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= -3.36! C(o=-8.2!,f=-9.2!) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.8! C(o=-8.2!,f=-13!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=0.39,f=0.34) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -146:sc= 0.387 (180deg=0.118) USER MOD Set 3.1: B 23 ASN : amide:sc= -5.1! C(o=-10!,f=-7.9!) USER MOD Set 3.2: B 26 GLN : amide:sc= -5.25! C(o=-10!,f=-8.9!) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -174:sc= 0.653 (180deg=0) USER MOD Set 4.2: A 52 ASN : amide:sc= -2.25! C(o=-1.6!,f=-8.9!) USER MOD Set 5.1: A 26 GLN : amide:sc= -0.466 K(o=-0.38,f=-4.2!) USER MOD Set 5.2: A 55 GLN : amide:sc= 0.0848 K(o=-0.38,f=-4.2) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= -0.79! USER MOD Set 6.2: A 18 HIS : no HD1:sc= -20.8! C(o=-22!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0.0482 X(o=0.048,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= -2.02 K(o=-2,f=-9!) USER MOD Single : A 21 ASN : amide:sc= -1.9! C(o=-1.9!,f=-2.2!) USER MOD Single : A 23 ASN : amide:sc= 0.529 K(o=0.53,f=-10!) USER MOD Single : A 28 ASN : amide:sc= -1.61 K(o=-1.6,f=-5!) USER MOD Single : A 32 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.8!) USER MOD Single : A 33 SER OG : rot 8:sc= -0.212 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.345 (180deg=0.306) USER MOD Single : A 39 SER OG : rot -42:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -97:sc= 0.311 USER MOD Single : A 43 ASN : amide:sc=-0.00211 X(o=-0.0021,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -3.9 K(o=-3.9,f=-10!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 64:sc= -2.09! USER MOD Single : B 18 THR OG1 : rot -51:sc= 0.819 USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.346 (180deg=0.192) USER MOD Single : B 33 SER OG : rot -15:sc= 0.0222 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -90:sc= 0.844 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 171:sc= -0.0987 (180deg=-0.217) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.422 -14.390 6.238 1.00 0.00 N ATOM 68 CA PHE A 5 3.723 -13.507 5.066 1.00 0.00 C ATOM 69 C PHE A 5 2.452 -12.822 4.536 1.00 0.00 C ATOM 70 O PHE A 5 2.532 -11.724 4.020 1.00 0.00 O ATOM 71 CB PHE A 5 4.348 -14.408 3.985 1.00 0.00 C ATOM 72 CG PHE A 5 5.726 -14.916 4.405 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.483 -14.246 5.384 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.247 -16.066 3.798 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.743 -14.726 5.749 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.510 -16.544 4.167 1.00 0.00 C ATOM 77 CZ PHE A 5 8.256 -15.873 5.142 1.00 0.00 C ATOM 0 HA PHE A 5 4.405 -12.707 5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.690 -15.256 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.433 -13.852 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.088 -13.358 5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.673 -16.585 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.320 -14.209 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.909 -17.432 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.230 -16.243 5.425 1.00 0.00 H new ATOM 87 N ASN A 6 1.288 -13.453 4.659 1.00 0.00 N ATOM 88 CA ASN A 6 0.013 -12.822 4.154 1.00 0.00 C ATOM 89 C ASN A 6 -0.151 -11.401 4.722 1.00 0.00 C ATOM 90 O ASN A 6 -0.399 -10.471 3.973 1.00 0.00 O ATOM 91 CB ASN A 6 -1.126 -13.734 4.640 1.00 0.00 C ATOM 92 CG ASN A 6 -2.468 -13.233 4.083 1.00 0.00 C ATOM 93 OD1 ASN A 6 -3.249 -12.641 4.801 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.770 -13.440 2.829 1.00 0.00 N ATOM 0 H ASN A 6 1.172 -14.372 5.086 1.00 0.00 H new ATOM 0 HA ASN A 6 0.016 -12.729 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.947 -14.759 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.155 -13.745 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.658 -13.105 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.117 -13.937 2.222 1.00 0.00 H new ATOM 101 N LYS A 7 0.024 -11.215 6.025 1.00 0.00 N ATOM 102 CA LYS A 7 -0.093 -9.835 6.598 1.00 0.00 C ATOM 103 C LYS A 7 1.274 -9.122 6.634 1.00 0.00 C ATOM 104 O LYS A 7 1.309 -7.915 6.707 1.00 0.00 O ATOM 105 CB LYS A 7 -0.687 -9.961 7.996 1.00 0.00 C ATOM 106 CG LYS A 7 -1.128 -8.579 8.474 1.00 0.00 C ATOM 107 CD LYS A 7 -0.763 -8.383 9.940 1.00 0.00 C ATOM 108 CE LYS A 7 -1.694 -9.218 10.836 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.815 -10.221 11.512 1.00 0.00 N ATOM 0 H LYS A 7 0.239 -11.951 6.698 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.741 -9.225 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.536 -10.644 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.049 -10.380 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.652 -7.808 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.204 -8.468 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.273 -8.677 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.842 -7.328 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.203 -8.588 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.467 -9.710 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.390 -10.821 12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.349 -10.814 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.093 -9.727 12.074 1.00 0.00 H new ATOM 123 N GLU A 8 2.398 -9.829 6.529 1.00 0.00 N ATOM 124 CA GLU A 8 3.727 -9.110 6.481 1.00 0.00 C ATOM 125 C GLU A 8 3.760 -8.330 5.176 1.00 0.00 C ATOM 126 O GLU A 8 4.094 -7.169 5.156 1.00 0.00 O ATOM 127 CB GLU A 8 4.829 -10.163 6.462 1.00 0.00 C ATOM 128 CG GLU A 8 5.238 -10.526 7.884 1.00 0.00 C ATOM 129 CD GLU A 8 6.187 -11.731 7.861 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.305 -11.578 7.388 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.786 -12.786 8.320 1.00 0.00 O ATOM 0 H GLU A 8 2.448 -10.846 6.476 1.00 0.00 H new ATOM 0 HA GLU A 8 3.864 -8.445 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.482 -11.053 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.692 -9.786 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.727 -9.676 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.354 -10.759 8.478 1.00 0.00 H new ATOM 138 N GLN A 9 3.336 -8.971 4.101 1.00 0.00 N ATOM 139 CA GLN A 9 3.239 -8.286 2.783 1.00 0.00 C ATOM 140 C GLN A 9 2.187 -7.173 2.916 1.00 0.00 C ATOM 141 O GLN A 9 2.370 -6.091 2.429 1.00 0.00 O ATOM 142 CB GLN A 9 2.754 -9.337 1.784 1.00 0.00 C ATOM 143 CG GLN A 9 3.791 -10.434 1.553 1.00 0.00 C ATOM 144 CD GLN A 9 3.138 -11.553 0.732 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.579 -12.477 1.287 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.174 -11.506 -0.572 1.00 0.00 N ATOM 0 H GLN A 9 3.052 -9.951 4.093 1.00 0.00 H new ATOM 0 HA GLN A 9 4.188 -7.857 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.830 -9.784 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.521 -8.854 0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.657 -10.033 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.150 -10.823 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.643 -10.731 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.733 -12.244 -1.121 1.00 0.00 H new ATOM 155 N GLN A 10 1.101 -7.451 3.624 1.00 0.00 N ATOM 156 CA GLN A 10 0.020 -6.429 3.868 1.00 0.00 C ATOM 157 C GLN A 10 0.597 -5.245 4.655 1.00 0.00 C ATOM 158 O GLN A 10 0.345 -4.104 4.320 1.00 0.00 O ATOM 159 CB GLN A 10 -1.034 -7.179 4.694 1.00 0.00 C ATOM 160 CG GLN A 10 -2.423 -6.960 4.094 1.00 0.00 C ATOM 161 CD GLN A 10 -3.011 -8.280 3.570 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.454 -8.353 2.448 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.068 -9.329 4.350 1.00 0.00 N ATOM 0 H GLN A 10 0.920 -8.361 4.048 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.400 -6.021 2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.802 -8.244 4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.016 -6.829 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.086 -6.536 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.362 -6.237 3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.697 -9.280 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.483 -10.196 4.009 1.00 0.00 H new ATOM 172 N ASN A 11 1.385 -5.517 5.676 1.00 0.00 N ATOM 173 CA ASN A 11 2.015 -4.427 6.487 1.00 0.00 C ATOM 174 C ASN A 11 3.119 -3.747 5.676 1.00 0.00 C ATOM 175 O ASN A 11 3.191 -2.542 5.630 1.00 0.00 O ATOM 176 CB ASN A 11 2.621 -5.115 7.718 1.00 0.00 C ATOM 177 CG ASN A 11 2.915 -4.066 8.795 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.009 -3.570 9.439 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.147 -3.697 9.016 1.00 0.00 N ATOM 0 H ASN A 11 1.619 -6.462 5.982 1.00 0.00 H new ATOM 0 HA ASN A 11 1.289 -3.664 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.932 -5.866 8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.538 -5.636 7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.349 -2.994 9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.908 -4.111 8.478 1.00 0.00 H new ATOM 186 N ALA A 12 3.969 -4.522 5.025 1.00 0.00 N ATOM 187 CA ALA A 12 5.064 -3.933 4.189 1.00 0.00 C ATOM 188 C ALA A 12 4.444 -3.124 3.054 1.00 0.00 C ATOM 189 O ALA A 12 4.858 -2.018 2.796 1.00 0.00 O ATOM 190 CB ALA A 12 5.856 -5.113 3.627 1.00 0.00 C ATOM 0 H ALA A 12 3.946 -5.542 5.041 1.00 0.00 H new ATOM 0 HA ALA A 12 5.709 -3.271 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.671 -4.741 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.265 -5.701 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.198 -5.739 3.025 1.00 0.00 H new ATOM 196 N PHE A 13 3.419 -3.664 2.418 1.00 0.00 N ATOM 197 CA PHE A 13 2.700 -2.929 1.329 1.00 0.00 C ATOM 198 C PHE A 13 2.174 -1.625 1.914 1.00 0.00 C ATOM 199 O PHE A 13 2.485 -0.550 1.440 1.00 0.00 O ATOM 200 CB PHE A 13 1.516 -3.842 0.939 1.00 0.00 C ATOM 201 CG PHE A 13 0.541 -3.098 0.073 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.987 -2.484 -1.090 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.813 -3.062 0.412 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.087 -1.829 -1.911 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.719 -2.416 -0.419 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.268 -1.800 -1.580 1.00 0.00 C ATOM 0 H PHE A 13 3.051 -4.595 2.615 1.00 0.00 H new ATOM 0 HA PHE A 13 3.332 -2.704 0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.885 -4.720 0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.014 -4.200 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.034 -2.518 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.156 -3.536 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.434 -1.340 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.768 -2.393 -0.164 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.969 -1.297 -2.229 1.00 0.00 H new ATOM 216 N TYR A 14 1.402 -1.754 2.972 1.00 0.00 N ATOM 217 CA TYR A 14 0.825 -0.581 3.678 1.00 0.00 C ATOM 218 C TYR A 14 1.925 0.440 4.009 1.00 0.00 C ATOM 219 O TYR A 14 1.832 1.590 3.638 1.00 0.00 O ATOM 220 CB TYR A 14 0.250 -1.202 4.948 1.00 0.00 C ATOM 221 CG TYR A 14 -0.394 -0.155 5.797 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.660 0.319 5.470 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.268 0.319 6.928 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.264 1.261 6.262 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.332 1.284 7.730 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.599 1.761 7.401 1.00 0.00 C ATOM 227 OH TYR A 14 -2.199 2.731 8.187 1.00 0.00 O ATOM 0 H TYR A 14 1.147 -2.654 3.379 1.00 0.00 H new ATOM 0 HA TYR A 14 0.082 -0.038 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.481 -1.967 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.043 -1.697 5.509 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.167 -0.055 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.246 -0.063 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.251 1.621 6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.181 1.661 8.602 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.605 2.962 8.931 1.00 0.00 H new ATOM 237 N GLU A 15 2.977 0.007 4.678 1.00 0.00 N ATOM 238 CA GLU A 15 4.099 0.933 5.028 1.00 0.00 C ATOM 239 C GLU A 15 4.739 1.509 3.754 1.00 0.00 C ATOM 240 O GLU A 15 4.955 2.698 3.687 1.00 0.00 O ATOM 241 CB GLU A 15 5.100 0.093 5.833 1.00 0.00 C ATOM 242 CG GLU A 15 4.509 -0.292 7.209 1.00 0.00 C ATOM 243 CD GLU A 15 4.187 0.969 8.028 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.096 1.746 8.280 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.033 1.138 8.386 1.00 0.00 O ATOM 0 H GLU A 15 3.101 -0.954 4.995 1.00 0.00 H new ATOM 0 HA GLU A 15 3.755 1.788 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.356 -0.809 