USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 800 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: B 21 ASN : amide:sc= -2.52! C(o=-8.9!,f=-10!) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.38! C(o=-8.9!,f=-14!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=1.4,f=1.1) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -114:sc= 1.41 (180deg=-0.219) USER MOD Set 3.1: B 23 ASN : amide:sc= -2.09 K(o=-7.2,f=-19!) USER MOD Set 3.2: B 26 GLN : amide:sc= -3.76! C(o=-7.2!,f=-9!) USER MOD Set 3.3: B 55 GLN : amide:sc= -1.35 K(o=-7.2,f=-8.3) USER MOD Set 4.1: A 14 TYR OH : rot 180:sc= -1.4 USER MOD Set 4.2: A 18 HIS : no HD1:sc= -24.3! C(o=-26!,f=-23!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.2!) USER MOD Single : A 10 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= 0.282 K(o=0.28,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.2!) USER MOD Single : A 28 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.9!) USER MOD Single : A 32 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.1) USER MOD Single : A 33 SER OG : rot 8:sc= -0.0224 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.677 (180deg=0.545) USER MOD Single : A 39 SER OG : rot -51:sc= 0.385 USER MOD Single : A 40 GLN : amide:sc= -0.595 K(o=-0.59,f=-3.6) USER MOD Single : A 41 SER OG : rot -96:sc= 0.845 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.2! C(o=-1.2!,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : B 6 ASN : amide:sc= -3.03! C(o=-3!,f=-7.4!) USER MOD Single : B 7 LYS NZ :NH3+ -177:sc= -0.74 (180deg=-0.745) USER MOD Single : B 10 SER OG : rot -79:sc= -0.269! USER MOD Single : B 18 THR OG1 : rot -48:sc= 0.525 USER MOD Single : B 27 LYS NZ :NH3+ 150:sc= 1.14 (180deg=0.453) USER MOD Single : B 33 SER OG : rot -24:sc= -0.175 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.29) USER MOD Single : B 41 SER OG : rot -90:sc= 0.313 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0575) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.381 -13.967 7.041 1.00 0.00 N ATOM 68 CA PHE A 5 4.430 -13.335 5.678 1.00 0.00 C ATOM 69 C PHE A 5 3.026 -12.971 5.162 1.00 0.00 C ATOM 70 O PHE A 5 2.895 -12.061 4.363 1.00 0.00 O ATOM 71 CB PHE A 5 5.116 -14.355 4.750 1.00 0.00 C ATOM 72 CG PHE A 5 6.572 -14.576 5.158 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.290 -13.591 5.867 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.206 -15.778 4.818 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.621 -13.814 6.228 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.540 -15.998 5.182 1.00 0.00 C ATOM 77 CZ PHE A 5 9.247 -15.015 5.887 1.00 0.00 C ATOM 0 HA PHE A 5 4.984 -12.397 5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.578 -15.302 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.073 -14.001 3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.809 -12.661 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.664 -16.537 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.167 -13.057 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.025 -16.927 4.919 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.276 -15.186 6.167 1.00 0.00 H new ATOM 87 N ASN A 6 1.980 -13.656 5.618 1.00 0.00 N ATOM 88 CA ASN A 6 0.586 -13.325 5.154 1.00 0.00 C ATOM 89 C ASN A 6 0.292 -11.829 5.383 1.00 0.00 C ATOM 90 O ASN A 6 -0.002 -11.119 4.440 1.00 0.00 O ATOM 91 CB ASN A 6 -0.355 -14.205 5.997 1.00 0.00 C ATOM 92 CG ASN A 6 -1.798 -14.054 5.499 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.594 -13.370 6.112 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.175 -14.666 4.406 1.00 0.00 N ATOM 0 H ASN A 6 2.039 -14.424 6.287 1.00 0.00 H new ATOM 0 HA ASN A 6 0.455 -13.515 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.046 -15.248 5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.292 -13.918 7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.134 -14.568 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.510 -15.241 3.888 1.00 0.00 H new ATOM 101 N LYS A 7 0.413 -11.334 6.611 1.00 0.00 N ATOM 102 CA LYS A 7 0.175 -9.868 6.851 1.00 0.00 C ATOM 103 C LYS A 7 1.487 -9.063 6.783 1.00 0.00 C ATOM 104 O LYS A 7 1.433 -7.854 6.741 1.00 0.00 O ATOM 105 CB LYS A 7 -0.487 -9.723 8.227 1.00 0.00 C ATOM 106 CG LYS A 7 -0.850 -8.251 8.478 1.00 0.00 C ATOM 107 CD LYS A 7 0.074 -7.629 9.528 1.00 0.00 C ATOM 108 CE LYS A 7 -0.268 -8.172 10.925 1.00 0.00 C ATOM 109 NZ LYS A 7 0.932 -7.881 11.770 1.00 0.00 N ATOM 0 H LYS A 7 0.662 -11.877 7.438 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.474 -9.467 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.383 -10.342 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.189 -10.078 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.776 -7.691 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.885 -8.180 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.113 -7.853 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.029 -6.544 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.158 -7.688 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.474 -9.242 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.767 -8.225 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.763 -8.360 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.101 -6.855 11.792 1.00 0.00 H new ATOM 123 N GLU A 8 2.661 -9.686 6.726 1.00 0.00 N ATOM 124 CA GLU A 8 3.912 -8.862 6.598 1.00 0.00 C ATOM 125 C GLU A 8 3.896 -8.223 5.224 1.00 0.00 C ATOM 126 O GLU A 8 4.205 -7.066 5.086 1.00 0.00 O ATOM 127 CB GLU A 8 5.116 -9.787 6.757 1.00 0.00 C ATOM 128 CG GLU A 8 5.374 -10.056 8.243 1.00 0.00 C ATOM 129 CD GLU A 8 5.735 -8.748 8.968 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.745 -8.150 8.619 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.988 -8.360 9.852 1.00 0.00 O ATOM 0 H GLU A 8 2.797 -10.696 6.762 1.00 0.00 H new ATOM 0 HA GLU A 8 3.969 -8.084 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.935 -10.726 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.997 -9.333 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.489 -10.500 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.184 -10.777 8.354 1.00 0.00 H new ATOM 138 N GLN A 9 3.446 -8.957 4.218 1.00 0.00 N ATOM 139 CA GLN A 9 3.295 -8.369 2.859 1.00 0.00 C ATOM 140 C GLN A 9 2.238 -7.252 2.953 1.00 0.00 C ATOM 141 O GLN A 9 2.372 -6.222 2.353 1.00 0.00 O ATOM 142 CB GLN A 9 2.782 -9.489 1.949 1.00 0.00 C ATOM 143 CG GLN A 9 3.831 -10.578 1.743 1.00 0.00 C ATOM 144 CD GLN A 9 3.199 -11.716 0.934 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.610 -12.618 1.495 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.290 -11.710 -0.371 1.00 0.00 N ATOM 0 H GLN A 9 3.180 -9.939 4.293 1.00 0.00 H new ATOM 0 HA GLN A 9 4.229 -7.961 2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.884 -9.927 2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.498 -9.071 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.697 -10.175 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.186 -10.949 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.784 -10.954 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.867 -12.462 -0.915 1.00 0.00 H new ATOM 155 N GLN A 10 1.204 -7.470 3.755 1.00 0.00 N ATOM 156 CA GLN A 10 0.123 -6.444 3.972 1.00 0.00 C ATOM 157 C GLN A 10 0.698 -5.208 4.683 1.00 0.00 C ATOM 158 O GLN A 10 0.470 -4.089 4.262 1.00 0.00 O ATOM 159 CB GLN A 10 -0.892 -7.148 4.885 1.00 0.00 C ATOM 160 CG GLN A 10 -2.294 -7.105 4.269 1.00 0.00 C ATOM 161 CD GLN A 10 -2.605 -8.412 3.515 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.964 -9.421 3.716 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.585 -8.445 2.656 1.00 0.00 N ATOM 0 H GLN A 10 1.067 -8.336 4.276 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.319 -6.100 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.590 -8.183 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.904 -6.667 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.035 -6.948 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.369 -6.260 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.134 -7.604 2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.803 -9.312 2.164 1.00 0.00 H new ATOM 172 N ASN A 11 1.442 -5.419 5.756 1.00 0.00 N ATOM 173 CA ASN A 11 2.052 -4.279 6.513 1.00 0.00 C ATOM 174 C ASN A 11 3.162 -3.640 5.684 1.00 0.00 C ATOM 175 O ASN A 11 3.223 -2.438 5.569 1.00 0.00 O ATOM 176 CB ASN A 11 2.630 -4.885 7.799 1.00 0.00 C ATOM 177 CG ASN A 11 2.890 -3.769 8.815 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.970 -3.277 9.439 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.109 -3.339 9.005 1.00 0.00 N ATOM 0 H ASN A 11 1.650 -6.342 6.137 1.00 0.00 H new ATOM 0 HA ASN A 11 1.319 -3.504 6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.935 -5.615 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.557 -5.415 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.287 -2.592 9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.882 -3.751 8.482 1.00 0.00 H new ATOM 186 N ALA A 12 4.021 -4.445 5.087 1.00 0.00 N ATOM 187 CA ALA A 12 5.117 -3.894 4.229 1.00 0.00 C ATOM 188 C ALA A 12 4.494 -3.153 3.051 1.00 0.00 C ATOM 189 O ALA A 12 4.917 -2.071 2.720 1.00 0.00 O ATOM 190 CB ALA A 12 5.920 -5.097 3.734 1.00 0.00 C ATOM 0 H ALA A 12 4.005 -5.462 5.161 1.00 0.00 H new ATOM 0 HA ALA A 12 5.757 -3.199 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.737 -4.753 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.327 -5.639 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.270 -5.758 3.161 1.00 0.00 H new ATOM 196 N PHE A 13 3.450 -3.718 2.460 1.00 0.00 N ATOM 197 CA PHE A 13 2.737 -3.033 1.335 1.00 0.00 C ATOM 198 C PHE A 13 2.244 -1.684 1.847 1.00 0.00 C ATOM 199 O PHE A 13 2.588 -0.650 1.307 1.00 0.00 O ATOM 200 CB PHE A 13 1.539 -3.948 0.980 1.00 0.00 C ATOM 201 CG PHE A 13 0.582 -3.243 0.055 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.057 -2.629 -1.098 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.789 -3.246 0.331 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.170 -2.020 -1.971 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.676 -2.628 -0.543 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.196 -2.020 -1.691 1.00 0.00 C ATOM 0 H PHE A 13 3.067 -4.628 2.717 1.00 0.00 H new ATOM 0 HA PHE A 13 3.369 -2.867 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.901 -4.862 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.019 -4.244 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.115 -2.627 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.159 -3.729 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.537 -1.545 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.734 -2.622 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.884 -1.543 -2.373 1.00 0.00 H new ATOM 216 N TYR A 14 1.470 -1.712 2.911 1.00 0.00 N ATOM 217 CA TYR A 14 0.940 -0.461 3.519 1.00 0.00 C ATOM 218 C TYR A 14 2.075 0.523 3.837 1.00 0.00 C ATOM 219 O TYR A 14 2.044 1.651 3.409 1.00 0.00 O ATOM 220 CB TYR A 14 0.280 -0.911 4.808 1.00 0.00 C ATOM 221 CG TYR A 14 -0.400 0.266 5.437 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.658 0.649 4.992 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.214 0.964 6.480 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.299 1.703 5.568 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.432 2.050 7.063 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.694 2.427 6.607 1.00 0.00 C ATOM 227 OH TYR A 14 -2.353 3.501 7.183 1.00 0.00 O ATOM 0 H TYR A 14 1.183 -2.568 3.386 1.00 0.00 H new ATOM 0 HA TYR A 14 0.255 0.054 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.443 -1.701 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.024 -1.326 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.130 0.108 4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.189 0.661 6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.283 1.985 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.042 2.598 7.864 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.793 3.889 7.887 1.00 0.00 H new ATOM 237 N GLU A 15 3.082 0.088 4.571 1.00 0.00 N ATOM 238 CA GLU A 15 4.222 1.000 4.918 1.00 0.00 C ATOM 239 C GLU A 15 4.895 1.509 3.638 1.00 0.00 C ATOM 240 O GLU A 15 5.155 2.685 3.531 1.00 0.00 O ATOM 241 CB GLU A 15 5.190 0.172 5.769 1.00 0.00 C ATOM 242 CG GLU A 15 4.569 -0.155 7.145 1.00 0.00 C ATOM 243 CD GLU A 15 4.243 1.137 7.910 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.159 1.905 8.168 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.083 1.330 8.237 1.00 0.00 O ATOM 0 H GLU A 15 3.160 -0.859 4.942 1.00 0.00 H new ATOM 0 HA GLU A 15 3.887 1.879 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.439 -0.753 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.121 0.721 