.00 0.00 O ATOM 1552 OD2 ASP A 93 28.842 18.992 -17.639 1.00 0.00 O ATOM 0 H ASP A 93 24.201 18.838 -19.185 1.00 0.00 H new ATOM 0 HA ASP A 93 26.820 18.686 -20.414 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.804 20.921 -19.175 1.00 0.00 H new ATOM 0 HB3 ASP A 93 26.523 20.032 -17.691 1.00 0.00 H new ATOM 1557 N THR A 94 25.111 17.094 -18.280 1.00 0.00 N ATOM 1558 CA THR A 94 25.002 15.868 -17.499 1.00 0.00 C ATOM 1559 C THR A 94 25.378 14.657 -18.346 1.00 0.00 C ATOM 1560 O THR A 94 24.911 14.508 -19.475 1.00 0.00 O ATOM 1561 CB THR A 94 23.572 15.703 -16.978 1.00 0.00 C ATOM 1562 OG1 THR A 94 23.370 14.356 -16.577 1.00 0.00 O ATOM 1563 CG2 THR A 94 22.579 16.062 -18.085 1.00 0.00 C ATOM 0 H THR A 94 24.221 17.546 -18.490 1.00 0.00 H new ATOM 0 HA THR A 94 25.690 15.936 -16.656 1.00 0.00 H new ATOM 0 HB THR A 94 23.416 16.364 -16.126 1.00 0.00 H new ATOM 0 HG1 THR A 94 22.456 14.248 -16.242 1.00 0.00 H new ATOM 0 HG21 THR A 94 21.561 15.944 -17.713 1.00 0.00 H new ATOM 0 HG22 THR A 94 22.735 17.096 -18.393 1.00 0.00 H new ATOM 0 HG23 THR A 94 22.732 15.402 -18.939 1.00 0.00 H new ATOM 1571 N LEU A 95 26.223 13.794 -17.793 1.00 0.00 N ATOM 1572 CA LEU A 95 26.656 12.598 -18.502 1.00 0.00 C ATOM 1573 C LEU A 95 25.478 11.651 -18.716 1.00 0.00 C ATOM 1574 O LEU A 95 25.254 10.734 -17.925 1.00 0.00 O ATOM 1575 CB LEU A 95 27.759 11.895 -17.698 1.00 0.00 C ATOM 1576 CG LEU A 95 27.739 12.400 -16.249 1.00 0.00 C ATOM 1577 CD1 LEU A 95 28.446 11.396 -15.349 1.00 0.00 C ATOM 1578 CD2 LEU A 95 28.458 13.757 -16.160 1.00 0.00 C ATOM 0 H LEU A 95 26.620 13.900 -16.859 1.00 0.00 H new ATOM 0 HA LEU A 95 27.049 12.886 -19.477 1.00 0.00 H new ATOM 0 HB2 LEU A 95 27.608 10.816 -17.720 1.00 0.00 H new ATOM 0 HB3 LEU A 95 28.732 12.090 -18.149 1.00 0.00 H new ATOM 0 HG LEU A 95 26.705 12.516 -15.926 1.00 0.00 H new ATOM 0 HD11 LEU A 95 28.431 11.756 -14.320 1.00 0.00 H new ATOM 0 HD12 LEU A 95 27.935 10.435 -15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 95 29.479 11.278 -15.677 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.441 14.111 -15.129 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.491 13.643 -16.488 1.00 0.00 H new ATOM 0 HD23 LEU A 95 27.952 14.480 -16.800 1.00 0.00 H new ATOM 1590 N TYR A 96 24.727 11.882 -19.789 1.00 0.00 N ATOM 1591 CA TYR A 96 23.571 11.046 -20.101 1.00 0.00 C ATOM 1592 C TYR A 96 23.531 10.723 -21.591 1.00 0.00 C ATOM 1593 O TYR A 96 22.598 10.080 -22.072 1.00 0.00 O ATOM 1594 CB TYR A 96 22.284 11.768 -19.699 1.00 0.00 C ATOM 1595 CG TYR A 96 21.119 10.810 -19.781 1.00 0.00 C ATOM 1596 CD1 TYR A 96 20.868 9.921 -18.729 1.00 0.00 C ATOM 1597 CD2 TYR A 96 20.290 10.812 -20.910 1.00 0.00 C ATOM 1598 CE1 TYR A 96 19.788 9.034 -18.805 1.00 0.00 C ATOM 1599 CE2 TYR A 96 19.209 9.924 -20.985 1.00 0.00 C ATOM 1600 CZ TYR A 96 18.958 9.035 -19.934 1.00 0.00 C ATOM 1601 OH TYR A 96 17.894 8.161 -20.008 1.00 0.00 O ATOM 0 H TYR A 96 24.896 12.637 -20.454 1.00 0.00 H new ATOM 0 HA TYR A 96 23.656 10.115 -19.541 1.00 0.00 H new ATOM 0 HB2 TYR A 96 22.376 12.159 -18.686 1.00 0.00 H new ATOM 0 HB3 TYR A 96 22.113 12.621 -20.356 1.00 0.00 H new ATOM 0 HD1 