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.024 0.654 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.604 -0.884 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.217 -0.916 7.754 1.00 0.00 H new ATOM 252 N ILE A 16 4.990 0.696 2.723 1.00 0.00 N ATOM 253 CA ILE A 16 5.565 1.246 1.427 1.00 0.00 C ATOM 254 C ILE A 16 4.686 2.420 0.946 1.00 0.00 C ATOM 255 O ILE A 16 5.184 3.470 0.580 1.00 0.00 O ATOM 256 CB ILE A 16 5.562 0.053 0.422 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.926 -0.646 0.505 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.316 0.512 -1.029 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.736 -2.158 0.538 1.00 0.00 C ATOM 0 H ILE A 16 4.823 -0.310 2.726 1.00 0.00 H new ATOM 0 HA ILE A 16 6.577 1.636 1.538 1.00 0.00 H new ATOM 0 HB ILE A 16 4.750 -0.622 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.540 -0.367 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.458 -0.318 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.323 -0.354 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.349 1.010 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.102 1.205 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.709 -2.646 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.140 -2.431 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.223 -2.480 -0.368 1.00 0.00 H new ATOM 271 N LEU A 17 3.383 2.234 0.979 1.00 0.00 N ATOM 272 CA LEU A 17 2.424 3.324 0.563 1.00 0.00 C ATOM 273 C LEU A 17 2.442 4.497 1.563 1.00 0.00 C ATOM 274 O LEU A 17 2.416 5.646 1.168 1.00 0.00 O ATOM 275 CB LEU A 17 1.034 2.685 0.576 1.00 0.00 C ATOM 276 CG LEU A 17 0.966 1.566 -0.452 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.218 0.387 0.110 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.192 2.001 -1.659 1.00 0.00 C ATOM 0 H LEU A 17 2.936 1.367 1.278 1.00 0.00 H new ATOM 0 HA LEU A 17 2.698 3.721 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.815 2.292 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.277 3.438 0.357 1.00 0.00 H new ATOM 0 HG LEU A 17 1.993 1.309 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.177 -0.407 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.730 0.022 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.795 0.691 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.156 1.186 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.822 2.269 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.679 2.865 -2.111 1.00 0.00 H new ATOM 290 N HIS A 18 2.471 4.209 2.856 1.00 0.00 N ATOM 291 CA HIS A 18 2.467 5.304 3.892 1.00 0.00 C ATOM 292 C HIS A 18 3.836 6.025 3.991 1.00 0.00 C ATOM 293 O HIS A 18 3.907 7.105 4.557 1.00 0.00 O ATOM 294 CB HIS A 18 2.153 4.631 5.244 1.00 0.00 C ATOM 295 CG HIS A 18 0.681 4.331 5.358 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.272 5.297 5.687 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.035 3.184 5.162 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.473 4.681 5.655 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.361 3.443 5.337 1.00 0.00 N ATOM 0 H HIS A 18 2.497 3.262 3.234 1.00 0.00 H new ATOM 0 HA HIS A 18 1.729 6.058 3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.726 3.709 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.461 5.283 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.385 2.222 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.412 5.170 5.870 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.125 2.775 5.234 1.00 0.00 H new ATOM 307 N LEU A 19 4.921 5.441 3.480 1.00 0.00 N ATOM 308 CA LEU A 19 6.279 6.101 3.587 1.00 0.00 C ATOM 309 C LEU A 19 6.252 7.516 2.968 1.00 0.00 C ATOM 310 O LEU A 19 5.731 7.703 1.879 1.00 0.00 O ATOM 311 CB LEU A 19 7.273 5.186 2.839 1.00 0.00 C ATOM 312 CG LEU A 19 7.733 4.032 3.755 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.688 3.109 2.991 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.448 4.579 4.996 1.00 0.00 C ATOM 0 H LEU A 19 4.919 4.542 2.998 1.00 0.00 H new ATOM 0 HA LEU A 19 6.574 6.224 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.802 4.782 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.136 5.766 2.512 1.00 0.00 H new ATOM 0 HG LEU A 19 6.852 3.473 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.009 2.297 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.177 2.696 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.559 3.677 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.764 3.750 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.321 5.155 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.768 5.222 5.554 1.00 0.00 H new ATOM 326 N PRO A 20 6.785 8.480 3.713 1.00 0.00 N ATOM 327 CA PRO A 20 6.784 9.906 3.266 1.00 0.00 C ATOM 328 C PRO A 20 7.727 10.197 2.080 1.00 0.00 C ATOM 329 O PRO A 20 7.525 11.179 1.385 1.00 0.00 O ATOM 330 CB PRO A 20 7.241 10.672 4.509 1.00 0.00 C ATOM 331 CG PRO A 20 8.028 9.685 5.307 1.00 0.00 C ATOM 332 CD PRO A 20 7.437 8.330 5.029 1.00 0.00 C ATOM 0 HA PRO A 20 5.800 10.192 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.849 11.535 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.389 11.048 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.081 9.712 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.976 9.919 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.206 7.558 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.720 8.043 5.798 1.00 0.00 H new ATOM 340 N ASN A 21 8.752 9.391 1.840 1.00 0.00 N ATOM 341 CA ASN A 21 9.677 9.692 0.696 1.00 0.00 C ATOM 342 C ASN A 21 9.661 8.589 -0.379 1.00 0.00 C ATOM 343 O ASN A 21 10.544 8.535 -1.221 1.00 0.00 O ATOM 344 CB ASN A 21 11.062 9.858 1.337 1.00 0.00 C ATOM 345 CG ASN A 21 11.095 11.171 2.124 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.156 12.237 1.543 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.048 11.146 3.430 1.00 0.00 N ATOM 0 H ASN A 21 8.979 8.555 2.379 1.00 0.00 H new ATOM 0 HA ASN A 21 9.370 10.591 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.274 9.018 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.834 9.861 0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.063 12.019 3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.997 10.254 3.921 1.00 0.00 H new ATOM 354 N LEU A 22 8.637 7.744 -0.399 1.00 0.00 N ATOM 355 CA LEU A 22 8.548 6.697 -1.467 1.00 0.00 C ATOM 356 C LEU A 22 7.648 7.216 -2.585 1.00 0.00 C ATOM 357 O LEU A 22 6.568 7.737 -2.337 1.00 0.00 O ATOM 358 CB LEU A 22 7.944 5.428 -0.827 1.00 0.00 C ATOM 359 CG LEU A 22 9.021 4.526 -0.174 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.607 3.065 -0.332 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.389 4.694 -0.838 1.00 0.00 C ATOM 0 H LEU A 22 7.872 7.742 0.275 1.00 0.00 H new ATOM 0 HA LEU A 22 9.527 6.466 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.211 5.718 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.410 4.859 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 22 9.100 4.815 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.359 2.422 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.647 2.904 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.519 2.824 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.113 4.043 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.317 4.428 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.713 5.731 -0.747 1.00 0.00 H new ATOM 373 N ASN A 23 8.084 7.073 -3.811 1.00 0.00 N ATOM 374 CA ASN A 23 7.265 7.555 -4.974 1.00 0.00 C ATOM 375 C ASN A 23 6.668 6.380 -5.737 1.00 0.00 C ATOM 376 O ASN A 23 6.799 5.242 -5.341 1.00 0.00 O ATOM 377 CB ASN A 23 8.199 8.391 -5.876 1.00 0.00 C ATOM 378 CG ASN A 23 9.335 7.548 -6.498 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.718 6.519 -5.978 1.00 0.00 O ATOM 380 ND2 ASN A 23 9.895 7.955 -7.605 1.00 0.00 N ATOM 0 H ASN A 23 8.974 6.642 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 23 6.428 8.163 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.614 8.850 -6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.632 9.203 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.647 7.410 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.580 8.818 -8.049 1.00 0.00 H new ATOM 387 N GLU A 24 6.012 6.667 -6.830 1.00 0.00 N ATOM 388 CA GLU A 24 5.377 5.582 -7.656 1.00 0.00 C ATOM 389 C GLU A 24 6.438 4.577 -8.145 1.00 0.00 C ATOM 390 O GLU A 24 6.158 3.406 -8.266 1.00 0.00 O ATOM 391 CB GLU A 24 4.710 6.305 -8.837 1.00 0.00 C ATOM 392 CG GLU A 24 3.722 5.364 -9.544 1.00 0.00 C ATOM 393 CD GLU A 24 2.305 5.956 -9.492 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.009 6.810 -10.313 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.539 5.546 -8.634 1.00 0.00 O ATOM 0 H GLU A 24 5.885 7.611 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 24 4.653 5.004 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.187 7.193 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.469 6.643 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.026 5.216 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.734 4.385 -9.066 1.00 0.00 H new ATOM 402 N GLU A 25 7.654 5.025 -8.408 1.00 0.00 N ATOM 403 CA GLU A 25 8.731 4.082 -8.872 1.00 0.00 C ATOM 404 C GLU A 25 9.165 3.144 -7.725 1.00 0.00 C ATOM 405 O GLU A 25 9.182 1.940 -7.886 1.00 0.00 O ATOM 406 CB GLU A 25 9.897 4.985 -9.299 1.00 0.00 C ATOM 407 CG GLU A 25 11.022 4.140 -9.917 1.00 0.00 C ATOM 408 CD GLU A 25 12.266 5.010 -10.130 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.886 5.379 -9.142 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.575 5.295 -11.274 1.00 0.00 O ATOM 0 H GLU A 25 7.943 5.999 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 25 8.389 3.443 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.549 5.724 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.276 5.534 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.261 3.301 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.694 3.720 -10.868 1.00 0.00 H new ATOM 417 N GLN A 26 9.519 3.698 -6.576 1.00 0.00 N ATOM 418 CA GLN A 26 9.967 2.850 -5.405 1.00 0.00 C ATOM 419 C GLN A 26 8.792 2.082 -4.787 1.00 0.00 C ATOM 420 O GLN A 26 8.881 0.887 -4.578 1.00 0.00 O ATOM 421 CB GLN A 26 10.563 3.835 -4.380 1.00 0.00 C ATOM 422 CG GLN A 26 11.822 4.514 -4.954 1.00 0.00 C ATOM 423 CD GLN A 26 13.044 3.586 -4.839 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.962 2.403 -5.112 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.188 4.078 -4.447 1.00 0.00 N ATOM 0 H GLN A 26 9.517 4.702 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 26 10.692 2.100 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.822 4.591 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.815 3.305 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.655 4.775 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.015 5.444 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.265 5.069 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.005 3.472 -4.371 1.00 0.00 H new ATOM 434 N ARG A 27 7.705 2.763 -4.496 1.00 0.00 N ATOM 435 CA ARG A 27 6.510 2.096 -3.872 1.00 0.00 C ATOM 436 C ARG A 27 5.923 0.988 -4.781 1.00 0.00 C ATOM 437 O ARG A 27 5.671 -0.105 -4.321 1.00 0.00 O ATOM 438 CB ARG A 27 5.485 3.227 -3.703 1.00 0.00 C ATOM 439 CG ARG A 27 4.114 2.688 -3.267 1.00 0.00 C ATOM 440 CD ARG A 27 3.000 3.473 -3.978 1.00 0.00 C ATOM 441 NE ARG A 27 3.323 4.921 -3.753 1.00 0.00 N ATOM 442 CZ ARG A 27 3.233 5.813 -4.725 1.00 0.00 C ATOM 443 NH1 ARG A 27 2.464 5.609 -5.772 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.910 6.932 -4.632 1.00 0.00 N ATOM 0 H ARG A 27 7.593 3.763 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 27 6.775 1.608 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.848 3.940 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.381 3.768 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.036 1.628 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.004 2.779 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.972 3.238 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.021 3.221 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 27 3.620 5.225 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.921 4.749 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.410 6.311 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.498 7.106 -3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.849 7.628 -5.375 1.00 0.00 H new ATOM 458 N ASN A 28 5.691 1.268 -6.060 1.00 0.00 N ATOM 459 CA ASN A 28 5.105 0.226 -6.978 1.00 0.00 C ATOM 460 C ASN A 28 6.075 -0.935 -7.156 1.00 0.00 C ATOM 461 O ASN A 28 5.671 -2.077 -7.101 1.00 0.00 O ATOM 462 CB ASN A 28 4.866 0.929 -8.309 1.00 0.00 C ATOM 463 CG ASN A 28 4.143 0.003 -9.300 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.494 -0.954 -8.918 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.234 0.255 -10.573 1.00 0.00 N ATOM 0 H ASN A 28 5.883 2.169 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 28 4.182 -0.189 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.272 1.829 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.819 1.247 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.763 -0.348 -11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.777 1.056 -10.897 1.00 0.00 H new ATOM 472 N ALA A 29 7.354 -0.650 -7.333 1.00 0.00 N ATOM 473 CA ALA A 29 8.368 -1.750 -7.469 1.00 0.00 C ATOM 474 C ALA A 29 8.316 -2.620 -6.217 1.00 0.00 C ATOM 475 O ALA A 29 8.401 -3.829 -6.290 1.00 0.00 O ATOM 476 CB ALA A 29 9.710 -1.053 -7.540 1.00 0.00 C ATOM 0 H ALA A 29 7.734 0.295 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 29 8.189 -2.378 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.501 -1.796 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.728 -0.385 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.868 -0.475 -6.630 1.00 0.00 H new ATOM 482 N PHE A 30 8.127 -1.990 -5.074 1.00 0.00 N ATOM 483 CA PHE A 30 8.006 -2.739 -3.793 1.00 0.00 C ATOM 484 C PHE A 30 6.755 -3.572 -3.816 1.00 0.00 C ATOM 485 O PHE A 30 6.790 -4.727 -3.497 1.00 0.00 O ATOM 486 CB PHE A 30 7.923 -1.677 -2.702 1.00 0.00 C ATOM 487 CG PHE A 30 9.318 -1.208 -2.357 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.422 -2.053 -2.558 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.506 0.060 -1.817 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.683 -1.639 -2.211 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.786 0.478 -1.477 1.00 0.00 C ATOM 492 CZ PHE A 30 11.874 -0.386 -1.672 1.00 0.00 C ATOM 0 H PHE A 30 8.052 -0.977 -4.983 1.00 0.00 H new ATOM 0 HA PHE A 30 8.847 -3.413 -3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.318 -0.837 -3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.434 -2.085 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.277 -3.033 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.662 0.716 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.527 -2.296 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.943 1.464 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.868 -0.066 -1.398 1.00 0.00 H new ATOM 502 N ILE A 31 5.669 -2.996 -4.239 1.00 0.00 N ATOM 503 CA ILE A 31 4.400 -3.761 -4.344 1.00 0.00 C ATOM 504 C ILE A 31 4.571 -4.878 -5.397 1.00 0.00 C ATOM 505 O ILE A 31 3.973 -5.920 -5.268 1.00 0.00 O ATOM 506 CB ILE A 31 3.347 -2.712 -4.706 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.229 -1.740 -3.529 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.013 -3.382 -4.935 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.514 -0.477 -3.958 1.00 0.00 C ATOM 0 H ILE A 31 5.606 -2.017 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 31 4.102 -4.276 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 31 3.637 -2.185 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.686 -2.213 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.221 -1.493 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.267 -2.630 -5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.101 -4.099 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.706 -3.901 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.438 0.204 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.074 0.003 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.514 -0.728 -4.313 1.00 0.00 H new ATOM 521 N GLN A 32 5.429 -4.689 -6.396 1.00 0.00 N ATOM 522 CA GLN A 32 5.680 -5.780 -7.404 1.00 0.00 C ATOM 523 C GLN A 32 6.537 -6.884 -6.746 1.00 0.00 C ATOM 524 O GLN A 32 6.176 -8.044 -6.772 1.00 0.00 O ATOM 525 CB GLN A 32 6.417 -5.103 -8.573 1.00 0.00 C ATOM 526 CG GLN A 32 5.428 -4.228 -9.358 1.00 0.00 C ATOM 527 CD GLN A 32 6.177 -3.382 -10.391 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.574 -2.270 -10.107 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.389 -3.859 -11.589 1.00 0.00 N ATOM 0 H GLN A 32 5.958 -3.831 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 32 4.765 -6.254 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.239 -4.494 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.853 -5.857 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.691 -4.857 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.882 -3.580 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.058 -4.792 -11.832 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.886 -3.298 -12.281 1.00 0.00 H new ATOM 538 N SER A 33 7.637 -6.512 -6.104 1.00 0.00 N ATOM 539 CA SER A 33 8.505 -7.515 -5.377 1.00 0.00 C ATOM 540 C SER A 33 7.746 -8.120 -4.173 1.00 0.00 C ATOM 541 O SER A 33 7.983 -9.246 -3.785 1.00 0.00 O ATOM 542 CB SER A 33 9.741 -6.731 -4.910 1.00 0.00 C ATOM 543 OG SER A 33 9.337 -5.553 -4.230 1.00 0.00 O ATOM 0 H SER A 33 7.971 -5.549 -6.054 1.00 0.00 H new ATOM 0 HA SER A 33 8.783 -8.350 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.348 -7.351 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.363 -6.472 -5.767 1.00 0.00 H new ATOM 0 HG SER A 33 8.367 -5.570 -4.094 1.00 0.00 H new ATOM 549 N LEU A 34 6.842 -7.359 -3.592 1.00 0.00 N ATOM 550 CA LEU A 34 6.041 -7.822 -2.414 1.00 0.00 C ATOM 551 C LEU A 34 4.858 -8.715 -2.863 1.00 0.00 C ATOM 552 O LEU A 34 4.637 -9.765 -2.289 1.00 0.00 O ATOM 553 CB LEU A 34 5.565 -6.501 -1.782 1.00 0.00 C ATOM 554 CG LEU A 34 4.874 -6.719 -0.441 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.902 -6.961 0.641 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.087 -5.468 -0.084 1.00 0.00 C ATOM 0 H LEU A 34 6.623 -6.411 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 34 6.605 -8.441 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.419 -5.838 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.879 -6.000 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 34 4.214 -7.583 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.397 -7.115 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.489 -7.845 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.562 -6.097 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.588 -5.613 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.766 -4.618 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.342 -5.275 -0.855 1.00 0.00 H new ATOM 568 N LYS A 35 4.109 -8.309 -3.886 1.00 0.00 N ATOM 569 CA LYS A 35 2.941 -9.142 -4.375 1.00 0.00 C ATOM 570 C LYS A 35 3.442 -10.468 -4.981 1.00 0.00 C ATOM 571 O LYS A 35 2.778 -11.485 -4.865 1.00 0.00 O ATOM 572 CB LYS A 35 2.176 -8.282 -5.422 1.00 0.00 C ATOM 573 CG LYS A 35 1.088 -7.464 -4.735 1.00 0.00 C ATOM 574 CD LYS A 35 -0.245 -7.654 -5.459 1.00 0.00 C ATOM 575 CE LYS A 35 -1.383 -7.641 -4.428 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.765 -9.073 -4.230 1.00 0.00 N ATOM 0 H LYS A 35 4.258 -7.440 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 35 2.275 -9.409 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.871 -7.618 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.732 -8.928 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.993 -7.772 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.362 -6.409 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.392 -6.860 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.244 -8.596 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.057 -7.189 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.230 -7.056 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.478 -9.141 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.159 -9.453 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.924 -9.623 -3.961 1.00 0.00 H new ATOM 590 N ASP A 36 4.610 -10.467 -5.604 1.00 0.00 N ATOM 591 CA ASP A 36 5.164 -11.733 -6.197 1.00 0.00 C ATOM 592 C ASP A 36 6.016 -12.519 -5.167 1.00 0.00 C ATOM 593 O ASP A 36 5.994 -13.738 -5.168 1.00 0.00 O ATOM 594 CB ASP A 36 6.017 -11.286 -7.399 1.00 0.00 C ATOM 595 CG ASP A 36 5.100 -10.849 -8.554 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.652 -11.715 -9.289 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.859 -9.660 -8.686 1.00 0.00 O ATOM 0 H ASP A 36 5.199 -9.643 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 36 4.366 -12.412 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.669 -10.462 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.662 -12.103 -7.723 1.00 0.00 H new ATOM 602 N ASP A 37 6.757 -11.841 -4.293 1.00 0.00 N ATOM 603 CA ASP A 37 7.598 -12.571 -3.273 1.00 0.00 C ATOM 604 C ASP A 37 7.126 -12.258 -1.832 1.00 0.00 C ATOM 605 O ASP A 37 7.371 -11.174 -1.323 1.00 0.00 O ATOM 606 CB ASP A 37 9.039 -12.079 -3.490 1.00 0.00 C ATOM 607 CG ASP A 37 10.022 -13.100 -2.897 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.136 -13.153 -1.680 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.640 -13.812 -3.668 1.00 0.00 O ATOM 0 H ASP A 37 6.811 -10.823 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 37 7.517 -13.651 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.233 -11.947 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.178 -11.107 -3.017 1.00 0.00 H new ATOM 614 N PRO A 38 6.458 -13.226 -1.221 1.00 0.00 N ATOM 615 CA PRO A 38 5.943 -13.063 0.175 1.00 0.00 C ATOM 616 C PRO A 38 7.065 -13.058 1.241 1.00 0.00 C ATOM 617 O PRO A 38 6.982 -12.330 2.214 1.00 0.00 O ATOM 618 CB PRO A 38 5.043 -14.285 0.359 1.00 0.00 C ATOM 619 CG PRO A 38 5.580 -15.306 -0.584 1.00 0.00 C ATOM 620 CD PRO A 38 6.104 -14.550 -1.766 1.00 0.00 C ATOM 0 HA PRO A 38 5.436 -12.107 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.071 -14.644 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.004 -14.047 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.371 -15.891 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.801 -16.006 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.971 -15.045 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.353 -14.469 -2.552 1.00 0.00 H new ATOM 628 N SER A 39 8.084 -13.884 1.084 1.00 0.00 N ATOM 629 CA SER A 39 9.197 -13.959 2.108 1.00 0.00 C ATOM 630 C SER A 39 10.010 -12.659 2.201 1.00 0.00 C ATOM 631 O SER A 39 10.433 -12.282 3.282 1.00 0.00 O ATOM 632 CB SER A 39 10.099 -15.117 1.660 1.00 0.00 C ATOM 633 OG SER A 39 9.347 -16.325 1.630 1.00 0.00 O ATOM 0 H SER A 39 8.195 -14.513 0.288 1.00 0.00 H new ATOM 0 HA SER A 39 8.778 -14.114 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.511 -14.909 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.943 -15.219 2.343 1.00 0.00 H new ATOM 0 HG SER A 39 8.769 -16.370 2.420 1.00 0.00 H new ATOM 639 N GLN A 40 10.233 -11.968 1.100 1.00 0.00 N ATOM 640 CA GLN A 40 11.024 -10.691 1.158 1.00 0.00 C ATOM 641 C GLN A 40 10.144 -9.497 1.579 1.00 0.00 C ATOM 642 O GLN A 40 10.616 -8.386 1.586 1.00 0.00 O ATOM 643 CB GLN A 40 11.562 -10.471 -0.269 1.00 0.00 C ATOM 644 CG GLN A 40 12.898 -9.718 -0.211 1.00 0.00 C ATOM 645 CD GLN A 40 14.037 -10.702 0.090 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.520 -11.376 -0.795 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.482 -10.822 1.313 1.00 0.00 N ATOM 0 H GLN A 40 9.904 -12.232 0.171 1.00 0.00 H new ATOM 0 HA GLN A 40 11.822 -10.763 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.696 -11.430 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.840 -9.904 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.083 -9.213 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.858 -8.947 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.079 -10.257 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.233 -11.481 1.520 1.00 0.00 H new ATOM 656 N SER A 41 8.874 -9.704 1.902 1.00 0.00 N ATOM 657 CA SER A 41 7.977 -8.552 2.275 1.00 0.00 C ATOM 658 C SER A 41 8.533 -7.705 3.428 1.00 0.00 C ATOM 659 O SER A 41 8.593 -6.495 3.298 1.00 0.00 O ATOM 660 CB SER A 41 6.627 -9.179 2.658 1.00 0.00 C ATOM 661 OG SER A 41 6.773 -10.000 3.813 1.00 0.00 O ATOM 0 H SER A 41 8.426 -10.620 1.922 1.00 0.00 H new ATOM 0 HA SER A 41 7.889 -7.861 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.896 -8.394 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.245 -9.773 1.827 1.00 0.00 H new ATOM 0 HG SER A 41 6.871 -10.936 3.539 1.00 0.00 H new ATOM 667 N ALA A 42 8.950 -8.292 4.538 1.00 0.00 N ATOM 668 CA ALA A 42 9.519 -7.438 5.645 1.00 0.00 C ATOM 669 C ALA A 42 10.743 -6.680 5.128 1.00 0.00 C ATOM 670 O ALA A 42 10.850 -5.484 5.311 1.00 0.00 O ATOM 671 CB ALA A 42 9.972 -8.381 6.726 1.00 0.00 C ATOM 0 H ALA A 42 8.923 -9.295 4.722 1.00 0.00 H new ATOM 0 HA ALA A 42 8.778 -6.725 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.393 -7.810 7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.121 -8.962 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.730 -9.055 6.327 1.00 0.00 H new ATOM 677 N ASN A 43 11.643 -7.377 4.446 1.00 0.00 N ATOM 678 CA ASN A 43 12.849 -6.714 3.852 1.00 0.00 C ATOM 679 C ASN A 43 12.390 -5.622 2.905 1.00 0.00 