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.661 -0.743 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.260 -0.764 7.727 1.00 0.00 H new ATOM 252 N ILE A 16 5.122 0.652 2.644 1.00 0.00 N ATOM 253 CA ILE A 16 5.720 1.136 1.339 1.00 0.00 C ATOM 254 C ILE A 16 4.855 2.294 0.795 1.00 0.00 C ATOM 255 O ILE A 16 5.369 3.337 0.424 1.00 0.00 O ATOM 256 CB ILE A 16 5.727 -0.106 0.406 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.056 -0.845 0.616 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.581 0.282 -1.074 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.838 -2.348 0.523 1.00 0.00 C ATOM 0 H ILE A 16 4.921 -0.347 2.683 1.00 0.00 H new ATOM 0 HA ILE A 16 6.732 1.529 1.436 1.00 0.00 H new ATOM 0 HB ILE A 16 4.876 -0.740 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.780 -0.527 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.473 -0.590 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.591 -0.618 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.639 0.811 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.409 0.929 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.787 -2.863 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.130 -2.661 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.441 -2.598 -0.461 1.00 0.00 H new ATOM 271 N LEU A 17 3.548 2.117 0.791 1.00 0.00 N ATOM 272 CA LEU A 17 2.621 3.217 0.322 1.00 0.00 C ATOM 273 C LEU A 17 2.616 4.405 1.318 1.00 0.00 C ATOM 274 O LEU A 17 2.578 5.547 0.921 1.00 0.00 O ATOM 275 CB LEU A 17 1.204 2.613 0.277 1.00 0.00 C ATOM 276 CG LEU A 17 1.122 1.457 -0.723 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.408 0.277 -0.103 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.299 1.837 -1.924 1.00 0.00 C ATOM 0 H LEU A 17 3.081 1.261 1.091 1.00 0.00 H new ATOM 0 HA LEU A 17 2.947 3.588 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.926 2.258 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.486 3.386 0.002 1.00 0.00 H new ATOM 0 HG LEU A 17 2.147 1.216 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.357 -0.538 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.953 -0.055 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.602 0.572 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.258 0.997 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.711 2.095 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.753 2.695 -2.420 1.00 0.00 H new ATOM 290 N HIS A 18 2.635 4.138 2.612 1.00 0.00 N ATOM 291 CA HIS A 18 2.593 5.252 3.632 1.00 0.00 C ATOM 292 C HIS A 18 3.982 5.877 3.903 1.00 0.00 C ATOM 293 O HIS A 18 4.074 6.826 4.667 1.00 0.00 O ATOM 294 CB HIS A 18 2.001 4.625 4.910 1.00 0.00 C ATOM 295 CG HIS A 18 0.514 4.414 4.716 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.439 5.338 5.131 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.198 3.421 4.099 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.642 4.866 4.742 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.535 3.734 4.104 1.00 0.00 N ATOM 0 H HIS A 18 2.678 3.198 3.006 1.00 0.00 H new ATOM 0 HA HIS A 18 1.987 6.080 3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.491 3.675 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.180 5.276 5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.228 2.525 3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.580 5.365 4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.293 3.190 3.691 1.00 0.00 H new ATOM 307 N LEU A 19 5.052 5.392 3.283 1.00 0.00 N ATOM 308 CA LEU A 19 6.403 6.014 3.517 1.00 0.00 C ATOM 309 C LEU A 19 6.421 7.419 2.874 1.00 0.00 C ATOM 310 O LEU A 19 6.115 7.555 1.700 1.00 0.00 O ATOM 311 CB LEU A 19 7.441 5.091 2.846 1.00 0.00 C ATOM 312 CG LEU A 19 7.884 3.979 3.818 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.787 2.982 3.084 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.652 4.577 5.006 1.00 0.00 C ATOM 0 H LEU A 19 5.043 4.604 2.636 1.00 0.00 H new ATOM 0 HA LEU A 19 6.627 6.122 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.014 4.647 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.307 5.675 2.533 1.00 0.00 H new ATOM 0 HG LEU A 19 6.995 3.469 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.099 2.197 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.239 2.538 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.667 3.500 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.957 3.778 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.536 5.101 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.009 5.277 5.539 1.00 0.00 H new ATOM 326 N PRO A 20 6.745 8.426 3.675 1.00 0.00 N ATOM 327 CA PRO A 20 6.760 9.843 3.185 1.00 0.00 C ATOM 328 C PRO A 20 7.794 10.115 2.067 1.00 0.00 C ATOM 329 O PRO A 20 7.658 11.097 1.357 1.00 0.00 O ATOM 330 CB PRO A 20 7.081 10.654 4.443 1.00 0.00 C ATOM 331 CG PRO A 20 7.777 9.692 5.345 1.00 0.00 C ATOM 332 CD PRO A 20 7.133 8.357 5.097 1.00 0.00 C ATOM 0 HA PRO A 20 5.810 10.105 2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.715 11.510 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.174 11.045 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.845 9.657 5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.672 9.989 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.824 7.536 5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.269 8.201 5.743 1.00 0.00 H new ATOM 340 N ASN A 21 8.812 9.283 1.890 1.00 0.00 N ATOM 341 CA ASN A 21 9.814 9.551 0.805 1.00 0.00 C ATOM 342 C ASN A 21 9.754 8.490 -0.317 1.00 0.00 C ATOM 343 O ASN A 21 10.578 8.507 -1.219 1.00 0.00 O ATOM 344 CB ASN A 21 11.175 9.574 1.510 1.00 0.00 C ATOM 345 CG ASN A 21 11.265 10.823 2.398 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.268 11.931 1.904 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.327 10.693 3.696 1.00 0.00 N ATOM 0 H ASN A 21 8.984 8.445 2.445 1.00 0.00 H new ATOM 0 HA ASN A 21 9.613 10.495 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.300 8.675 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.979 9.578 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.378 11.521 4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.325 9.764 4.116 1.00 0.00 H new ATOM 354 N LEU A 22 8.761 7.602 -0.310 1.00 0.00 N ATOM 355 CA LEU A 22 8.636 6.603 -1.422 1.00 0.00 C ATOM 356 C LEU A 22 7.719 7.180 -2.501 1.00 0.00 C ATOM 357 O LEU A 22 6.709 7.800 -2.201 1.00 0.00 O ATOM 358 CB LEU A 22 8.019 5.315 -0.831 1.00 0.00 C ATOM 359 CG LEU A 22 9.070 4.422 -0.124 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.651 2.959 -0.260 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.456 4.576 -0.754 1.00 0.00 C ATOM 0 H LEU A 22 8.046 7.536 0.414 1.00 0.00 H new ATOM 0 HA LEU A 22 9.607 6.380 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.238 5.584 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.541 4.746 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 22 9.121 4.728 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.385 2.323 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.675 2.815 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.594 2.694 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.166 3.935 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.412 4.289 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.778 5.614 -0.675 1.00 0.00 H new ATOM 373 N ASN A 23 8.067 6.982 -3.749 1.00 0.00 N ATOM 374 CA ASN A 23 7.223 7.521 -4.867 1.00 0.00 C ATOM 375 C ASN A 23 6.592 6.392 -5.677 1.00 0.00 C ATOM 376 O ASN A 23 6.665 5.238 -5.313 1.00 0.00 O ATOM 377 CB ASN A 23 8.145 8.394 -5.745 1.00 0.00 C ATOM 378 CG ASN A 23 9.210 7.562 -6.488 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.651 6.535 -6.013 1.00 0.00 O ATOM 380 ND2 ASN A 23 9.641 7.970 -7.649 1.00 0.00 N ATOM 0 H ASN A 23 8.899 6.471 -4.044 1.00 0.00 H new ATOM 0 HA ASN A 23 6.396 8.112 -4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.542 8.938 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.640 9.138 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.344 7.428 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.276 8.832 -8.055 1.00 0.00 H new ATOM 387 N GLU A 24 5.970 6.741 -6.775 1.00 0.00 N ATOM 388 CA GLU A 24 5.292 5.719 -7.651 1.00 0.00 C ATOM 389 C GLU A 24 6.294 4.647 -8.112 1.00 0.00 C ATOM 390 O GLU A 24 5.940 3.493 -8.241 1.00 0.00 O ATOM 391 CB GLU A 24 4.762 6.515 -8.856 1.00 0.00 C ATOM 392 CG GLU A 24 3.569 5.785 -9.501 1.00 0.00 C ATOM 393 CD GLU A 24 2.251 6.110 -8.761 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.053 7.257 -8.382 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.456 5.201 -8.593 1.00 0.00 O ATOM 0 H GLU A 24 5.899 7.701 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 24 4.496 5.194 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.457 7.511 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.556 6.646 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.483 6.076 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.744 4.709 -9.483 1.00 0.00 H new ATOM 402 N GLU A 25 7.537 5.023 -8.353 1.00 0.00 N ATOM 403 CA GLU A 25 8.567 4.027 -8.805 1.00 0.00 C ATOM 404 C GLU A 25 9.019 3.122 -7.641 1.00 0.00 C ATOM 405 O GLU A 25 8.968 1.914 -7.753 1.00 0.00 O ATOM 406 CB GLU A 25 9.740 4.872 -9.333 1.00 0.00 C ATOM 407 CG GLU A 25 10.853 3.961 -9.884 1.00 0.00 C ATOM 408 CD GLU A 25 10.337 3.156 -11.086 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.149 3.746 -12.139 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.133 1.963 -10.927 1.00 0.00 O ATOM 0 H GLU A 25 7.879 5.979 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 25 8.171 3.357 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.389 5.543 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.136 5.497 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.711 4.563 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.196 3.282 -9.103 1.00 0.00 H new ATOM 417 N GLN A 26 9.468 3.699 -6.538 1.00 0.00 N ATOM 418 CA GLN A 26 9.940 2.864 -5.366 1.00 0.00 C ATOM 419 C GLN A 26 8.783 2.099 -4.719 1.00 0.00 C ATOM 420 O GLN A 26 8.899 0.913 -4.465 1.00 0.00 O ATOM 421 CB GLN A 26 10.560 3.850 -4.357 1.00 0.00 C ATOM 422 CG GLN A 26 11.815 4.523 -4.951 1.00 0.00 C ATOM 423 CD GLN A 26 12.854 3.471 -5.383 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.020 2.452 -4.745 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.572 3.680 -6.452 1.00 0.00 N ATOM 0 H GLN A 26 9.528 4.708 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 26 10.661 2.115 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.827 4.610 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.824 3.322 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.533 5.134 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.256 5.193 -4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.441 4.533 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.265 2.990 -6.744 1.00 0.00 H new ATOM 434 N ARG A 27 7.677 2.760 -4.452 1.00 0.00 N ATOM 435 CA ARG A 27 6.506 2.073 -3.807 1.00 0.00 C ATOM 436 C ARG A 27 5.949 0.938 -4.705 1.00 0.00 C ATOM 437 O ARG A 27 5.721 -0.158 -4.231 1.00 0.00 O ATOM 438 CB ARG A 27 5.447 3.176 -3.629 1.00 0.00 C ATOM 439 CG ARG A 27 4.088 2.570 -3.249 1.00 0.00 C ATOM 440 CD ARG A 27 2.999 3.649 -3.288 1.00 0.00 C ATOM 441 NE ARG A 27 2.977 4.162 -4.697 1.00 0.00 N ATOM 442 CZ ARG A 27 2.933 5.452 -4.937 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.875 6.239 -4.481 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.945 5.952 -5.631 1.00 0.00 N ATOM 0 H ARG A 27 7.535 3.750 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 27 6.789 1.606 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.768 3.874 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.351 3.746 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.836 1.763 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.142 2.133 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.030 3.236 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.219 4.451 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 27 2.996 3.503 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.646 5.850 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.838 7.241 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.210 5.340 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.909 6.954 -5.818 1.00 0.00 H new ATOM 458 N ASN A 28 5.717 1.201 -5.985 1.00 0.00 N ATOM 459 CA ASN A 28 5.157 0.141 -6.901 1.00 0.00 C ATOM 460 C ASN A 28 6.150 -1.005 -7.087 1.00 0.00 C ATOM 461 O ASN A 28 5.766 -2.156 -7.031 1.00 0.00 O ATOM 462 CB ASN A 28 4.902 0.846 -8.229 1.00 0.00 C ATOM 463 CG ASN A 28 4.300 -0.118 -9.265 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.777 -1.165 -8.929 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.353 0.202 -10.527 1.00 0.00 N ATOM 0 H ASN A 28 5.892 