TYR A 96 21.508 9.920 -17.859 1.00 0.00 H new ATOM 0 HD2 TYR A 96 20.484 11.497 -21.722 1.00 0.00 H new ATOM 0 HE1 TYR A 96 19.594 8.349 -17.993 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.569 9.926 -21.855 1.00 0.00 H new ATOM 0 HH TYR A 96 17.420 8.293 -20.856 1.00 0.00 H new ATOM 1611 N GLN A 97 24.549 11.173 -22.316 1.00 0.00 N ATOM 1612 CA GLN A 97 24.623 10.925 -23.751 1.00 0.00 C ATOM 1613 C GLN A 97 26.053 11.097 -24.253 1.00 0.00 C ATOM 1614 O GLN A 97 26.445 12.183 -24.679 1.00 0.00 O ATOM 1615 CB GLN A 97 23.699 11.893 -24.495 1.00 0.00 C ATOM 1616 CG GLN A 97 23.724 11.574 -25.991 1.00 0.00 C ATOM 1617 CD GLN A 97 22.683 12.416 -26.722 1.00 0.00 C ATOM 1618 OE1 GLN A 97 21.863 11.881 -27.468 1.00 0.00 O ATOM 1619 NE2 GLN A 97 22.667 13.710 -26.550 1.00 0.00 N ATOM 0 H GLN A 97 25.330 11.708 -21.937 1.00 0.00 H new ATOM 0 HA GLN A 97 24.306 9.900 -23.940 1.00 0.00 H new ATOM 0 HB2 GLN A 97 22.682 11.809 -24.111 1.00 0.00 H new ATOM 0 HB3 GLN A 97 24.020 12.921 -24.326 1.00 0.00 H new ATOM 0 HG2 GLN A 97 24.716 11.774 -26.397 1.00 0.00 H new ATOM 0 HG3 GLN A 97 23.522 10.514 -26.149 1.00 0.00 H new ATOM 0 HE21 GLN A 97 23.348 14.151 -25.931 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.974 14.280 -27.034 1.00 0.00 H new ATOM 1628 N ASN A 98 26.826 10.017 -24.200 1.00 0.00 N ATOM 1629 CA ASN A 98 28.214 10.056 -24.652 1.00 0.00 C ATOM 1630 C ASN A 98 28.646 8.688 -25.170 1.00 0.00 C ATOM 1631 O ASN A 98 27.884 7.722 -25.110 1.00 0.00 O ATOM 1632 CB ASN A 98 29.127 10.481 -23.501 1.00 0.00 C ATOM 1633 CG ASN A 98 30.496 10.880 -24.042 1.00 0.00 C ATOM 1634 OD1 ASN A 98 31.329 10.019 -24.324 1.00 0.00 O ATOM 1635 ND2 ASN A 98 30.779 12.144 -24.207 1.00 0.00 N ATOM 0 H ASN A 98 26.518 9.109 -23.851 1.00 0.00 H new ATOM 0 HA ASN A 98 28.293 10.780 -25.463 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.682 11.317 -22.962 1.00 0.00 H new ATOM 0 HB3 ASN A 98 29.233 9.663 -22.788 1.00 0.00 H new ATOM 0 HD21 ASN A 98 31.692 12.419 -24.570 1.00 0.00 H new ATOM 0 HD22 ASN A 98 30.087 12.856 -23.973 1.00 0.00 H new ATOM 1642 N SER A 99 29.872 8.611 -25.677 1.00 0.00 N ATOM 1643 CA SER A 99 30.393 7.356 -26.204 1.00 0.00 C ATOM 1644 C SER A 99 31.916 7.399 -26.284 1.00 0.00 C ATOM 1645 O SER A 99 32.527 8.450 -26.098 1.00 0.00 O ATOM 1646 CB SER A 99 29.814 7.095 -27.594 1.00 0.00 C ATOM 1647 OG SER A 99 30.535 7.855 -28.554 1.00 0.00 O ATOM 0 H SER A 99 30.519 9.397 -25.734 1.00 0.00 H new ATOM 0 HA SER A 99 30.099 6.551 -25.531 1.00 0.00 H new ATOM 0 HB2 SER A 99 29.876 6.033 -27.833 1.00 0.00 H new ATOM 0 HB3 SER A 99 28.758 7.366 -27.617 1.00 0.00 H new ATOM 0 HG SER A 99 30.167 7.688 -29.447 1.00 0.00 H new ATOM 1653 N GLY A 100 32.522 6.249 -26.561 1.00 0.00 N ATOM 1654 CA GLY A 100 33.974 6.167 -26.664 1.00 0.00 C ATOM 1655 C GLY A 100 34.614 6.080 -25.282 1.00 0.00 C ATOM 1656 O GLY A 100 34.491 7.036 -24.534 1.00 0.00 O ATOM 1657 OXT GLY A 100 35.215 5.059 -24.993 1.00 0.00 O ATOM 0 H GLY A 100 32.034 5.367 -26.717 1.00 0.00 H new ATOM 0 HA2 GLY A 100 34.252 5.293 -27.253 1.00 0.00 H new ATOM 0 HA3 GLY A 100 34.355 7.042 -27.191 1.00 0.00 H new TER 1661 GLY A 100