C ATOM 680 O ASN A 43 12.984 -4.584 2.849 1.00 0.00 O ATOM 681 CB ASN A 43 13.573 -7.775 3.031 1.00 0.00 C ATOM 682 CG ASN A 43 14.848 -8.233 3.751 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.912 -8.241 3.167 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.788 -8.622 4.999 1.00 0.00 N ATOM 0 H ASN A 43 11.585 -8.382 4.280 1.00 0.00 H new ATOM 0 HA ASN A 43 13.488 -6.291 4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.915 -8.628 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.826 -7.374 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.634 -8.931 5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.895 -8.616 5.493 1.00 0.00 H new ATOM 691 N LEU A 44 11.316 -5.871 2.173 1.00 0.00 N ATOM 692 CA LEU A 44 10.770 -4.855 1.227 1.00 0.00 C ATOM 693 C LEU A 44 10.327 -3.646 1.976 1.00 0.00 C ATOM 694 O LEU A 44 10.625 -2.539 1.574 1.00 0.00 O ATOM 695 CB LEU A 44 9.608 -5.505 0.518 1.00 0.00 C ATOM 696 CG LEU A 44 10.176 -6.384 -0.563 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.031 -7.126 -1.226 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.933 -5.490 -1.550 1.00 0.00 C ATOM 0 H LEU A 44 10.797 -6.748 2.199 1.00 0.00 H new ATOM 0 HA LEU A 44 11.525 -4.532 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.012 -6.092 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.948 -4.750 0.091 1.00 0.00 H new ATOM 0 HG LEU A 44 10.872 -7.124 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.422 -7.770 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.513 -7.734 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.333 -6.408 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.356 -6.103 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.247 -4.760 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.736 -4.969 -1.028 1.00 0.00 H new ATOM 710 N LEU A 45 9.676 -3.835 3.094 1.00 0.00 N ATOM 711 CA LEU A 45 9.323 -2.643 3.880 1.00 0.00 C ATOM 712 C LEU A 45 10.629 -2.047 4.395 1.00 0.00 C ATOM 713 O LEU A 45 10.849 -0.898 4.222 1.00 0.00 O ATOM 714 CB LEU A 45 8.416 -3.091 5.008 1.00 0.00 C ATOM 715 CG LEU A 45 8.306 -1.987 6.067 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.991 -0.638 5.398 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.197 -2.361 7.046 1.00 0.00 C ATOM 0 H LEU A 45 9.387 -4.735 3.478 1.00 0.00 H new ATOM 0 HA LEU A 45 8.796 -1.885 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.427 -3.330 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.808 -4.002 5.460 1.00 0.00 H new ATOM 0 HG LEU A 45 9.252 -1.890 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.915 0.137 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.788 -0.383 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.046 -0.711 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.106 -1.585 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.253 -2.455 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.438 -3.311 7.524 1.00 0.00 H new ATOM 729 N ALA A 46 11.510 -2.840 4.976 1.00 0.00 N ATOM 730 CA ALA A 46 12.831 -2.287 5.463 1.00 0.00 C ATOM 731 C ALA A 46 13.563 -1.523 4.361 1.00 0.00 C ATOM 732 O ALA A 46 14.058 -0.452 4.605 1.00 0.00 O ATOM 733 CB ALA A 46 13.681 -3.497 5.807 1.00 0.00 C ATOM 0 H ALA A 46 11.375 -3.839 5.134 1.00 0.00 H new ATOM 0 HA ALA A 46 12.661 -1.609 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.655 -3.167 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.186 -4.081 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.813 -4.113 4.918 1.00 0.00 H new ATOM 739 N GLU A 47 13.628 -2.057 3.153 1.00 0.00 N ATOM 740 CA GLU A 47 14.315 -1.319 2.049 1.00 0.00 C ATOM 741 C GLU A 47 13.464 -0.100 1.689 1.00 0.00 C ATOM 742 O GLU A 47 13.999 0.959 1.441 1.00 0.00 O ATOM 743 CB GLU A 47 14.555 -2.291 0.879 1.00 0.00 C ATOM 744 CG GLU A 47 13.291 -2.927 0.368 1.00 0.00 C ATOM 745 CD GLU A 47 13.676 -4.135 -0.503 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.871 -3.952 -1.691 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.787 -5.221 0.043 1.00 0.00 O ATOM 0 H GLU A 47 13.237 -2.963 2.894 1.00 0.00 H new ATOM 0 HA GLU A 47 15.296 -0.945 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.040 -1.755 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.243 -3.073 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.662 -3.244 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.713 -2.209 -0.213 1.00 0.00 H new ATOM 754 N ALA A 48 12.140 -0.210 1.741 1.00 0.00 N ATOM 755 CA ALA A 48 11.289 0.989 1.514 1.00 0.00 C ATOM 756 C ALA A 48 11.513 1.997 2.670 1.00 0.00 C ATOM 757 O ALA A 48 11.611 3.185 2.443 1.00 0.00 O ATOM 758 CB ALA A 48 9.875 0.438 1.542 1.00 0.00 C ATOM 0 H ALA A 48 11.633 -1.075 1.930 1.00 0.00 H new ATOM 0 HA ALA A 48 11.507 1.515 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.165 1.250 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.759 -0.306 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.684 -0.026 2.510 1.00 0.00 H new ATOM 764 N LYS A 49 11.660 1.499 3.895 1.00 0.00 N ATOM 765 CA LYS A 49 11.953 2.352 5.094 1.00 0.00 C ATOM 766 C LYS A 49 13.339 2.965 4.885 1.00 0.00 C ATOM 767 O LYS A 49 13.570 4.138 5.092 1.00 0.00 O ATOM 768 CB LYS A 49 11.989 1.348 6.270 1.00 0.00 C ATOM 769 CG LYS A 49 10.590 0.804 6.594 1.00 0.00 C ATOM 770 CD LYS A 49 9.645 1.932 6.961 1.00 0.00 C ATOM 771 CE LYS A 49 10.096 2.556 8.280 1.00 0.00 C ATOM 772 NZ LYS A 49 10.059 4.035 8.072 1.00 0.00 N ATOM 0 H LYS A 49 11.584 0.504 4.107 1.00 0.00 H new ATOM 0 HA LYS A 49 11.234 3.153 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.653 0.520 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.403 1.835 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.198 0.261 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.653 0.094 7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.635 2.685 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.627 1.554 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.437 2.261 9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.100 2.225 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.454 4.513 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.622 4.282 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.075 4.341 7.931 1.00 0.00 H new ATOM 786 N LYS A 50 14.232 2.131 4.406 1.00 0.00 N ATOM 787 CA LYS A 50 15.626 2.534 4.071 1.00 0.00 C ATOM 788 C LYS A 50 15.577 3.628 2.991 1.00 0.00 C ATOM 789 O LYS A 50 16.347 4.565 3.019 1.00 0.00 O ATOM 790 CB LYS A 50 16.241 1.209 3.562 1.00 0.00 C ATOM 791 CG LYS A 50 17.429 1.413 2.614 1.00 0.00 C ATOM 792 CD LYS A 50 17.488 0.218 1.643 1.00 0.00 C ATOM 793 CE LYS A 50 17.965 -1.039 2.392 1.00 0.00 C ATOM 794 NZ LYS A 50 18.185 -2.072 1.335 1.00 0.00 N ATOM 0 H LYS A 50 14.036 1.146 4.228 1.00 0.00 H new ATOM 0 HA LYS A 50 16.206 2.957 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.566 0.616 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.471 0.633 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.317 2.346 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.357 1.488 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.504 0.042 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.166 0.440 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.883 -0.842 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.221 -1.371 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.511 -2.956 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.293 -2.246 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.904 -1.734 0.663 1.00 0.00 H new ATOM 808 N LEU A 51 14.651 3.506 2.055 1.00 0.00 N ATOM 809 CA LEU A 51 14.507 4.527 0.970 1.00 0.00 C ATOM 810 C LEU A 51 13.831 5.790 1.501 1.00 0.00 C ATOM 811 O LEU A 51 14.213 6.884 1.150 1.00 0.00 O ATOM 812 CB LEU A 51 13.613 3.866 -0.087 1.00 0.00 C ATOM 813 CG LEU A 51 14.436 3.237 -1.221 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.788 2.725 -0.718 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.656 2.061 -1.786 1.00 0.00 C ATOM 0 H LEU A 51 13.987 2.733 2.003 1.00 0.00 H new ATOM 0 HA LEU A 51 15.476 4.826 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.999 3.099 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.931 4.609 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 51 14.617 3.999 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.343 2.287 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.358 3.554 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.628 1.969 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.225 1.601 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.484 1.327 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.698 2.411 -2.171 1.00 0.00 H new ATOM 827 N ASN A 52 12.823 5.641 2.336 1.00 0.00 N ATOM 828 CA ASN A 52 12.108 6.836 2.886 1.00 0.00 C ATOM 829 C ASN A 52 13.079 7.707 3.714 1.00 0.00 C ATOM 830 O ASN A 52 13.026 8.921 3.647 1.00 0.00 O ATOM 831 CB ASN A 52 10.912 6.274 3.708 1.00 0.00 C ATOM 832 CG ASN A 52 11.102 6.449 5.226 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.401 5.505 5.925 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.926 7.619 5.770 1.00 0.00 N ATOM 0 H ASN A 52 12.467 4.741 2.658 1.00 0.00 H new ATOM 0 HA ASN A 52 11.731 7.501 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.996 6.778 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.786 5.215 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.040 7.736 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.674 8.419 5.189 1.00 0.00 H new ATOM 841 N ASP A 53 13.964 7.091 4.476 1.00 0.00 N ATOM 842 CA ASP A 53 14.950 7.878 5.298 1.00 0.00 C ATOM 843 C ASP A 53 16.153 8.323 4.442 1.00 0.00 C ATOM 844 O ASP A 53 16.626 9.439 4.574 1.00 0.00 O ATOM 845 CB ASP A 53 15.409 6.939 6.424 1.00 0.00 C ATOM 846 CG ASP A 53 14.220 6.530 7.320 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.440 7.396 7.692 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.119 5.354 7.630 1.00 0.00 O ATOM 0 H ASP A 53 14.045 6.078 4.563 1.00 0.00 H new ATOM 0 HA ASP A 53 14.495 8.786 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.870 6.049 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.171 7.433 7.027 1.00 0.00 H new ATOM 853 N ALA A 54 16.645 7.464 3.559 1.00 0.00 N ATOM 854 CA ALA A 54 17.813 7.840 2.680 1.00 0.00 C ATOM 855 C ALA A 54 17.390 8.913 1.664 1.00 0.00 C ATOM 856 O ALA A 54 18.104 9.874 1.440 1.00 0.00 O ATOM 857 CB ALA A 54 18.226 6.551 1.961 1.00 0.00 C ATOM 0 H ALA A 54 16.286 6.521 3.412 1.00 0.00 H new ATOM 0 HA ALA A 54 18.638 8.255 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.072 6.755 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.511 5.799 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.389 6.180 1.369 1.00 0.00 H new ATOM 863 N GLN A 55 16.213 8.766 1.081 1.00 0.00 N ATOM 864 CA GLN A 55 15.699 9.787 0.103 1.00 0.00 C ATOM 865 C GLN A 55 14.969 10.938 0.848 1.00 0.00 C ATOM 866 O GLN A 55 14.402 11.815 0.219 1.00 0.00 O ATOM 867 CB GLN A 55 14.709 9.044 -0.807 1.00 0.00 C ATOM 868 CG GLN A 55 15.404 7.880 -1.537 1.00 0.00 C ATOM 869 CD GLN A 55 14.394 7.170 -2.442 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.616 7.031 -3.628 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.282 6.719 -1.929 1.00 0.00 N ATOM 0 H GLN A 55 15.586 7.978 1.244 1.00 0.00 H new ATOM 0 HA GLN A 55 16.516 10.232 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.878 8.662 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.288 9.737 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.239 8.255 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.817 7.177 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.096 6.836 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.599 6.250 -2.524 1.00 0.00 H new ATOM 880 N ALA A 56 14.973 10.934 2.182 1.00 0.00 N ATOM 881 CA ALA A 56 14.275 12.014 2.961 1.00 0.00 C ATOM 882 C ALA A 56 15.014 13.351 2.862 1.00 0.00 C ATOM 883 O ALA A 56 16.216 13.388 2.649 1.00 0.00 O ATOM 884 CB ALA A 56 14.267 11.557 4.421 1.00 0.00 C ATOM 0 H ALA A 56 15.432 10.225 2.753 1.00 0.00 H new ATOM 0 HA ALA A 56 13.271 12.167 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.769 12.308 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.734 10.610 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.292 11.427 4.767 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.169 -5.491 -8.567 1.00 0.00 N ATOM 1015 CA ASN B 6 0.799 -4.610 -7.809 1.00 0.00 C ATOM 1016 C ASN B 6 0.878 -3.213 -8.441 1.00 0.00 C ATOM 1017 O ASN B 6 0.986 -2.217 -7.743 1.00 0.00 O ATOM 1018 CB ASN B 6 2.180 -5.313 -7.799 1.00 0.00 C ATOM 1019 CG ASN B 6 2.569 -5.883 -9.177 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.498 -5.204 -10.180 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.993 -7.113 -9.262 1.00 0.00 N ATOM 0 HA ASN B 6 0.457 -4.467 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.942 -4.603 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.166 -6.121 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.262 -7.498 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.055 -7.690 -8.423 1.00 0.00 H new ATOM 1028 N LYS B 7 0.768 -3.137 -9.744 1.00 0.00 N ATOM 1029 CA LYS B 7 0.776 -1.807 -10.444 1.00 0.00 C ATOM 1030 C LYS B 7 -0.417 -0.985 -9.977 1.00 0.00 C ATOM 1031 O LYS B 7 -0.315 0.216 -9.783 1.00 0.00 O ATOM 1032 CB LYS B 7 0.656 -2.120 -11.941 1.00 0.00 C ATOM 1033 CG LYS B 7 1.929 -2.815 -12.435 1.00 0.00 C ATOM 1034 CD LYS B 7 1.819 -3.088 -13.938 1.00 0.00 C ATOM 1035 CE LYS B 7 3.022 -3.924 -14.402 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.630 -5.353 -14.192 1.00 0.00 N ATOM 0 H LYS B 7 0.672 -3.944 -10.361 1.00 0.00 H new ATOM 0 HA LYS B 7 1.679 -1.235 -10.232 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.209 -2.759 -12.119 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.494 -1.199 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.798 -2.190 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.077 -3.751 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.891 -3.617 -14.154 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.785 -2.147 -14.487 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.251 -3.731 -15.450 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.915 -3.675 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.409 -5.974 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.426 -5.513 -13.