2.102 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 28 4.249 -0.300 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.225 1.686 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.837 1.257 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.957 -0.424 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.790 1.078 -10.813 1.00 0.00 H new ATOM 472 N ALA A 29 7.420 -0.698 -7.277 1.00 0.00 N ATOM 473 CA ALA A 29 8.453 -1.780 -7.428 1.00 0.00 C ATOM 474 C ALA A 29 8.414 -2.675 -6.196 1.00 0.00 C ATOM 475 O ALA A 29 8.516 -3.884 -6.291 1.00 0.00 O ATOM 476 CB ALA A 29 9.785 -1.062 -7.477 1.00 0.00 C ATOM 0 H ALA A 29 7.783 0.254 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 29 8.284 -2.392 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.588 -1.791 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.798 -0.377 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.929 -0.500 -6.555 1.00 0.00 H new ATOM 482 N PHE A 30 8.223 -2.069 -5.042 1.00 0.00 N ATOM 483 CA PHE A 30 8.112 -2.844 -3.781 1.00 0.00 C ATOM 484 C PHE A 30 6.875 -3.695 -3.822 1.00 0.00 C ATOM 485 O PHE A 30 6.929 -4.852 -3.521 1.00 0.00 O ATOM 486 CB PHE A 30 8.014 -1.811 -2.667 1.00 0.00 C ATOM 487 CG PHE A 30 9.399 -1.339 -2.304 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.501 -2.194 -2.461 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.583 -0.064 -1.783 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.758 -1.781 -2.096 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.857 0.353 -1.424 1.00 0.00 C ATOM 492 CZ PHE A 30 11.945 -0.521 -1.576 1.00 0.00 C ATOM 0 H PHE A 30 8.140 -1.059 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 30 8.963 -3.508 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.403 -0.968 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.525 -2.245 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.359 -3.183 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.739 0.599 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.601 -2.445 -2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.011 1.346 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.935 -0.202 -1.283 1.00 0.00 H new ATOM 502 N ILE A 31 5.779 -3.134 -4.246 1.00 0.00 N ATOM 503 CA ILE A 31 4.525 -3.923 -4.373 1.00 0.00 C ATOM 504 C ILE A 31 4.726 -5.037 -5.424 1.00 0.00 C ATOM 505 O ILE A 31 4.137 -6.089 -5.308 1.00 0.00 O ATOM 506 CB ILE A 31 3.459 -2.889 -4.744 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.283 -1.957 -3.544 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.145 -3.585 -5.032 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.638 -0.655 -3.973 1.00 0.00 C ATOM 0 H ILE A 31 5.698 -2.153 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 31 4.225 -4.448 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 31 3.762 -2.332 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.667 -2.442 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.252 -1.756 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.391 -2.844 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.276 -4.280 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.822 -4.133 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.521 -0.004 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.269 -0.163 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.660 -0.860 -4.408 1.00 0.00 H new ATOM 521 N GLN A 32 5.602 -4.837 -6.407 1.00 0.00 N ATOM 522 CA GLN A 32 5.883 -5.923 -7.407 1.00 0.00 C ATOM 523 C GLN A 32 6.732 -7.030 -6.737 1.00 0.00 C ATOM 524 O GLN A 32 6.409 -8.199 -6.827 1.00 0.00 O ATOM 525 CB GLN A 32 6.635 -5.239 -8.563 1.00 0.00 C ATOM 526 CG GLN A 32 5.656 -4.360 -9.356 1.00 0.00 C ATOM 527 CD GLN A 32 6.415 -3.535 -10.397 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.782 -2.407 -10.142 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.667 -4.050 -11.573 1.00 0.00 N ATOM 0 H GLN A 32 6.125 -3.973 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 32 4.978 -6.404 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.452 -4.632 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.080 -5.989 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.911 -4.985 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.118 -3.698 -8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.360 -4.998 -11.791 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.170 -3.504 -12.272 1.00 0.00 H new ATOM 538 N SER A 33 7.780 -6.650 -6.019 1.00 0.00 N ATOM 539 CA SER A 33 8.640 -7.652 -5.277 1.00 0.00 C ATOM 540 C SER A 33 7.897 -8.222 -4.044 1.00 0.00 C ATOM 541 O SER A 33 8.166 -9.322 -3.604 1.00 0.00 O ATOM 542 CB SER A 33 9.892 -6.871 -4.847 1.00 0.00 C ATOM 543 OG SER A 33 9.510 -5.677 -4.177 1.00 0.00 O ATOM 0 H SER A 33 8.078 -5.680 -5.915 1.00 0.00 H new ATOM 0 HA SER A 33 8.889 -8.509 -5.903 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.507 -7.486 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.499 -6.630 -5.720 1.00 0.00 H new ATOM 0 HG SER A 33 8.542 -5.681 -4.027 1.00 0.00 H new ATOM 549 N LEU A 34 6.985 -7.455 -3.488 1.00 0.00 N ATOM 550 CA LEU A 34 6.204 -7.872 -2.274 1.00 0.00 C ATOM 551 C LEU A 34 5.023 -8.795 -2.651 1.00 0.00 C ATOM 552 O LEU A 34 4.818 -9.812 -2.014 1.00 0.00 O ATOM 553 CB LEU A 34 5.730 -6.521 -1.701 1.00 0.00 C ATOM 554 CG LEU A 34 4.996 -6.673 -0.374 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.975 -6.989 0.734 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.310 -5.353 -0.049 1.00 0.00 C ATOM 0 H LEU A 34 6.742 -6.528 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 34 6.784 -8.456 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.591 -5.867 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.073 -6.035 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 34 4.271 -7.483 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.437 -7.095 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.494 -7.920 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.701 -6.180 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.779 -5.443 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.058 -4.564 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.602 -5.107 -0.840 1.00 0.00 H new ATOM 568 N LYS A 35 4.253 -8.446 -3.675 1.00 0.00 N ATOM 569 CA LYS A 35 3.081 -9.308 -4.091 1.00 0.00 C ATOM 570 C LYS A 35 3.573 -10.665 -4.629 1.00 0.00 C ATOM 571 O LYS A 35 2.921 -11.677 -4.435 1.00 0.00 O ATOM 572 CB LYS A 35 2.308 -8.509 -5.173 1.00 0.00 C ATOM 573 CG LYS A 35 1.199 -7.681 -4.531 1.00 0.00 C ATOM 574 CD LYS A 35 -0.101 -7.851 -5.322 1.00 0.00 C ATOM 575 CE LYS A 35 -1.291 -7.818 -4.353 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.861 -9.202 -4.364 1.00 0.00 N ATOM 0 H LYS A 35 4.387 -7.605 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 35 2.429 -9.531 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.994 -7.855 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.881 -9.195 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.050 -7.995 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.486 -6.630 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.197 -7.056 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.088 -8.794 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.972 -7.534 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.034 -7.086 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.526 -9.310 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.361 -9.364 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.092 -9.895 -4.266 1.00 0.00 H new ATOM 590 N ASP A 36 4.726 -10.697 -5.282 1.00 0.00 N ATOM 591 CA ASP A 36 5.271 -11.994 -5.814 1.00 0.00 C ATOM 592 C ASP A 36 6.166 -12.714 -4.775 1.00 0.00 C ATOM 593 O ASP A 36 6.218 -13.932 -4.762 1.00 0.00 O ATOM 594 CB ASP A 36 6.078 -11.620 -7.070 1.00 0.00 C ATOM 595 CG ASP A 36 5.117 -11.251 -8.212 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.523 -12.154 -8.779 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.990 -10.073 -8.500 1.00 0.00 O ATOM 0 H ASP A 36 5.308 -9.880 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 36 4.465 -12.692 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.739 -10.781 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.711 -12.455 -7.370 1.00 0.00 H new ATOM 602 N ASP A 37 6.867 -11.985 -3.910 1.00 0.00 N ATOM 603 CA ASP A 37 7.749 -12.655 -2.887 1.00 0.00 C ATOM 604 C ASP A 37 7.260 -12.361 -1.449 1.00 0.00 C ATOM 605 O ASP A 37 7.509 -11.287 -0.919 1.00 0.00 O ATOM 606 CB ASP A 37 9.164 -12.087 -3.107 1.00 0.00 C ATOM 607 CG ASP A 37 10.209 -13.101 -2.616 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.260 -13.348 -1.420 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.941 -13.610 -3.447 1.00 0.00 O ATOM 0 H ASP A 37 6.862 -10.966 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 37 7.730 -13.739 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.320 -11.872 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.276 -11.145 -2.570 1.00 0.00 H new ATOM 614 N PRO A 38 6.581 -13.335 -0.858 1.00 0.00 N ATOM 615 CA PRO A 38 6.060 -13.186 0.535 1.00 0.00 C ATOM 616 C PRO A 38 7.196 -13.163 1.583 1.00 0.00 C ATOM 617 O PRO A 38 7.122 -12.429 2.550 1.00 0.00 O ATOM 618 CB PRO A 38 5.181 -14.427 0.717 1.00 0.00 C ATOM 619 CG PRO A 38 5.734 -15.429 -0.238 1.00 0.00 C ATOM 620 CD PRO A 38 6.221 -14.651 -1.422 1.00 0.00 C ATOM 0 HA PRO A 38 5.525 -12.247 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.222 -14.794 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.136 -14.207 0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.547 -15.994 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.971 -16.149 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.079 -15.133 -1.891 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.449 -14.561 -2.186 1.00 0.00 H new ATOM 628 N SER A 39 8.230 -13.968 1.402 1.00 0.00 N ATOM 629 CA SER A 39 9.368 -14.007 2.393 1.00 0.00 C ATOM 630 C SER A 39 10.148 -12.681 2.422 1.00 0.00 C ATOM 631 O SER A 39 10.581 -12.248 3.476 1.00 0.00 O ATOM 632 CB SER A 39 10.279 -15.154 1.939 1.00 0.00 C ATOM 633 OG SER A 39 9.561 -16.383 1.997 1.00 0.00 O ATOM 0 H SER A 39 8.334 -14.600 0.608 1.00 0.00 H new ATOM 0 HA SER A 39 8.992 -14.158 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.630 -14.973 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.162 -15.206 2.577 1.00 0.00 H new ATOM 0 HG SER A 39 9.146 -16.478 2.880 1.00 0.00 H new ATOM 639 N GLN A 40 10.326 -12.035 1.284 1.00 0.00 N ATOM 640 CA GLN A 40 11.080 -10.735 1.254 1.00 0.00 C ATOM 641 C GLN A 40 10.192 -9.555 1.700 1.00 0.00 C ATOM 642 O GLN A 40 10.665 -8.451 1.750 1.00 0.00 O ATOM 643 CB GLN A 40 11.499 -10.535 -0.214 1.00 0.00 C ATOM 644 CG GLN A 40 12.683 -9.563 -0.294 1.00 0.00 C ATOM 645 CD GLN A 40 12.958 -9.210 -1.760 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.195 -8.487 -2.374 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.017 -9.689 -2.354 1.00 0.00 N ATOM 0 H GLN A 40 9.981 -12.353 0.378 1.00 0.00 H new ATOM 0 HA GLN A 40 11.931 -10.767 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.774 -11.493 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.660 -10.147 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.464 -8.659 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.568 -10.014 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.658 -10.295 -1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.203 -9.457 -3.330 1.00 0.00 H new ATOM 656 N SER A 41 8.913 -9.762 1.986 1.00 0.00 N ATOM 657 CA SER A 41 8.016 -8.610 2.364 1.00 0.00 C ATOM 658 C SER A 41 8.566 -7.761 3.523 1.00 0.00 C ATOM 659 O SER A 41 8.600 -6.551 3.405 1.00 0.00 O ATOM 660 CB SER A 41 6.661 -9.231 2.736 1.00 0.00 C ATOM 661 OG SER A 41 6.783 -10.012 3.923 1.00 0.00 O ATOM 0 H SER A 41 8.458 -10.675 1.973 1.00 0.00 H new ATOM 0 HA SER A 41 7.937 -7.917 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.921 -8.444 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.302 -9.855 1.917 1.00 0.00 H new ATOM 0 HG SER A 41 6.916 -10.953 3.683 1.00 0.00 H new ATOM 667 N ALA A 42 9.008 -8.351 4.621 1.00 0.00 N ATOM 668 CA ALA A 42 9.571 -7.500 5.729 1.00 0.00 C ATOM 669 C ALA A 42 10.799 -6.752 5.215 1.00 0.00 C ATOM 670 O ALA A 42 10.908 -5.555 5.376 1.00 0.00 O ATOM 671 CB ALA A 42 10.018 -8.446 6.811 1.00 0.00 C ATOM 0 H ALA A 42 9.004 -9.356 4.794 1.00 0.00 H new ATOM 0 HA ALA A 42 8.831 -6.785 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.436 -7.877 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.165 -9.027 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.777 -9.120 6.414 1.00 0.00 H new ATOM 677 N ASN A 43 11.702 -7.468 4.555 1.00 0.00 N ATOM 678 CA ASN A 43 12.916 -6.825 3.955 1.00 0.00 C ATOM 679 C ASN A 43 12.481 -5.737 2.995 1.00 0.00 C ATOM 680 O ASN A 43 13.097 -4.713 2.922 1.00 0.00 O ATOM 681 CB ASN A 43 13.616 -7.908 3.146 1.00 0.00 C ATOM 682 CG ASN A 43 14.699 -8.587 3.989 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.570 -9.737 4.349 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.772 -7.917 4.323 1.00 0.00 N ATOM 0 H ASN A 43 11.640 -8.476 4.411 1.00 0.00 H new ATOM 0 HA ASN A 43 13.558 -6.400 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.889 -8.648 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.062 -7.472 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.497 -8.363 4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.883 -6.949 4.021 1.00 0.00 H new ATOM 691 N LEU A 44 11.402 -5.976 2.270 1.00 0.00 N ATOM 692 CA LEU A 44 10.871 -4.967 1.308 1.00 0.00 C ATOM 693 C LEU A 44 10.421 -3.754 2.041 1.00 0.00 C ATOM 694 O LEU A 44 10.726 -2.650 1.632 1.00 0.00 O ATOM 695 CB LEU A 44 9.713 -5.623 0.598 1.00 0.00 C ATOM 696 CG LEU A 44 10.292 -6.527 -0.456 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.157 -7.281 -1.119 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.063 -5.657 -1.450 1.00 0.00 C ATOM 0 H LEU A 44 10.866 -6.843 2.312 1.00 0.00 H new ATOM 0 HA LEU A 44 11.634 -4.652 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.104 -6.192 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.063 -4.873 0.147 1.00 0.00 H new ATOM 0 HG LEU A 44 10.979 -7.260 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.559 -7.942 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.628 -7.872 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.467 -6.572 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.495 -6.288 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.384 -4.935 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.860 -5.128 -0.928 1.00 0.00 H new ATOM 710 N LEU A 45 9.752 -3.930 3.150 1.00 0.00 N ATOM 711 CA LEU A 45 9.390 -2.734 3.918 1.00 0.00 C ATOM 712 C LEU A 45 10.684 -2.138 4.457 1.00 0.00 C ATOM 713 O LEU A 45 10.904 -0.987 4.299 1.00 0.00 O ATOM 714 CB LEU A 45 8.462 -3.167 5.032 1.00 0.00 C ATOM 715 CG LEU A 45 8.315 -2.032 6.051 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.017 -0.710 5.325 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.179 -2.381 7.005 1.00 0.00 C ATOM 0 H LEU A 45 9.454 -4.825 3.537 1.00 0.00 H new ATOM 0 HA LEU A 45 8.878 -1.982 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.486 -3.431 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.855 -4.059 5.520 1.00 0.00 H new ATOM 0 HG LEU A 45 9.241 -1.911 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.914 0.092 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.835 -0.477 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.090 -0.806 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.061 -1.583 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.253 -2.496 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.409 -3.314 7.519 1.00 0.00 H new ATOM 729 N ALA A 46 11.554 -2.934 5.049 1.00 0.00 N ATOM 730 CA ALA A 46 12.862 -2.385 5.563 1.00 0.00 C ATOM 731 C ALA A 46 13.622 -1.641 4.464 1.00 0.00 C ATOM 732 O ALA A 46 14.138 -0.581 4.710 1.00 0.00 O ATOM 733 CB ALA A 46 13.697 -3.596 5.937 1.00 0.00 C ATOM 0 H ALA A 46 11.417 -3.934 5.198 1.00 0.00 H new ATOM 0 HA ALA A 46 12.679 -1.698 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.664 -3.268 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.180 -4.171 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.848 -4.220 5.056 1.00 0.00 H new ATOM 739 N GLU A 47 13.688 -2.183 3.258 1.00 0.00 N ATOM 740 CA GLU A 47 14.399 -1.464 2.158 1.00 0.00 C ATOM 741 C GLU A 47 13.561 -0.244 1.775 1.00 0.00 C ATOM 742 O GLU A 47 14.106 0.808 1.530 1.00 0.00 O ATOM 743 CB GLU A 47 14.657 -2.447 1.003 1.00 0.00 C ATOM 744 CG GLU A 47 13.398 -3.061 0.458 1.00 0.00 C ATOM 745 CD GLU A 47 13.786 -4.266 -0.416 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.887 -5.357 0.125 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.995 -4.079 -1.601 1.00 0.00 O ATOM 0 H GLU A 47 13.282 -3.082 2.999 1.00 0.00 H new ATOM 0 HA GLU A 47 15.379 -1.095 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.177 -1.925 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.320 -3.240 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.747 -3.377 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.842 -2.330 -0.129 1.00 0.00 H new ATOM 754 N ALA A 48 12.235 -0.342 1.805 1.00 0.00 N ATOM 755 CA ALA A 48 11.399 0.864 1.558 1.00 0.00 C ATOM 756 C ALA A 48 11.630 1.878 2.711 1.00 0.00 C ATOM 757 O ALA A 48 11.740 3.065 2.479 1.00 0.00 O ATOM 758 CB ALA A 48 9.978 0.328 1.582 1.00 0.00 C ATOM 0 H ALA A 48 11.717 -1.201 1.989 1.00 0.00 H new ATOM 0 HA ALA A 48 11.626 1.379 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.278 1.145 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.859 -0.424 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.776 -0.123 2.554 1.00 0.00 H new ATOM 764 N LYS A 49 11.769 1.381 3.941 1.00 0.00 N ATOM 765 CA LYS A 49 12.070 2.240 5.138 1.00 0.00 C ATOM 766 C LYS A 49 13.466 2.837 4.935 1.00 0.00 C ATOM 767 O LYS A 49 13.713 4.005 5.161 1.00 0.00 O ATOM 768 CB LYS A 49 12.096 1.258 6.333 1.00 0.00 C ATOM 769 CG LYS A 49 10.698 0.755 6.693 1.00 0.00 C ATOM 770 CD LYS A 49 9.784 1.923 7.014 1.00 0.00 C ATOM 771 CE LYS A 49 8.562 1.396 7.766 1.00 0.00 C ATOM 772 NZ LYS A 49 8.386 2.294 8.948 1.00 0.00 N ATOM 0 H LYS A 49 11.682 0.388 4.158 1.00 0.00 H new ATOM 0 HA LYS A 49 11.352 3.045 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.735 0.409 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.537 1.752 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.286 0.180 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.755 0.083 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.311 2.660 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.476 2.425 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.677 1.410 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.713 0.363 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.563 1.982 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.238 2.256 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.234 3.270 8.623 1.00 0.00 H new ATOM 786 N LYS A 50 14.349 1.993 4.451 1.00 0.00 N ATOM 787 CA LYS A 50 15.755 2.373 4.125 1.00 0.00 C ATOM 788 C LYS A 50 15.730 3.448 3.027 1.00 0.00 C ATOM 789 O LYS A 50 16.478 4.406 3.074 1.00 0.00 O ATOM 790 CB LYS A 50 16.355 1.033 3.646 1.00 0.00 C ATOM 791 CG LYS A 50 17.573 1.205 2.733 1.00 0.00 C ATOM 792 CD LYS A 50 17.694 -0.048 1.846 1.00 0.00 C ATOM 793 CE LYS A 50 18.174 -1.240 2.692 1.00 0.00 C ATOM 794 NZ LYS A 50 18.786 -2.198 1.722 1.00 0.00 N ATOM 0 H LYS A 50 14.137 1.013 4.262 1.00 0.00 H new ATOM 0 HA LYS A 50 16.333 2.802 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.642 0.440 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.588 0.469 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.462 2.097 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.477 1.338 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.730 -0.277 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.395 0.138 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.900 -0.923 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.344 -1.701 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.134 -3.034 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.071 -2.490 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.579 -1.737 1.232 1.00 0.00 H new ATOM 808 N LEU A 51 14.834 3.299 2.066 1.00 0.00 N ATOM 809 CA LEU A 51 14.691 4.311 0.973 1.00 0.00 C ATOM 810 C LEU A 51 14.081 5.592 1.531 1.00 0.00 C ATOM 811 O LEU A 51 14.423 6.674 1.112 1.00 0.00 O ATOM 812 CB LEU A 51 13.730 3.683 -0.042 1.00 0.00 C ATOM 813 CG LEU A 51 14.483 3.084 -1.236 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.805 2.445 -0.804 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.610 2.011 -1.857 1.00 0.00 C ATOM 0 H LEU A 51 14.193 2.509 1.999 1.00 0.00 H new ATOM 0 HA LEU A 51 15.652 4.565 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.142 2.905 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.028 4.439 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 51 14.704 3.883 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.311 2.031 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.440 3.200 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.607 1.648 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.126 1.570 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.404 1.237 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.671 2.454 -2.190 1.00 0.00 H new ATOM 827 N ASN A 52 13.176 5.462 2.476 1.00 0.00 N ATOM 828 CA ASN A 52 12.525 6.654 3.088 1.00 0.00 C ATOM 829 C ASN A 52 13.583 7.573 3.724 1.00 0.00 C ATOM 830 O ASN A 52 13.535 8.774 3.562 1.00 0.00 O ATOM 831 CB ASN A 52 11.582 6.089 4.153 1.00 0.00 C ATOM 832 CG ASN A 52 10.679 7.200 4.674 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.806 7.662 3.976 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.863 7.655 5.880 1.00 0.00 N ATOM 0 H ASN A 52 12.861 4.567 2.849 1.00 0.00 H new ATOM 0 HA ASN A 52 11.990 7.256 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.980 5.285 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.158 5.660 4.973 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.270 8.403 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.600 7.263 6.466 1.00 0.00 H new ATOM 841 N ASP A 53 14.543 7.001 4.427 1.00 0.00 N ATOM 842 CA ASP A 53 15.628 7.828 5.068 1.00 0.00 C ATOM 843 C ASP A 53 16.715 8.200 4.042 1.00 0.00 C ATOM 844 O ASP A 53 17.224 9.309 4.054 1.00 0.00 O ATOM 845 CB ASP A 53 16.224 6.952 6.182 1.00 0.00 C ATOM 846 CG ASP A 53 15.144 6.585 7.216 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.561 7.490 7.795 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.924 5.402 7.413 1.00 0.00 O ATOM 0 H ASP A 53 14.621 5.996 4.584 1.00 0.00 H new ATOM 0 HA ASP A 53 15.229 8.764 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.647 6.044 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.040 7.483 6.673 1.00 0.00 H new ATOM 853 N ALA A 54 17.068 7.282 3.156 1.00 0.00 N ATOM 854 CA ALA A 54 18.122 7.572 2.114 1.00 0.00 C ATOM 855 C ALA A 54 17.609 8.623 1.113 1.00 0.00 C ATOM 856 O ALA A 54 18.320 9.548 0.762 1.00 0.00 O ATOM 857 CB ALA A 54 18.377 6.236 1.408 1.00 0.00 C ATOM 0 H ALA A 54 16.670 6.344 3.111 1.00 0.00 H new ATOM 0 HA ALA A 54 19.033 7.974 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.134 6.371 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.726 5.502 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.452 5.883 0.951 1.00 0.00 H new ATOM 863 N GLN A 55 16.368 8.492 0.682 1.00 0.00 N ATOM 864 CA GLN A 55 15.765 9.486 -0.272 1.00 0.00 C ATOM 865 C GLN A 55 15.121 10.669 0.498 1.00 0.00 C ATOM 866 O GLN A 55 14.527 11.546 -0.108 1.00 0.00 O ATOM 867 CB GLN A 55 14.680 8.719 -1.045 1.00 0.00 C ATOM 868 CG GLN A 55 15.282 7.508 -1.785 1.00 0.00 C ATOM 869 CD GLN A 55 14.170 6.765 -2.533 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.286 6.499 -3.711 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.087 6.416 -1.890 1.00 0.00 N ATOM 0 H GLN A 55 15.744 7.732 0.954 1.00 0.00 H new ATOM 0 HA GLN A 55 16.524 9.905 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.907 8.381 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.199 9.385 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.048 7.840 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.768 6.839 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.988 6.639 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.341 5.921 -2.379 1.00 0.00 H new ATOM 880 N ALA A 56 15.225 10.695 1.826 1.00 0.00 N ATOM 881 CA ALA A 56 14.610 11.811 2.627 1.00 0.00 C ATOM 882 C ALA A 56 15.341 13.138 2.410 1.00 0.00 C ATOM 883 O ALA A 56 16.519 13.158 2.089 1.00 0.00 O ATOM 884 CB ALA A 56 14.732 11.411 4.099 1.00 0.00 C ATOM 0 H ALA A 56 15.710 9.989 2.379 1.00 0.00 H new ATOM 0 HA ALA A 56 13.575 11.957 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.299 12.191 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.201 10.474 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.784 11.283 4.355 1.00 0.00 H new ATOM 1014 N ASN B 6 0.141 -5.476 -9.089 1.00 0.00 N ATOM 1015 CA ASN B 6 1.103 -4.667 -8.247 1.00 0.00 C ATOM 1016 C ASN B 6 1.102 -3.191 -8.656 1.00 0.00 C ATOM 1017 O ASN B 6 1.084 -2.310 -7.813 1.00 0.00 O ATOM 1018 CB ASN B 6 2.507 -5.269 -8.456 1.00 0.00 C ATOM 1019 CG ASN B 6 2.499 -6.809 -8.350 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.655 -7.388 -7.702 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.404 -7.501 -8.988 1.00 0.00 N ATOM 0 HA ASN B 6 0.804 -4.709 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.885 -4.975 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.191 -4.858 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.396 -8.520 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.119 -7.023 -9.536 1.00 0.00 H new ATOM 1028 N LYS B 7 1.097 -2.922 -9.942 1.00 0.00 N ATOM 1029 CA LYS B 7 1.065 -1.498 -10.436 1.00 0.00 C ATOM 1030 C LYS B 7 -0.198 -0.806 -9.932 1.00 0.00 C ATOM 1031 O LYS B 7 -0.175 0.356 -9.564 1.00 0.00 O ATOM 1032 CB LYS B 7 1.057 -1.585 -11.966 1.00 0.00 C ATOM 1033 CG LYS B 7 1.338 -0.200 -12.567 1.00 0.00 C ATOM 1034 CD LYS B 7 0.362 0.079 -13.718 1.00 0.00 C ATOM 1035 CE LYS B 7 -0.856 0.860 -13.190 1.00 0.00 C ATOM 1036 NZ LYS B 7 -1.972 -0.131 -13.114 1.00 0.00 N ATOM 0 H LYS B 7 1.114 -3.629 -10.677 1.00 0.00 H new ATOM 0 HA LYS B 7 1.918 -0.922 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.810 -2.297 -12.303 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.092 -1.953 -12.313 1.00 0.00 H new ATOM 0 HG2 LYS B 7 1.236 0.567 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.365 -0.153 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.861 0.651 -14.500 1.00 0.00 H new ATOM 0 HD3 LYS B 7 0.037 -0.859 -14.167 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.649 1.292 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.110 1.685 -13.