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.782 -5.567 -14.755 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.532 -1.637 -9.763 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.734 -0.921 -9.267 1.00 0.00 C ATOM 1052 C GLU B 8 -2.563 -0.534 -7.811 1.00 0.00 C ATOM 1053 O GLU B 8 -3.025 0.499 -7.415 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.928 -1.858 -9.444 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.891 -1.225 -10.442 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.579 0.003 -9.811 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.622 -0.173 -9.200 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.051 1.096 -9.950 1.00 0.00 O ATOM 0 H GLU B 8 -1.656 -2.638 -9.913 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.889 0.001 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.596 -2.832 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.426 -2.023 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.351 -0.927 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.641 -1.954 -10.748 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.881 -1.327 -7.018 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.680 -0.929 -5.582 1.00 0.00 C ATOM 1067 C LEU B 9 -0.781 0.307 -5.505 1.00 0.00 C ATOM 1068 O LEU B 9 -0.869 1.070 -4.567 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.024 -2.066 -4.798 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.658 -3.434 -5.077 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.722 -4.531 -4.534 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -3.020 -3.496 -4.363 1.00 0.00 C ATOM 0 H LEU B 9 -1.461 -2.215 -7.292 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.655 -0.707 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.036 -2.106 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.093 -1.851 -3.732 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.804 -3.584 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.160 -5.511 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.245 -4.463 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.588 -4.397 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.486 -4.463 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.875 -3.365 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.665 -2.703 -4.741 1.00 0.00 H new ATOM 1084 N SER B 10 0.063 0.533 -6.497 1.00 0.00 N ATOM 1085 CA SER B 10 0.914 1.756 -6.472 1.00 0.00 C ATOM 1086 C SER B 10 -0.014 2.985 -6.582 1.00 0.00 C ATOM 1087 O SER B 10 0.100 3.922 -5.819 1.00 0.00 O ATOM 1088 CB SER B 10 1.830 1.633 -7.686 1.00 0.00 C ATOM 1089 OG SER B 10 2.422 2.893 -7.965 1.00 0.00 O ATOM 0 H SER B 10 0.191 -0.073 -7.307 1.00 0.00 H new ATOM 0 HA SER B 10 1.503 1.865 -5.561 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.605 0.890 -7.496 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.262 1.288 -8.550 1.00 0.00 H new ATOM 0 HG SER B 10 2.996 3.158 -7.216 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.950 2.946 -7.516 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.919 4.082 -7.704 1.00 0.00 C ATOM 1097 C VAL B 11 -3.099 3.939 -6.719 1.00 0.00 C ATOM 1098 O VAL B 11 -3.327 4.805 -5.894 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.402 3.970 -9.169 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.208 5.218 -9.545 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.197 3.834 -10.117 1.00 0.00 C ATOM 0 H VAL B 11 -1.082 2.166 -8.160 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.462 5.052 -7.510 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.032 3.086 -9.264 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.546 5.135 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.072 5.305 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.580 6.102 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.550 3.756 -11.145 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.556 4.710 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.630 2.939 -9.859 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.827 2.834 -6.797 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.988 2.577 -5.872 1.00 0.00 C ATOM 1113 C ALA B 12 -4.538 2.597 -4.419 1.00 0.00 C ATOM 1114 O ALA B 12 -5.121 3.270 -3.601 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.525 1.178 -6.239 1.00 0.00 C ATOM 0 H ALA B 12 -3.659 2.091 -7.475 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.752 3.346 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.373 0.934 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.844 1.173 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.738 0.437 -6.097 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.497 1.877 -4.112 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.973 1.820 -2.721 1.00 0.00 C ATOM 1123 C GLY B 13 -2.516 3.188 -2.254 1.00 0.00 C ATOM 1124 O GLY B 13 -2.942 3.644 -1.214 1.00 0.00 O ATOM 0 H GLY B 13 -2.976 1.313 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.747 1.444 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.140 1.118 -2.671 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.630 3.825 -2.988 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.117 5.162 -2.540 1.00 0.00 C ATOM 1130 C ARG B 14 -2.272 6.190 -2.366 1.00 0.00 C ATOM 1131 O ARG B 14 -2.250 7.002 -1.458 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.109 5.631 -3.585 1.00 0.00 C ATOM 1133 CG ARG B 14 0.609 6.875 -3.060 1.00 0.00 C ATOM 1134 CD ARG B 14 1.594 6.500 -1.943 1.00 0.00 C ATOM 1135 NE ARG B 14 1.276 7.411 -0.810 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.023 8.463 -0.578 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.023 8.383 0.267 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.768 9.594 -1.194 1.00 0.00 N ATOM 0 H ARG B 14 -1.244 3.482 -3.868 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.642 5.076 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.612 4.841 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.616 5.857 -4.523 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.144 7.364 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.121 7.591 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.478 5.456 -1.652 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.626 6.627 -2.271 1.00 0.00 H new ATOM 0 HE ARG B 14 0.473 7.216 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.219 7.503 0.743 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.605 9.201 0.448 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.990 9.653 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.348 10.414 -1.015 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.284 6.154 -3.198 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.428 7.114 -3.013 1.00 0.00 C ATOM 1154 C GLU B 15 -5.259 6.688 -1.777 1.00 0.00 C ATOM 1155 O GLU B 15 -5.626 7.511 -0.969 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.241 7.037 -4.300 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.472 7.710 -5.447 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.293 7.633 -6.739 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.286 6.586 -7.365 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.915 8.625 -7.080 1.00 0.00 O ATOM 0 H GLU B 15 -3.372 5.514 -3.987 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.099 8.137 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.445 5.996 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.205 7.526 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.267 8.751 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.509 7.220 -5.588 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.505 5.393 -1.618 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.264 4.848 -0.419 1.00 0.00 C ATOM 1169 C ILE B 16 -5.483 5.108 0.890 1.00 0.00 C ATOM 1170 O ILE B 16 -6.053 5.356 1.938 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.332 3.323 -0.654 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.280 3.010 -1.828 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.847 2.602 0.604 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.084 1.567 -2.302 1.00 0.00 C ATOM 0 H ILE B 16 -5.206 4.677 -2.281 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.243 5.318 -0.323 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.326 2.972 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.314 3.161 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.090 3.699 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.887 1.529 0.417 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.174 2.800 1.438 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.845 2.966 0.849 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.761 1.361 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.054 1.429 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.298 0.882 -1.481 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.182 4.996 0.813 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.293 5.174 2.004 1.00 0.00 C ATOM 1188 C VAL B 17 -3.198 6.647 2.444 1.00 0.00 C ATOM 1189 O VAL B 17 -2.937 6.917 3.602 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.940 4.597 1.537 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.155 5.557 0.692 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.106 4.154 2.703 1.00 0.00 C ATOM 0 H VAL B 17 -3.684 4.782 -0.051 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.670 4.667 2.892 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.183 3.734 0.917 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.214 5.094 0.394 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.731 5.813 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.949 6.462 1.264 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.159 3.752 2.342 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.913 5.005 3.357 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.639 3.383 3.259 1.00 0.00 H new ATOM 1202 N THR B 18 -3.382 7.600 1.539 1.00 0.00 N ATOM 1203 CA THR B 18 -3.267 9.036 1.958 1.00 0.00 C ATOM 1204 C THR B 18 -4.254 9.971 1.209 1.00 0.00 C ATOM 1205 O THR B 18 -3.918 11.107 0.914 1.00 0.00 O ATOM 1206 CB THR B 18 -1.779 9.400 1.709 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.524 10.753 2.085 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.405 9.185 0.239 1.00 0.00 C ATOM 0 H THR B 18 -3.601 7.444 0.555 1.00 0.00 H new ATOM 0 HA THR B 18 -3.546 9.172 3.003 1.00 0.00 H new ATOM 0 HB THR B 18 -1.164 8.742 2.324 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.187 11.340 1.665 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.358 9.447 0.088 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.560 8.139 -0.027 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.031 9.816 -0.392 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.487 9.534 0.936 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.480 10.465 0.260 1.00 0.00 C ATOM 1218 C LEU B 19 -6.769 11.691 1.184 1.00 0.00 C ATOM 1219 O LEU B 19 -6.339 11.708 2.329 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.737 9.637 -0.052 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.175 8.798 1.140 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.629 9.083 1.408 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.992 