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.843 0.349 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.121 -0.558 -14.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.730 -0.875 -12.429 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.286 -1.532 -9.895 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.568 -0.964 -9.390 1.00 0.00 C ATOM 1052 C GLU B 8 -2.468 -0.644 -7.904 1.00 0.00 C ATOM 1053 O GLU B 8 -3.045 0.315 -7.470 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.636 -2.024 -9.672 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.302 -1.717 -11.015 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.053 -2.950 -11.523 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -4.413 -3.800 -12.123 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.252 -3.022 -11.308 1.00 0.00 O ATOM 0 H GLU B 8 -1.339 -2.505 -10.197 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.816 -0.024 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.185 -3.016 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.380 -2.030 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.992 -0.881 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.549 -1.415 -11.743 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.719 -1.398 -7.130 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.588 -1.054 -5.667 1.00 0.00 C ATOM 1067 C LEU B 9 -0.779 0.226 -5.496 1.00 0.00 C ATOM 1068 O LEU B 9 -0.999 0.971 -4.563 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.860 -2.174 -4.936 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.490 -3.540 -5.205 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.507 -4.640 -4.755 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.799 -3.623 -4.403 1.00 0.00 C ATOM 0 H LEU B 9 -1.201 -2.221 -7.436 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.589 -0.920 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.185 -2.190 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.872 -1.975 -3.864 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.702 -3.676 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.947 -5.620 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.424 -4.547 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.303 -4.532 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.271 -4.590 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.583 -3.510 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.472 -2.828 -4.722 1.00 0.00 H new ATOM 1084 N SER B 10 0.147 0.496 -6.392 1.00 0.00 N ATOM 1085 CA SER B 10 0.940 1.750 -6.277 1.00 0.00 C ATOM 1086 C SER B 10 -0.018 2.947 -6.437 1.00 0.00 C ATOM 1087 O SER B 10 0.015 3.882 -5.660 1.00 0.00 O ATOM 1088 CB SER B 10 1.966 1.688 -7.404 1.00 0.00 C ATOM 1089 OG SER B 10 2.657 2.929 -7.480 1.00 0.00 O ATOM 0 H SER B 10 0.381 -0.097 -7.188 1.00 0.00 H new ATOM 0 HA SER B 10 1.443 1.861 -5.316 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.671 0.876 -7.225 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.470 1.476 -8.351 1.00 0.00 H new ATOM 0 HG SER B 10 2.097 3.588 -7.942 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.899 2.886 -7.424 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.891 3.998 -7.655 1.00 0.00 C ATOM 1097 C VAL B 11 -3.100 3.851 -6.705 1.00 0.00 C ATOM 1098 O VAL B 11 -3.439 4.774 -5.984 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.342 3.853 -9.126 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.170 5.075 -9.533 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.119 3.733 -10.056 1.00 0.00 C ATOM 0 H VAL B 11 -0.971 2.109 -8.081 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.451 4.976 -7.461 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.946 2.950 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.487 4.971 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.048 5.150 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.565 5.976 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.455 3.632 -11.088 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.501 4.626 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.534 2.856 -9.777 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.741 2.694 -6.712 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.933 2.441 -5.828 1.00 0.00 C ATOM 1113 C ALA B 12 -4.554 2.524 -4.355 1.00 0.00 C ATOM 1114 O ALA B 12 -5.184 3.213 -3.583 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.416 1.013 -6.165 1.00 0.00 C ATOM 0 H ALA B 12 -3.482 1.904 -7.303 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.708 3.188 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.284 0.769 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.689 0.960 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.616 0.301 -5.961 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.526 1.817 -3.981 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.063 1.786 -2.571 1.00 0.00 C ATOM 1123 C GLY B 13 -2.615 3.157 -2.097 1.00 0.00 C ATOM 1124 O GLY B 13 -3.061 3.613 -1.067 1.00 0.00 O ATOM 0 H GLY B 13 -2.972 1.242 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.868 1.425 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.238 1.080 -2.474 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.714 3.797 -2.813 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.203 5.129 -2.345 1.00 0.00 C ATOM 1130 C ARG B 14 -2.321 6.191 -2.239 1.00 0.00 C ATOM 1131 O ARG B 14 -2.316 6.986 -1.317 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.127 5.560 -3.335 1.00 0.00 C ATOM 1133 CG ARG B 14 0.684 6.709 -2.727 1.00 0.00 C ATOM 1134 CD ARG B 14 1.445 6.215 -1.495 1.00 0.00 C ATOM 1135 NE ARG B 14 2.844 6.719 -1.643 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.158 7.939 -1.283 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.110 8.914 -2.159 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.534 8.177 -0.049 1.00 0.00 N ATOM 0 H ARG B 14 -1.316 3.459 -3.689 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.799 5.036 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.528 4.720 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.584 5.877 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.384 7.101 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.020 7.528 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.990 6.591 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.427 5.127 -1.436 1.00 0.00 H new ATOM 0 HE ARG B 14 3.563 6.106 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.828 8.722 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.354 9.864 -1.879 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.581 7.414 0.626 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.779 9.125 0.235 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.287 6.205 -3.143 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.403 7.215 -3.020 1.00 0.00 C ATOM 1154 C GLU B 15 -5.244 6.867 -1.772 1.00 0.00 C ATOM 1155 O GLU B 15 -5.581 7.733 -0.988 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.221 7.117 -4.310 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.441 7.769 -5.464 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.306 7.821 -6.730 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.316 8.512 -6.715 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -4.935 7.178 -7.699 1.00 0.00 O ATOM 0 H GLU B 15 -3.351 5.576 -3.943 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.041 8.236 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.429 6.073 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.183 7.613 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.136 8.777 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.530 7.204 -5.661 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.503 5.585 -1.556 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.236 5.109 -0.325 1.00 0.00 C ATOM 1169 C ILE B 16 -5.356 5.380 0.930 1.00 0.00 C ATOM 1170 O ILE B 16 -5.854 5.559 2.025 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.457 3.595 -0.566 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.465 3.421 -1.715 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.014 2.919 0.693 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.371 2.020 -2.319 1.00 0.00 C ATOM 0 H ILE B 16 -5.231 4.838 -2.195 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.184 5.619 -0.153 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.502 3.133 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.476 3.595 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.275 4.167 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.161 1.856 0.500 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.310 3.045 1.515 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.968 3.375 0.959 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.094 1.924 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.366 1.858 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.586 1.277 -1.551 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.047 5.434 0.743 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.078 5.720 1.859 1.00 0.00 C ATOM 1188 C VAL B 17 -3.184 7.187 2.306 1.00 0.00 C ATOM 1189 O VAL B 17 -3.004 7.483 3.473 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.671 5.437 1.257 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.560 6.213 1.978 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.365 3.955 1.345 1.00 0.00 C ATOM 0 H VAL B 17 -3.602 5.287 -0.163 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.279 5.108 2.738 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.696 5.767 0.218 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.402 5.981 1.520 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.752 7.283 1.897 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.540 5.927 3.030 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.379 3.761 0.922 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.380 3.642 2.389 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.115 3.395 0.787 1.00 0.00 H new ATOM 1202 N THR B 18 -3.419 8.107 1.387 1.00 0.00 N ATOM 1203 CA THR B 18 -3.469 9.550 1.778 1.00 0.00 C ATOM 1204 C THR B 18 -4.604 10.336 1.079 1.00 0.00 C ATOM 1205 O THR B 18 -4.415 11.496 0.735 1.00 0.00 O ATOM 1206 CB THR B 18 -2.065 10.090 1.405 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.914 11.411 1.906 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.859 10.090 -0.121 1.00 0.00 C ATOM 0 H THR B 18 -3.576 7.917 0.397 1.00 0.00 H new ATOM 0 HA THR B 18 -3.698 9.670 2.837 1.00 0.00 H new ATOM 0 HB THR B 18 -1.316 9.436 1.852 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.700 11.945 1.664 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.866 10.474 -0.354 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.953 9.073 -0.501 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.612 10.724 -0.590 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.794 9.760 0.894 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.905 10.568 0.258 1.00 0.00 C ATOM 1218 C LEU B 19 -7.246 11.788 1.174 1.00 0.00 C ATOM 1219 O LEU B 19 -6.794 11.847 2.308 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.091 9.617 0.037 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.452 8.872 1.314 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.950 8.979 1.512 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.041 7.396 1.195 1.00 0.00 C ATOM 0 H LEU B 19 -6.032 8.801 1.147 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.618 10.985 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.954 10.184 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.844 8.901 -0.746 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.927 9.306 2.165 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.235 8.452 2.423 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.232 10.029 1.597 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.462 8.533 0.659 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.303 6.870 2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.563 6.940 0.354 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.965 7.330 1.033 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.945 12.768 0.624 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.228 14.052 1.359 1.00 0.00 C ATOM 1237 C PRO B 20 -8.969 13.945 2.714 1.00 0.00 C ATOM 1238 O PRO B 20 -8.756 14.800 3.559 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.038 14.867 0.345 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.622 13.850 -0.570 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.569 12.787 -0.712 1.00 0.00 C ATOM 0 HA PRO B 20 -7.286 14.500 1.674 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.816 15.452 0.836 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.404 15.570 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.544 13.437 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.870 14.288 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.002 11.821 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.848 13.033 -1.492 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.845 12.978 2.943 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.583 12.960 4.272 1.00 0.00 C ATOM 1251 C ASN B 21 -10.582 11.594 4.992 1.00 0.00 C ATOM 1252 O ASN B 21 -11.491 11.323 5.764 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.028 13.330 3.923 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.148 14.773 3.412 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.423 15.656 3.830 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.062 15.054 2.525 1.00 0.00 N ATOM 0 H ASN B 21 -10.078 12.225 2.296 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.088 13.644 4.961 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.404 12.645 3.163 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.657 13.205 4.805 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.166 16.010 2.185 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.673 14.318 2.171 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.607 10.734 4.785 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.634 9.411 5.507 1.00 0.00 C ATOM 1265 C LEU B 22 -8.763 9.433 6.760 1.00 0.00 C ATOM 1266 O LEU B 22 -7.796 10.170 6.859 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.077 8.371 4.553 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.680 6.992 4.851 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.953 6.786 4.025 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.654 5.916 4.495 1.00 0.00 C ATOM 0 H LEU B 22 -8.812 10.882 4.164 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.656 9.190 5.814 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.298 8.657 3.525 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.992 8.328 4.646 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.935 6.926 5.909 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.374 5.804 4.243 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.680 7.557 4.279 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.712 6.850 2.964 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.072 4.931 4.703 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.404 5.988 3.437 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.753 6.061 5.091 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.093 8.575 7.688 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.284 8.455 8.953 1.00 0.00 C ATOM 1284 C ASN B 23 -7.314 7.253 8.842 1.00 0.00 C ATOM 1285 O ASN B 23 -7.494 6.381 8.007 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.291 8.303 10.122 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.196 7.064 9.969 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.831 6.092 9.350 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.374 7.060 10.528 1.00 0.00 N ATOM 0 H ASN B 23 -9.893 7.944 7.631 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.664 9.334 9.127 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.743 8.234 11.062 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.912 9.197 10.180 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.977 6.242 10.441 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.692 7.875 11.053 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.269 7.233 9.651 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.241 6.128 9.578 1.00 0.00 C ATOM 1298 C ASP B 24 -5.800 4.681 9.764 1.00 0.00 C ATOM 1299 O ASP B 24 -5.290 3.786 9.107 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.142 6.464 10.618 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.671 6.418 12.057 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.199 7.424 12.506 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.529 5.382 12.687 1.00 0.00 O ATOM 0 H ASP B 24 -6.083 7.939 10.363 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.843 6.101 8.564 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.318 5.759 10.513 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.741 7.456 10.412 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.798 4.453 10.628 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.315 3.057 10.807 1.00 0.00 C ATOM 1310 C PRO B 25 -8.039 2.538 9.544 1.00 0.00 C ATOM 1311 O PRO B 25 -7.879 1.380 9.179 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.277 3.172 11.990 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.700 4.601 12.003 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.533 5.400 11.495 1.00 0.00 C ATOM 0 HA PRO B 25 -6.511 2.341 10.981 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.133 2.508 11.869 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.789 2.896 12.925 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.576 4.751 11.372 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.975 4.914 13.010 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.863 6.277 10.938 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.909 5.758 12.313 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.827 3.373 8.879 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.555 2.904 7.651 1.00 0.00 C ATOM 1324 C GLN B 26 -8.575 2.622 6.509 1.00 0.00 C ATOM 1325 O GLN B 26 -8.691 1.597 5.871 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.557 4.009 7.288 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.667 4.043 8.355 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.767 5.037 7.970 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.936 4.747 8.129 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.455 6.207 7.487 1.00 0.00 N ATOM 0 H GLN B 26 -8.991 4.346 9.136 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.078 1.965 7.834 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.053 4.974 7.237 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.986 3.821 6.304 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.096 3.048 8.471 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.241 4.321 9.319 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.476 6.458 7.351 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.190 6.872 7.245 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.602 3.496 6.257 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.613 3.218 5.147 1.00 0.00 C ATOM 1341 C LYS B 27 -5.843 1.928 5.413 1.00 0.00 C ATOM 1342 O LYS B 27 -5.589 1.181 4.492 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.629 4.396 5.009 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.142 4.974 6.346 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.512 6.353 6.091 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.614 7.420 5.965 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.025 8.526 5.153 1.00 0.00 N ATOM 0 H LYS B 27 -7.456 4.370 6.763 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.169 3.101 4.217 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.764 4.066 4.433 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.109 5.190 4.437 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.974 5.063 7.044 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.413 4.305 6.803 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.837 6.610 6.907 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.914 6.326 5.180 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.500 7.010 5.481 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.924 7.779 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.778 9.000 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.565 9.213 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.321 8.136 4.494 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.483 1.648 6.656 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.750 0.365 6.945 1.00 0.00 C ATOM 1363 C LYS B 28 -5.629 -0.817 6.505 1.00 0.00 C ATOM 1364 O LYS B 28 -5.235 -1.601 5.674 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.534 0.284 8.474 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.300 1.079 8.881 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.298 0.191 9.634 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.295 -0.435 8.662 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.844 -1.700 9.316 1.00 0.00 N ATOM 0 H LYS B 28 -5.662 2.242 7.466 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.798 0.333 6.416 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.411 0.672 8.992 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.419 -0.757 8.776 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.825 1.499 7.995 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.595 1.917 9.512 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.768 0.783 10.380 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.831 -0.594 10.170 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.758 -0.636 7.696 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.454 0.234 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.165 -1.625 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.397 -1.859 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.985 -2.498 8.664 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.842 -0.915 7.031 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.772 -2.031 6.616 1.00 0.00 C ATOM 1385 C ALA B 29 -8.037 -1.969 5.096 1.00 0.00 C ATOM 1386 O ALA B 29 -8.198 -2.990 4.448 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.070 -1.794 7.396 1.00 0.00 C ATOM 0 H ALA B 29 -7.224 -0.273 7.726 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.348 -3.013 6.827 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.793 -2.569 7.143 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.863 -1.826 8.466 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.479 -0.818 7.135 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.065 -0.773 4.538 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.299 -0.591 3.064 1.00 0.00 C ATOM 1395 C PHE B 30 -7.140 -1.155 2.250 1.00 0.00 C ATOM 1396 O PHE B 30 -7.337 -1.933 1.339 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.364 0.927 2.857 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.704 1.313 2.322 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.001 1.061 0.986 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.646 1.916 3.157 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.249 1.410 0.482 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.895 2.268 2.652 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.197 2.016 1.315 1.00 0.00 C ATOM 0 H PHE B 30 -7.933 0.097 5.053 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.203 -1.107 2.742 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.179 1.439 3.801 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.583 1.242 2.165 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.266 0.597 0.344 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.407 2.109 4.192 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.487 1.213 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.627 2.735 3.294 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.165 2.289 0.921 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.937 -0.762 2.573 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.745 -1.273 1.835 1.00 0.00 C ATOM 1415 C ILE B 31 -4.594 -2.768 2.098 1.00 0.00 C ATOM 1416 O ILE