7.319 0.807 1.00 0.00 C ATOM 0 H LEU B 19 -5.837 8.599 1.147 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.089 10.875 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.548 10.304 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.540 8.984 -0.902 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.579 9.042 2.019 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.965 8.491 2.260 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.757 10.143 1.629 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.219 8.822 0.530 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.304 6.713 1.658 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.598 7.064 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.943 7.123 0.588 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.405 12.717 0.636 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.639 14.002 1.389 1.00 0.00 C ATOM 1237 C PRO B 20 -8.414 13.904 2.726 1.00 0.00 C ATOM 1238 O PRO B 20 -8.154 14.708 3.606 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.389 14.872 0.376 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.004 13.901 -0.569 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.995 12.798 -0.714 1.00 0.00 C ATOM 0 HA PRO B 20 -6.683 14.400 1.730 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.147 15.485 0.864 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.712 15.553 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.950 13.521 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.217 14.368 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.462 11.858 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.245 13.032 -1.470 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.367 13.000 2.902 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.130 12.991 4.218 1.00 0.00 C ATOM 1251 C ASN B 21 -10.157 11.624 4.941 1.00 0.00 C ATOM 1252 O ASN B 21 -11.035 11.400 5.762 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.564 13.394 3.854 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.636 14.830 3.307 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.845 15.684 3.660 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.578 15.134 2.457 1.00 0.00 N ATOM 0 H ASN B 21 -9.645 12.292 2.222 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.635 13.667 4.915 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.957 12.702 3.109 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.200 13.309 4.735 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.648 16.084 2.092 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.244 14.422 2.158 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.233 10.717 4.684 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.280 9.400 5.414 1.00 0.00 C ATOM 1265 C LEU B 22 -8.396 9.423 6.661 1.00 0.00 C ATOM 1266 O LEU B 22 -7.431 10.166 6.746 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.749 8.334 4.468 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.450 6.993 4.737 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.536 6.746 3.688 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.421 5.868 4.671 1.00 0.00 C ATOM 0 H LEU B 22 -8.468 10.827 4.019 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.305 9.199 5.725 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.914 8.639 3.435 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.673 8.223 4.600 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.910 7.022 5.725 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.026 5.793 3.889 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.272 7.549 3.731 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.085 6.720 2.696 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.912 4.914 4.861 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -7.964 5.850 3.681 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.650 6.035 5.423 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.708 8.566 7.599 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.874 8.462 8.855 1.00 0.00 C ATOM 1284 C ASN B 23 -7.093 7.126 8.888 1.00 0.00 C ATOM 1285 O ASN B 23 -7.434 6.181 8.195 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.820 8.686 10.062 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.593 7.433 10.523 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.916 7.330 11.688 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.922 6.489 9.695 1.00 0.00 N ATOM 0 H ASN B 23 -9.504 7.929 7.558 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.099 9.228 8.891 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.233 9.062 10.900 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.539 9.463 9.802 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.443 5.678 10.027 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.659 6.558 8.712 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.998 7.096 9.631 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.072 5.891 9.672 1.00 0.00 C ATOM 1298 C ASP B 24 -5.721 4.486 9.876 1.00 0.00 C ATOM 1299 O ASP B 24 -5.271 3.561 9.223 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.979 6.191 10.732 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.552 6.326 12.148 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.071 7.385 12.463 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.442 5.370 12.901 1.00 0.00 O ATOM 0 H ASP B 24 -5.698 7.870 10.224 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.663 5.781 8.668 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.237 5.393 10.719 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.461 7.112 10.464 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.714 4.312 10.749 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.302 2.943 10.936 1.00 0.00 C ATOM 1310 C PRO B 25 -8.103 2.472 9.699 1.00 0.00 C ATOM 1311 O PRO B 25 -8.033 1.304 9.340 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.216 3.105 12.150 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.564 4.557 12.177 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.380 5.299 11.616 1.00 0.00 C ATOM 0 HA PRO B 25 -6.532 2.184 11.074 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.109 2.486 12.058 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.712 2.802 13.068 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.458 4.751 11.584 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.779 4.884 13.194 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.692 6.178 11.052 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.716 5.646 12.408 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.853 3.352 9.040 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.638 2.908 7.836 1.00 0.00 C ATOM 1324 C GLN B 26 -8.692 2.580 6.676 1.00 0.00 C ATOM 1325 O GLN B 26 -8.827 1.530 6.082 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.643 4.026 7.505 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.792 3.953 8.532 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.965 4.849 8.114 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.908 4.379 7.512 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.965 6.118 8.420 1.00 0.00 N ATOM 0 H GLN B 26 -8.949 4.338 9.285 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.191 1.989 8.031 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.156 5.000 7.546 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.028 3.905 6.493 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.134 2.922 8.627 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.428 4.260 9.512 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.176 6.521 8.926 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.754 6.707 8.153 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.702 3.424 6.387 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.712 3.080 5.291 1.00 0.00 C ATOM 1341 C LYS B 27 -5.990 1.786 5.631 1.00 0.00 C ATOM 1342 O LYS B 27 -5.661 1.022 4.756 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.666 4.202 5.153 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.189 4.777 6.492 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.452 6.093 6.232 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.456 7.209 5.894 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.884 8.457 6.483 1.00 0.00 N ATOM 0 H LYS B 27 -7.542 4.317 6.854 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.259 2.966 4.355 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.805 3.817 4.607 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.089 5.008 4.553 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.038 4.945 7.154 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.530 4.068 6.993 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.870 6.372 7.111 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.747 5.967 5.410 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.584 7.307 4.816 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.439 6.992 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.630 9.177 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.499 8.251 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.124 8.814 5.869 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.748 1.541 6.897 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.059 0.279 7.311 1.00 0.00 C ATOM 1363 C LYS B 28 -5.864 -0.930 6.817 1.00 0.00 C ATOM 1364 O LYS B 28 -5.367 -1.728 6.047 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.032 0.306 8.851 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.595 0.342 9.324 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.054 -1.079 9.420 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.523 -1.057 9.336 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.059 -2.295 10.037 1.00 0.00 N ATOM 0 H LYS B 28 -6.000 2.164 7.664 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.054 0.203 6.895 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.571 1.178 9.221 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.537 -0.573 9.251 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.988 0.927 8.633 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.533 0.832 10.296 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.370 -1.536 10.358 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.463 -1.689 8.615 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.188 -1.046 8.299 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.118 -0.163 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.157 -2.104 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.771 -2.585 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.926 -3.058 9.343 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.117 -1.043 7.228 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.979 -2.183 6.750 1.00 0.00 C ATOM 1385 C ALA B 29 -8.187 -2.082 5.224 1.00 0.00 C ATOM 1386 O ALA B 29 -8.300 -3.086 4.544 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.315 -2.025 7.486 1.00 0.00 C ATOM 0 H ALA B 29 -7.575 -0.397 7.871 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.524 -3.153 6.951 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.993 -2.824 7.185 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.146 -2.078 8.562 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.757 -1.061 7.235 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.228 -0.869 4.696 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.415 -0.655 3.219 1.00 0.00 C ATOM 1395 C PHE B 30 -7.215 -1.171 2.436 1.00 0.00 C ATOM 1396 O PHE B 30 -7.364 -1.938 1.507 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.522 0.864 3.039 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.841 1.208 2.433 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.000 1.134 1.052 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.904 1.594 3.251 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.229 1.452 0.484 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.133 1.913 2.683 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.297 1.843 1.301 1.00 0.00 C ATOM 0 H PHE B 30 -8.138 -0.009 5.238 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.294 -1.186 2.853 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.413 1.362 4.002 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.714 1.222 2.401 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.174 0.831 0.425 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.773 1.645 4.322 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.360 1.397 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.958 2.214 3.312 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.251 2.091 0.859 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.029 -0.752 2.806 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.806 -1.222 2.099 1.00 0.00 C ATOM 1415 C ILE B 31 -4.671 -2.736 2.312 1.00 0.00 C ATOM 1416 O ILE B 31 -4.348 -3.462 1.396 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.620 -0.481 2.757 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.527 0.980 2.240 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.298 -1.234 2.477 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.078 1.376 2.088 1.00 0.00 C ATOM 0 H ILE B 31 -5.859 -0.101 3.572 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.841 -1.025 1.028 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.789 -0.452 3.834 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.041 1.070 1.283 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.027 1.654 2.935 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.470 -0.702 2.946 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.360 -2.242 2.886 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.131 -1.289 1.401 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.017 2.402 1.725 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.578 1.303 3.054 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.592 0.710 1.376 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.912 -3.203 3.528 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.799 -4.666 3.816 1.00 0.00 C ATOM 1434 C PHE B 32 -5.834 -5.447 2.972 1.00 0.00 C ATOM 1435 O PHE B 32 -5.531 -6.528 2.504 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.985 -4.822 5.349 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.631 -4.612 6.048 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.932 -3.375 5.929 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.039 -5.660 6.812 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.699 -3.221 6.538 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.806 -5.462 7.409 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.144 -4.260 7.269 1.00 0.00 C ATOM 0 H PHE B 32 -5.181 -2.627 4.326 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.832 -5.083 3.537 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.712 -4.097 5.714 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.377 -5.812 5.581 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.363 -2.561 5.365 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.550 -6.605 6.924 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.166 -2.286 6.443 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.358 -6.255 7.989 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.179 -4.126 7.736 1.00 0.00 H new ATOM 1452 N SER B 33 -7.014 -4.887 2.692 1.00 0.00 N ATOM 1453 CA SER B 33 -7.985 -5.606 1.785 1.00 0.00 C ATOM 1454 C SER B 33 -7.542 -5.398 0.311 1.00 0.00 C ATOM 1455 O SER B 33 -7.686 -6.283 -0.511 1.00 0.00 O ATOM 1456 CB SER B 33 -9.379 -5.019 2.064 1.00 0.00 C ATOM 1457 OG SER B 33 -9.399 -3.632 1.769 1.00 0.00 O ATOM 0 H SER B 33 -7.333 -3.985 3.047 1.00 0.00 H new ATOM 0 HA SER B 33 -8.008 -6.681 1.966 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.126 -5.536 1.462 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.646 -5.179 3.109 1.00 0.00 H new ATOM 0 HG SER B 33 -8.480 -3.304 1.678 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.954 -4.243 0.005 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.420 -3.952 -1.382 1.00 0.00 C ATOM 1465 C LEU B 34 -5.246 -4.907 -1.685 1.00 0.00 C ATOM 1466 O LEU B 34 -5.119 -5.405 -2.789 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.982 -2.462 -1.309 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.043 -2.047 -2.445 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.844 -1.724 -3.722 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.272 -0.796 -2.007 1.00 0.00 C ATOM 0 H LEU B 34 -6.822 -3.482 0.671 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.142 -4.106 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.869 -1.829 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.487 -2.283 -0.355 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.358 -2.867 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.158 -1.431 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.405 -2.606 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.536 -0.906 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.598 -0.486 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.975 0.009 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.694 -1.020 -1.110 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.412 -5.178 -0.698 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.260 -6.116 -0.885 1.00 0.00 C ATOM 1484 C TRP B 35 -3.748 -7.571 -1.034 1.00 0.00 C ATOM 1485 O TRP B 35 -3.296 -8.294 -1.901 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.418 -6.006 0.385 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.202 -6.845 0.188 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.952 -8.026 0.791 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.092 -6.600 -0.703 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.242 -8.516 0.324 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.818 -7.664 -0.591 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.207 -5.558 -1.586 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.991 -7.690 -1.329 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.386 -5.581 -2.328 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.273 -6.639 -2.199 1.00 0.00 C ATOM 0 H TRP B 35 -4.487 -4.781 0.239 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.700 -5.859 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.142 -4.969 0.574 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.984 -6.348 1.252 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.587 -8.506 1.521 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.652 -9.402 0.619 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.479 -4.731 -1.693 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.679 -8.516 -1.231 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.610 -4.771 -3.007 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.186 -6.648 -2.775 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.648 -7.996 -0.164 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.165 -9.399 -0.203 1.00 0.00 C ATOM 1508 C ASP B 36 -6.028 -9.615 -1.442 1.00 0.00 C ATOM 1509 O ASP B 36 -5.977 -10.667 -2.057 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.005 -9.570 1.073 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.909 -11.016 1.566 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.708 -11.826 1.123 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.038 -11.288 2.377 1.00 0.00 O ATOM 0 H ASP B 36 -5.046 -7.418 0.576 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.353 -10.125 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.652 -8.888 1.846 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.045 -9.313 0.872 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.829 -8.629 -1.802 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.705 -8.779 -2.988 1.00 0.00 C ATOM 1520 C ASP B 37 -7.622 -7.537 -3.901 1.00 0.00 C ATOM 1521 O ASP B 37 -8.567 -6.763 -3.977 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.123 -8.970 -2.418 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.221 -10.322 -1.698 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.402 -11.322 -2.375 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.112 -10.334 -0.482 1.00 0.00 O ATOM 0 H ASP B 37 -6.904 -7.734 -1.318 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.408 -9.622 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.357 -8.162 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.857 -8.923 -3.223 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.503 -7.401 -4.612 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.337 -6.269 -5.572 1.00 0.00 C ATOM 1532 C PRO B 38 -7.302 -6.393 -6.771 1.00 0.00 C ATOM 1533 O PRO B 38 -7.376 -5.490 -7.579 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.897 -6.377 -6.028 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.558 -7.818 -5.826 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.299 -8.248 -4.592 1.00 0.00 C ATOM 0 HA PRO B 38 -6.564 -5.307 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.786 -6.084 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.244 -5.728 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.857 -8.414 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.483 -7.953 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.551 -9.308 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.708 -8.087 -3.690 1.00 0.00 H new ATOM 1544 N SER B 39 -8.075 -7.473 -6.878 1.00 0.00 N ATOM 1545 CA SER B 39 -9.078 -7.578 -7.999 1.00 0.00 C ATOM 1546 C SER B 39 -10.047 -6.389 -7.859 1.00 0.00 C ATOM 1547 O SER B 39 -10.465 -5.792 -8.834 1.00 0.00 O ATOM 1548 CB SER B 39 -9.817 -8.903 -7.777 1.00 0.00 C ATOM 1549 OG SER B 39 -10.082 -9.509 -9.035 1.00 0.00 O ATOM 0 H SER B 39 -8.050 -8.271 -6.243 1.00 0.00 H new ATOM 0 HA SER B 39 -8.626 -7.555 -8.991 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.215 -9.569 -7.159 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.750 -8.727 -7.241 1.00 0.00 H new ATOM 0 HG SER B 39 -10.553 -10.357 -8.897 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.346 -6.024 -6.618 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.227 -4.846 -6.330 1.00 0.00 C ATOM 1557 C GLN B 40 -10.356 -3.592 -6.077 1.00 0.00 C ATOM 1558 O GLN B 40 -10.815 -2.662 -5.454 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.997 -5.168 -5.029 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.393 -6.646 -4.940 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.720 -6.790 -4.184 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.628 -7.442 -4.656 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.872 -6.207 -3.024 1.00 0.00 N ATOM 0 H GLN B 40 -10.006 -6.507 -5.786 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.899 -4.657 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.380 -4.907 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.893 -4.550 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.488 -7.066 -5.941 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.612 -7.210 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.110 -5.658 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.752 -6.301 -2.518 1.00 0.00 H new ATOM 1572 N SER B 41 -9.099 -3.565 -6.517 1.00 0.00 N ATOM 1573 CA SER B 41 -8.211 -2.374 -6.252 1.00 0.00 C ATOM 1574 C SER B 41 -8.813 -1.080 -6.815 1.00 0.00 C ATOM 1575 O SER B 41 -8.780 -0.056 -6.159 1.00 0.00 O ATOM 1576 CB SER B 41 -6.875 -2.675 -6.916 1.00 0.00 C ATOM 1577 OG SER B 41 -7.049 -2.887 -8.314 1.00 0.00 O ATOM 0 H SER B 41 -8.658 -4.318 -7.046 1.00 0.00 H new ATOM 0 HA SER B 41 -8.098 -2.217 -5.179 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.185 -1.847 -6.751 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.427 -3.559 -6.461 1.00 0.00 H new ATOM 0 HG SER B 41 -7.211 -3.839 -8.483 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.399 -1.129 -8.004 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.052 0.098 -8.576 1.00 0.00 C ATOM 1585 C ALA B 42 -11.242 0.463 -7.676 1.00 0.00 C ATOM 1586 O ALA B 42 -11.436 1.616 -7.329 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.522 -0.293 -9.983 1.00 0.00 C ATOM 0 H ALA B 42 -9.450 -1.960 -8.593 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.385 0.958 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.008 0.561 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.664 -0.598 -10.582 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.229 -1.120 -9.914 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.005 -0.540 -7.257 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.150 -0.310 -6.331 1.00 0.00 C ATOM 1595 C ASN B 43 -12.633 0.189 -4.967 1.00 0.00 C ATOM 1596 O ASN B 43 -13.259 1.022 -4.354 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.845 -1.671 -6.181 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.164 -1.497 -5.421 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.166 -1.122 -5.997 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.204 -1.746 -4.140 1.00 0.00 N ATOM 0 H ASN B 43 -11.869 -1.514 -7.529 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.837 0.446 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.035 -2.103 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.196 -2.365 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.076 -1.626 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.364 -2.061 -3.655 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.488 -0.304 -4.506 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.910 0.150 -3.189 1.00 0.00 C ATOM 1609 C LEU B 44 -10.474 1.604 -3.293 1.00 0.00 C ATOM 1610 O LEU B 44 -10.769 2.414 -2.446 