B 31 -4.277 -3.526 1.206 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.562 -0.490 2.404 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.520 0.882 1.702 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.234 -1.268 2.209 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.096 1.280 1.426 1.00 0.00 C ATOM 0 H ILE B 31 -5.727 -0.103 3.323 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.822 -1.143 0.756 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.685 -0.350 3.478 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.081 0.838 0.768 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.001 1.634 2.328 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.409 -0.688 2.623 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.296 -2.228 2.722 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.063 -1.435 1.146 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.079 2.250 0.930 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.547 1.343 2.366 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.628 0.535 0.782 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.821 -3.187 3.325 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.704 -4.632 3.655 1.00 0.00 C ATOM 1434 C PHE B 32 -5.750 -5.420 2.827 1.00 0.00 C ATOM 1435 O PHE B 32 -5.459 -6.506 2.365 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.885 -4.728 5.184 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.548 -4.421 5.884 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.896 -3.152 5.730 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.922 -5.414 6.691 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.691 -2.918 6.364 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.710 -5.143 7.296 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.106 -3.913 7.140 1.00 0.00 C ATOM 0 H PHE B 32 -5.082 -2.584 4.106 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.742 -5.075 3.396 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.650 -4.025 5.514 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.229 -5.725 5.457 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.346 -2.382 5.120 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.393 -6.376 6.829 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.202 -1.961 6.257 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.231 -5.902 7.897 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.163 -3.719 7.629 1.00 0.00 H new ATOM 1452 N SER B 33 -6.934 -4.852 2.543 1.00 0.00 N ATOM 1453 CA SER B 33 -7.902 -5.581 1.644 1.00 0.00 C ATOM 1454 C SER B 33 -7.443 -5.406 0.168 1.00 0.00 C ATOM 1455 O SER B 33 -7.594 -6.307 -0.636 1.00 0.00 O ATOM 1456 CB SER B 33 -9.295 -4.979 1.896 1.00 0.00 C ATOM 1457 OG SER B 33 -9.330 -3.618 1.509 1.00 0.00 O ATOM 0 H SER B 33 -7.250 -3.946 2.889 1.00 0.00 H new ATOM 0 HA SER B 33 -7.936 -6.651 1.849 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.045 -5.540 1.339 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.550 -5.068 2.952 1.00 0.00 H new ATOM 0 HG SER B 33 -8.422 -3.249 1.528 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.831 -4.265 -0.162 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.282 -4.022 -1.553 1.00 0.00 C ATOM 1465 C LEU B 34 -5.168 -5.043 -1.839 1.00 0.00 C ATOM 1466 O LEU B 34 -5.093 -5.606 -2.915 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.707 -2.585 -1.507 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.098 -2.174 -2.847 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.196 -1.744 -3.822 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.130 -1.000 -2.631 1.00 0.00 C ATOM 0 H LEU B 34 -6.691 -3.489 0.485 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.034 -4.128 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.498 -1.885 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.947 -2.522 -0.728 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.563 -3.027 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.746 -1.454 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.884 -2.574 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.741 -0.897 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.695 -0.706 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.671 -0.156 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.336 -1.304 -1.949 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.320 -5.289 -0.859 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.212 -6.281 -1.008 1.00 0.00 C ATOM 1484 C TRP B 35 -3.771 -7.707 -1.179 1.00 0.00 C ATOM 1485 O TRP B 35 -3.289 -8.470 -1.994 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.424 -6.202 0.295 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.191 -7.018 0.142 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.952 -8.196 0.751 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.045 -6.752 -0.698 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.279 -8.657 0.355 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.883 -7.794 -0.533 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.280 -5.705 -1.570 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.094 -7.796 -1.208 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.496 -5.704 -2.250 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.398 -6.743 -2.068 1.00 0.00 C ATOM 0 H TRP B 35 -4.356 -4.832 0.052 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.602 -6.063 -1.884 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.169 -5.167 0.523 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.025 -6.573 1.126 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.619 -8.695 1.438 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.695 -9.530 0.678 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.417 -4.893 -1.716 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.795 -8.606 -1.068 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.737 -4.893 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.340 -6.735 -2.596 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.777 -8.062 -0.396 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.374 -9.432 -0.482 1.00 0.00 C ATOM 1508 C ASP B 36 -6.127 -9.602 -1.802 1.00 0.00 C ATOM 1509 O ASP B 36 -5.991 -10.617 -2.463 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.339 -9.538 0.711 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.570 -11.012 1.056 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.482 -11.597 0.496 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.830 -11.531 1.878 1.00 0.00 O ATOM 0 H ASP B 36 -5.206 -7.452 0.300 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.611 -10.210 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.927 -9.013 1.573 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.287 -9.058 0.468 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.914 -8.612 -2.191 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.673 -8.715 -3.468 1.00 0.00 C ATOM 1520 C ASP B 37 -7.569 -7.399 -4.262 1.00 0.00 C ATOM 1521 O ASP B 37 -8.501 -6.605 -4.264 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.145 -9.018 -3.092 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.234 -10.103 -2.005 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.041 -11.263 -2.330 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.495 -9.749 -0.865 1.00 0.00 O ATOM 0 H ASP B 37 -7.055 -7.745 -1.673 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.269 -9.504 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.627 -8.106 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.689 -9.343 -3.979 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.445 -7.206 -4.945 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.265 -5.983 -5.776 1.00 0.00 C ATOM 1532 C PRO B 38 -7.181 -5.995 -7.016 1.00 0.00 C ATOM 1533 O PRO B 38 -7.245 -5.011 -7.727 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.810 -6.011 -6.177 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.425 -7.456 -6.107 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.256 -8.074 -5.009 1.00 0.00 C ATOM 0 HA PRO B 38 -6.531 -5.078 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.668 -5.611 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.202 -5.406 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.611 -7.953 -7.059 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.361 -7.563 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.524 -9.105 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.719 -8.090 -4.060 1.00 0.00 H new ATOM 1544 N SER B 39 -7.925 -7.070 -7.260 1.00 0.00 N ATOM 1545 CA SER B 39 -8.884 -7.078 -8.420 1.00 0.00 C ATOM 1546 C SER B 39 -9.895 -5.937 -8.194 1.00 0.00 C ATOM 1547 O SER B 39 -10.321 -5.276 -9.122 1.00 0.00 O ATOM 1548 CB SER B 39 -9.585 -8.438 -8.375 1.00 0.00 C ATOM 1549 OG SER B 39 -9.729 -8.938 -9.698 1.00 0.00 O ATOM 0 H SER B 39 -7.905 -7.928 -6.709 1.00 0.00 H new ATOM 0 HA SER B 39 -8.398 -6.932 -9.385 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.007 -9.138 -7.771 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.563 -8.340 -7.903 1.00 0.00 H new ATOM 0 HG SER B 39 -10.176 -9.810 -9.671 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.223 -5.685 -6.931 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.147 -4.559 -6.565 1.00 0.00 C ATOM 1557 C GLN B 40 -10.326 -3.274 -6.291 1.00 0.00 C ATOM 1558 O GLN B 40 -10.816 -2.386 -5.630 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.851 -4.960 -5.240 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.219 -6.450 -5.170 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.052 -6.881 -6.387 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -13.945 -6.174 -6.820 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.802 -8.031 -6.954 1.00 0.00 N ATOM 0 H GLN B 40 -9.880 -6.224 -6.136 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.857 -4.376 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.198 -4.715 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.756 -4.364 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.310 -7.049 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.780 -6.645 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.055 -8.625 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.354 -8.335 -7.757 1.00 0.00 H new ATOM 1572 N SER B 41 -9.078 -3.177 -6.747 1.00 0.00 N ATOM 1573 CA SER B 41 -8.241 -1.956 -6.453 1.00 0.00 C ATOM 1574 C SER B 41 -8.910 -0.667 -6.954 1.00 0.00 C ATOM 1575 O SER B 41 -8.902 0.334 -6.259 1.00 0.00 O ATOM 1576 CB SER B 41 -6.900 -2.165 -7.146 1.00 0.00 C ATOM 1577 OG SER B 41 -7.080 -2.274 -8.555 1.00 0.00 O ATOM 0 H SER B 41 -8.612 -3.891 -7.307 1.00 0.00 H new ATOM 0 HA SER B 41 -8.120 -1.838 -5.376 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.234 -1.332 -6.922 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.422 -3.067 -6.763 1.00 0.00 H new ATOM 0 HG SER B 41 -7.215 -3.214 -8.796 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.519 -0.695 -8.130 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.233 0.527 -8.642 1.00 0.00 C ATOM 1585 C ALA B 42 -11.407 0.827 -7.698 1.00 0.00 C ATOM 1586 O ALA B 42 -11.607 1.957 -7.287 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.735 0.161 -10.045 1.00 0.00 C ATOM 0 H ALA B 42 -9.550 -1.505 -8.749 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.596 1.410 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.265 1.011 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.887 -0.096 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.410 -0.692 -9.979 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.144 -0.206 -7.319 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.275 -0.043 -6.359 1.00 0.00 C ATOM 1595 C ASN B 43 -12.745 0.376 -4.972 1.00 0.00 C ATOM 1596 O ASN B 43 -13.399 1.116 -4.273 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.959 -1.418 -6.282 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.249 -1.310 -5.456 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.277 -1.702 -4.306 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.322 -0.792 -5.993 1.00 0.00 N ATOM 0 H ASN B 43 -11.999 -1.162 -7.644 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.970 0.732 -6.683 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.187 -1.778 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.285 -2.145 -5.828 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.180 -0.717 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.301 -0.462 -6.958 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.563 -0.090 -4.578 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.983 0.284 -3.241 1.00 0.00 C ATOM 1609 C LEU B 44 -10.618 1.761 -3.218 1.00 0.00 C ATOM 1610 O LEU B 44 -10.982 2.484 -2.319 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.731 -0.585 -3.093 