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.701 -0.756 -2.948 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.137 -1.982 -2.152 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.435 -3.233 -2.696 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.769 -1.751 -0.683 1.00 0.00 C ATOM 0 H LEU B 44 -10.931 -1.005 -4.993 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.631 0.085 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.267 -1.062 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.928 -0.212 -2.405 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.213 -2.134 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.750 -4.105 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.700 -3.372 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.355 -3.112 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.071 -2.616 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.692 -1.610 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.282 -0.863 -0.315 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.796 1.916 -4.361 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.331 3.313 -4.633 1.00 0.00 C ATOM 1628 C LEU B 45 -10.545 4.262 -4.593 1.00 0.00 C ATOM 1629 O LEU B 45 -10.514 5.304 -3.960 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.727 3.233 -6.054 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.031 4.535 -6.479 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -9.025 5.432 -7.218 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.463 5.268 -5.263 1.00 0.00 C ATOM 0 H LEU B 45 -9.535 1.242 -5.081 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.610 3.689 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.010 2.413 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.517 2.999 -6.767 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.204 4.288 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.529 6.355 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -9.394 4.914 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -9.861 5.667 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -6.975 6.187 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.272 5.511 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.737 4.630 -4.760 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.626 3.863 -5.233 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.885 4.675 -5.227 1.00 0.00 C ATOM 1647 C ALA B 46 -13.513 4.642 -3.824 1.00 0.00 C ATOM 1648 O ALA B 46 -13.906 5.662 -3.296 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.799 3.970 -6.223 1.00 0.00 C ATOM 0 H ALA B 46 -11.686 2.995 -5.766 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.714 5.720 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.750 4.500 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.327 3.959 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.975 2.946 -5.894 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.587 3.462 -3.227 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.166 3.303 -1.852 1.00 0.00 C ATOM 1657 C GLU B 47 -13.378 4.152 -0.841 1.00 0.00 C ATOM 1658 O GLU B 47 -13.941 4.687 0.089 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.025 1.803 -1.519 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.073 1.401 -0.468 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.483 1.385 -1.088 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.653 0.801 -2.151 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.371 1.973 -0.492 1.00 0.00 O ATOM 0 H GLU B 47 -13.263 2.592 -3.649 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.204 3.632 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.155 1.207 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.023 1.597 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.835 0.416 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.045 2.100 0.368 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.080 4.281 -1.046 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.216 5.101 -0.133 1.00 0.00 C ATOM 1672 C ALA B 48 -11.594 6.584 -0.275 1.00 0.00 C ATOM 1673 O ALA B 48 -11.846 7.254 0.710 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.770 4.848 -0.605 1.00 0.00 C ATOM 0 H ALA B 48 -11.580 3.844 -1.820 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.337 4.836 0.917 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.079 5.416 0.018 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.541 3.785 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.666 5.163 -1.643 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.670 7.077 -1.500 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.070 8.513 -1.738 1.00 0.00 C ATOM 1682 C LYS B 49 -13.519 8.733 -1.261 1.00 0.00 C ATOM 1683 O LYS B 49 -13.808 9.697 -0.577 1.00 0.00 O ATOM 1684 CB LYS B 49 -11.957 8.728 -3.254 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.493 8.582 -3.695 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.385 8.805 -5.205 1.00 0.00 C ATOM 1687 CE LYS B 49 -8.996 8.365 -5.687 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.920 8.786 -7.118 1.00 0.00 N ATOM 0 H LYS B 49 -11.471 6.544 -2.347 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.439 9.214 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.578 8.003 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.329 9.718 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.870 9.303 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.122 7.590 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.158 8.238 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.548 9.857 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.209 8.834 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.869 7.287 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.949 8.656 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.572 8.208 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.186 9.788 -7.200 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.415 7.817 -1.596 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.852 7.925 -1.150 1.00 0.00 C ATOM 1704 C LYS B 50 -15.942 7.863 0.386 1.00 0.00 C ATOM 1705 O LYS B 50 -16.742 8.557 0.987 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.574 6.736 -1.794 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.813 7.033 -3.284 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.012 5.721 -4.060 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.318 5.032 -3.625 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.899 3.775 -2.934 1.00 0.00 N ATOM 0 H LYS B 50 -14.208 6.995 -2.163 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.303 8.871 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.978 5.830 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.524 6.556 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.690 7.669 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.965 7.582 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.040 5.925 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.167 5.056 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.895 5.672 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.951 4.814 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.742 3.258 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.358 3.180 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.304 4.011 -2.114 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.102 7.063 1.019 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.101 6.982 2.520 1.00 0.00 C ATOM 1726 C LEU B 51 -14.656 8.338 3.097 1.00 0.00 C ATOM 1727 O LEU B 51 -15.262 8.841 4.026 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.089 5.866 2.859 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.096 5.552 4.366 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.231 4.316 4.617 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.538 6.736 5.170 1.00 0.00 C ATOM 0 H LEU B 51 -14.418 6.464 0.557 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.082 6.762 2.940 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.333 4.966 2.295 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.089 6.172 2.553 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.122 5.369 4.686 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.228 4.084 5.682 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -13.636 3.470 4.062 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.211 4.512 4.286 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.552 6.493 6.233 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.513 6.938 4.857 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.152 7.619 4.992 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.622 8.940 2.527 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.144 10.285 3.007 1.00 0.00 C ATOM 1745 C ASN B 52 -14.299 11.291 2.931 1.00 0.00 C ATOM 1746 O ASN B 52 -14.419 12.171 3.764 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.956 10.640 2.068 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.231 11.725 0.983 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -12.971 12.664 1.169 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.593 11.661 -0.148 1.00 0.00 N ATOM 0 H ASN B 52 -13.090 8.552 1.748 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.816 10.295 4.046 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.122 10.976 2.684 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.633 9.728 1.565 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.723 12.390 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.962 10.882 -0.334 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.143 11.149 1.921 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.302 12.073 1.748 1.00 0.00 C ATOM 1759 C ASP B 53 -17.289 11.924 2.924 1.00 0.00 C ATOM 1760 O ASP B 53 -17.996 12.859 3.261 1.00 0.00 O ATOM 1761 CB ASP B 53 -16.986 11.666 0.432 1.00 0.00 C ATOM 1762 CG ASP B 53 -16.032 11.823 -0.773 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -15.152 12.671 -0.733 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -16.203 11.085 -1.723 1.00 0.00 O ATOM 0 H ASP B 53 -15.068 10.423 1.209 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.975 13.113 1.724 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.321 10.631 0.500 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.874 12.279 0.277 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.336 10.754 3.553 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.266 10.549 4.711 1.00 0.00 C ATOM 1771 C ALA B 54 -17.752 11.313 5.945 1.00 0.00 C ATOM 1772 O ALA B 54 -18.531 11.867 6.703 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.259 9.035 4.948 1.00 0.00 C ATOM 0 H ALA B 54 -16.769 9.942 3.308 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.272 10.922 4.518 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.917 8.794 5.783 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.610 8.525 4.051 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.245 8.708 5.179 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.446 11.364 6.127 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.842 12.106 7.283 1.00 0.00 C ATOM 1781 C GLN B 55 -15.751 13.612 6.969 1.00 0.00 C ATOM 1782 O GLN B 55 -15.909 14.440 7.848 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.445 11.488 7.445 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.567 10.107 8.103 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.206 9.413 8.072 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.689 9.011 9.093 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.598 9.266 6.930 1.00 0.00 N ATOM 0 H GLN B 55 -15.767 10.915 5.512 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.435 12.022 8.194 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.961 11.397 6.472 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.817 12.138 8.054 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.912 10.210 9.132 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.308 9.505 7.577 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.034 9.605 6.073 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.685 8.812 6.893 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.487 13.961 5.721 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.365 15.401 5.318 1.00 0.00 C ATOM 1798 C ALA B 56 -15.890 15.608 3.881 1.00 0.00 C ATOM 1799 O ALA B 56 -15.918 14.676 3.109 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.867 15.672 5.386 1.00 0.00 C ATOM 0 H ALA B 56 -15.350 13.296 4.960 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.944 16.069 5.955 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.672 16.707 5.107 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.511 15.497 6.401 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.345 15.006 4.699 1.00 0.00 H new