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.081 -1.842 -2.306 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.285 -3.033 -2.850 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.739 -1.595 -0.834 1.00 0.00 C ATOM 0 H LEU B 44 -10.980 -0.715 -5.134 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.688 0.122 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.342 -0.853 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.946 -0.028 -2.581 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.142 -2.070 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.539 -3.929 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.531 -3.186 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.218 -2.832 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.982 -2.483 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.675 -1.378 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.317 -0.748 -0.463 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.927 2.196 -4.231 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.538 3.640 -4.352 1.00 0.00 C ATOM 1628 C LEU B 45 -10.809 4.502 -4.344 1.00 0.00 C ATOM 1629 O LEU B 45 -10.876 5.513 -3.663 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.811 3.755 -5.701 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.613 4.698 -5.574 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.005 4.933 -6.957 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.059 6.030 -4.971 1.00 0.00 C ATOM 0 H LEU B 45 -9.606 1.606 -4.999 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.903 3.978 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.476 2.771 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.497 4.127 -6.462 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.866 4.247 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.151 5.605 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.677 3.982 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.753 5.380 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.200 6.696 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.809 6.488 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.486 5.857 -3.983 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.829 4.069 -5.063 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.135 4.802 -5.078 1.00 0.00 C ATOM 1647 C ALA B 46 -13.768 4.724 -3.682 1.00 0.00 C ATOM 1648 O ALA B 46 -14.214 5.717 -3.147 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.994 4.051 -6.089 1.00 0.00 C ATOM 0 H ALA B 46 -11.806 3.231 -5.643 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.029 5.855 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.972 4.527 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.509 4.072 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.116 3.017 -5.766 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.775 3.536 -3.092 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.338 3.335 -1.718 1.00 0.00 C ATOM 1657 C GLU B 47 -13.586 4.216 -0.708 1.00 0.00 C ATOM 1658 O GLU B 47 -14.169 4.726 0.225 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.122 1.843 -1.395 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.091 1.408 -0.287 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.534 1.428 -0.814 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.861 0.586 -1.639 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.282 2.299 -0.398 1.00 0.00 O ATOM 0 H GLU B 47 -13.405 2.688 -3.521 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.392 3.608 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.283 1.240 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.093 1.675 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.835 0.406 0.059 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.999 2.075 0.571 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.292 4.403 -0.918 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.471 5.268 -0.005 1.00 0.00 C ATOM 1672 C ALA B 48 -11.974 6.712 -0.112 1.00 0.00 C ATOM 1673 O ALA B 48 -12.264 7.343 0.886 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.017 5.141 -0.511 1.00 0.00 C ATOM 0 H ALA B 48 -11.771 3.987 -1.690 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.540 4.972 1.042 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.361 5.749 0.112 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.703 4.098 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.960 5.486 -1.543 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.121 7.214 -1.330 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.648 8.608 -1.536 1.00 0.00 C ATOM 1682 C LYS B 49 -14.097 8.701 -1.020 1.00 0.00 C ATOM 1683 O LYS B 49 -14.451 9.639 -0.330 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.590 8.855 -3.053 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.127 8.878 -3.522 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.065 9.193 -5.021 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.627 9.008 -5.530 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.003 10.368 -5.505 1.00 0.00 N ATOM 0 H LYS B 49 -11.896 6.712 -2.189 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.065 9.352 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.138 8.073 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.074 9.801 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.568 9.627 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.657 7.915 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.742 8.537 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.396 10.216 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.075 8.314 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.620 8.594 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.021 10.306 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.541 11.008 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.013 10.737 -4.533 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.921 7.711 -1.329 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.350 7.699 -0.840 1.00 0.00 C ATOM 1704 C LYS B 50 -16.384 7.700 0.698 1.00 0.00 C ATOM 1705 O LYS B 50 -17.167 8.411 1.303 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.960 6.395 -1.381 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.221 6.519 -2.889 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.253 5.123 -3.533 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.457 4.320 -3.018 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.210 2.911 -3.453 1.00 0.00 N ATOM 0 H LYS B 50 -14.662 6.908 -1.902 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.901 8.576 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.285 5.561 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.892 6.177 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.168 7.030 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.443 7.125 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.309 5.218 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.329 4.590 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.539 4.388 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.390 4.701 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.930 2.287 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.262 2.854 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.266 2.610 -3.136 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.519 6.920 1.327 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.464 6.879 2.826 1.00 0.00 C ATOM 1726 C LEU B 51 -14.972 8.233 3.369 1.00 0.00 C ATOM 1727 O LEU B 51 -15.500 8.728 4.353 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.500 5.728 3.167 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.348 5.570 4.692 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.722 5.589 5.381 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.660 4.234 4.982 1.00 0.00 C ATOM 0 H LEU B 51 -14.849 6.310 0.859 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.439 6.708 3.282 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.871 4.798 2.736 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.525 5.920 2.719 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.754 6.399 5.077 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.591 5.476 6.457 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.220 6.536 5.174 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.331 4.768 5.001 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.546 4.110 6.059 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.265 3.419 4.585 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.678 4.220 4.509 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.001 8.851 2.713 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.516 10.205 3.155 1.00 0.00 C ATOM 1745 C ASN B 52 -14.684 11.197 3.098 1.00 0.00 C ATOM 1746 O ASN B 52 -14.802 12.071 3.936 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.358 10.559 2.174 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.682 11.617 1.071 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.467 12.526 1.237 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.041 11.565 -0.056 1.00 0.00 N ATOM 0 H ASN B 52 -13.527 8.473 1.893 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.151 10.233 4.182 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.514 10.923 2.759 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.034 9.642 1.683 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.205 12.276 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.373 10.814 -0.229 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.541 11.053 2.096 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.707 11.970 1.937 1.00 0.00 C ATOM 1759 C ASP B 53 -17.676 11.838 3.126 1.00 0.00 C ATOM 1760 O ASP B 53 -18.314 12.802 3.515 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.401 11.533 0.640 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.361 12.631 0.170 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.907 13.539 -0.508 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.534 12.542 0.492 1.00 0.00 O ATOM 0 H ASP B 53 -15.470 10.328 1.382 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.390 13.012 1.901 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.657 11.333 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.948 10.605 0.804 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.786 10.649 3.702 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.708 10.435 4.867 1.00 0.00 C ATOM 1771 C ALA B 54 -18.208 11.215 6.096 1.00 0.00 C ATOM 1772 O ALA B 54 -18.994 11.760 6.852 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.672 8.926 5.122 1.00 0.00 C ATOM 0 H ALA B 54 -17.271 9.819 3.408 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.720 10.789 4.668 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.323 8.683 5.962 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.016 8.398 4.232 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.652 8.620 5.353 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.905 11.281 6.279 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.312 12.034 7.431 1.00 0.00 C ATOM 1781 C GLN B 55 -16.219 13.533 7.100 1.00 0.00 C ATOM 1782 O GLN B 55 -16.393 14.375 7.964 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.913 11.427 7.598 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.026 10.007 8.166 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.653 9.342 8.116 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.149 8.878 9.116 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.020 9.288 6.978 1.00 0.00 N ATOM 0 H GLN B 55 -16.220 10.837 5.667 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.910 11.955 8.339 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.400 11.404 6.637 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.314 12.048 8.264 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.391 10.040 9.192 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.747 9.427 7.590 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.447 9.679 6.138 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.098 8.854 6.927 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.922 13.860 5.854 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.780 15.291 5.433 1.00 0.00 C ATOM 1798 C ALA B 56 -16.119 15.461 3.939 1.00 0.00 C ATOM 1799 O ALA B 56 -15.951 14.535 3.177 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.303 15.577 5.657 1.00 0.00 C ATOM 0 H ALA B 56 -15.771 13.183 5.107 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.446 15.957 5.982 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.086 16.608 5.378 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.059 15.426 6.709 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.705 14.902 5.045 1.00 0.00 H new