USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 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 23 ASN : amide:sc= -2.39 K(o=-6.2,f=-18!) USER MOD Set 1.2: B 26 GLN : amide:sc= -2.41! C(o=-6.2!,f=-8.7!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.42 X(o=-6.2,f=-6.7) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.74 K(o=-2.8,f=-7.3!) USER MOD Set 2.2: B 10 SER OG : rot -90:sc= -0.0397 USER MOD Set 3.1: B 6 ASN : amide:sc= -4.99! C(o=-5!,f=-11!) USER MOD Set 3.2: B 7 LYS NZ :NH3+ 151:sc= -0.037 (180deg=-0.469) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.8) USER MOD Set 4.2: A 43 ASN : amide:sc= 0 X(o=-0.012,f=-0.012) USER MOD Set 5.1: A 23 ASN : amide:sc= -0.315 K(o=0.14,f=-6.6!) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.588 K(o=0.14,f=-10!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.137 X(o=0.14,f=0.26) USER MOD Set 6.1: A 21 ASN : amide:sc= -0.758 K(o=-3.1,f=-6.6) USER MOD Set 6.2: A 52 ASN : amide:sc= -2.36! C(o=-3.1!,f=-6.6!) USER MOD Set 7.1: A 14 TYR OH : rot 180:sc= -0.237 USER MOD Set 7.2: A 18 HIS : no HD1:sc= -23! C(o=-23!,f=-21!) USER MOD Single : A 6 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0206) USER MOD Single : A 9 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3!) USER MOD Single : A 10 GLN : amide:sc= -2.02 K(o=-2,f=-5.6!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.772 K(o=-0.77,f=-2) USER MOD Single : A 33 SER OG : rot 9:sc= -0.0726 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0.526 (180deg=0.299) USER MOD Single : A 39 SER OG : rot 43:sc= 0.0056 USER MOD Single : A 41 SER OG : rot -97:sc= 0.671 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 : B 18 THR OG1 : rot -46:sc= 0.53 USER MOD Single : B 21 ASN : amide:sc= -3.03! C(o=-3!,f=-3.6!) USER MOD Single : B 27 LYS NZ :NH3+ -161:sc= 0.23 (180deg=0.0821) USER MOD Single : B 28 LYS NZ :NH3+ -115:sc= 0.356 (180deg=-0.0887) USER MOD Single : B 33 SER OG : rot -31:sc= -0.0587 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.778 K(o=-0.78,f=-0.26) USER MOD Single : B 41 SER OG : rot 180:sc= -1.02 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 162:sc= 0.00755 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 126:sc=0.000586 (180deg=-0.0434) USER MOD Single : B 52 ASN : amide:sc= -5.37! C(o=-5.4!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.006 -14.265 6.616 1.00 0.00 N ATOM 68 CA PHE A 5 4.298 -13.397 5.427 1.00 0.00 C ATOM 69 C PHE A 5 3.022 -12.805 4.814 1.00 0.00 C ATOM 70 O PHE A 5 3.081 -11.751 4.216 1.00 0.00 O ATOM 71 CB PHE A 5 5.040 -14.281 4.411 1.00 0.00 C ATOM 72 CG PHE A 5 6.427 -14.594 4.938 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.319 -13.552 5.231 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.813 -15.923 5.144 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.593 -13.841 5.732 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.088 -16.211 5.641 1.00 0.00 C ATOM 77 CZ PHE A 5 8.977 -15.170 5.935 1.00 0.00 C ATOM 0 HA PHE A 5 4.904 -12.542 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.486 -15.204 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.110 -13.771 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.022 -12.526 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.127 -16.726 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.279 -13.039 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.387 -17.237 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.961 -15.394 6.319 1.00 0.00 H new ATOM 87 N ASN A 6 1.875 -13.459 4.955 1.00 0.00 N ATOM 88 CA ASN A 6 0.601 -12.900 4.370 1.00 0.00 C ATOM 89 C ASN A 6 0.381 -11.460 4.866 1.00 0.00 C ATOM 90 O ASN A 6 0.302 -10.546 4.063 1.00 0.00 O ATOM 91 CB ASN A 6 -0.530 -13.822 4.855 1.00 0.00 C ATOM 92 CG ASN A 6 -0.406 -15.201 4.193 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.033 -16.161 4.835 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.706 -15.341 2.928 1.00 0.00 N ATOM 0 H ASN A 6 1.771 -14.347 5.446 1.00 0.00 H new ATOM 0 HA ASN A 6 0.637 -12.864 3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.486 -13.925 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.498 -13.381 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.626 -16.255 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.020 -14.536 2.386 1.00 0.00 H new ATOM 101 N LYS A 7 0.337 -11.239 6.174 1.00 0.00 N ATOM 102 CA LYS A 7 0.176 -9.838 6.688 1.00 0.00 C ATOM 103 C LYS A 7 1.499 -9.068 6.613 1.00 0.00 C ATOM 104 O LYS A 7 1.471 -7.875 6.452 1.00 0.00 O ATOM 105 CB LYS A 7 -0.341 -9.909 8.118 1.00 0.00 C ATOM 106 CG LYS A 7 -0.219 -8.527 8.770 1.00 0.00 C ATOM 107 CD LYS A 7 -0.733 -8.611 10.187 1.00 0.00 C ATOM 108 CE LYS A 7 -0.344 -7.345 10.966 1.00 0.00 C ATOM 109 NZ LYS A 7 1.054 -7.576 11.447 1.00 0.00 N ATOM 0 H LYS A 7 0.405 -11.961 6.891 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.538 -9.297 6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.381 -10.237 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.229 -10.644 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.820 -8.197 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.790 -7.791 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.817 -8.726 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.321 -9.492 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.398 -6.462 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.022 -7.176 11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.069 -7.568 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.392 -8.497 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.674 -6.823 11.086 1.00 0.00 H new ATOM 123 N GLU A 8 2.651 -9.715 6.707 1.00 0.00 N ATOM 124 CA GLU A 8 3.942 -8.941 6.586 1.00 0.00 C ATOM 125 C GLU A 8 3.941 -8.252 5.227 1.00 0.00 C ATOM 126 O GLU A 8 4.309 -7.107 5.120 1.00 0.00 O ATOM 127 CB GLU A 8 5.107 -9.927 6.668 1.00 0.00 C ATOM 128 CG GLU A 8 5.326 -10.390 8.113 1.00 0.00 C ATOM 129 CD GLU A 8 5.587 -9.184 9.033 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.564 -8.484 8.809 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.806 -8.990 9.951 1.00 0.00 O ATOM 0 H GLU A 8 2.752 -10.719 6.858 1.00 0.00 H new ATOM 0 HA GLU A 8 4.040 -8.201 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.906 -10.789 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.015 -9.457 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.451 -10.938 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.171 -11.077 8.157 1.00 0.00 H new ATOM 138 N GLN A 9 3.445 -8.935 4.205 1.00 0.00 N ATOM 139 CA GLN A 9 3.312 -8.306 2.864 1.00 0.00 C ATOM 140 C GLN A 9 2.263 -7.184 2.970 1.00 0.00 C ATOM 141 O GLN A 9 2.436 -6.128 2.431 1.00 0.00 O ATOM 142 CB GLN A 9 2.807 -9.387 1.908 1.00 0.00 C ATOM 143 CG GLN A 9 3.872 -10.442 1.627 1.00 0.00 C ATOM 144 CD GLN A 9 3.222 -11.584 0.840 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.711 -12.521 1.422 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.208 -11.545 -0.466 1.00 0.00 N ATOM 0 H GLN A 9 3.130 -9.904 4.257 1.00 0.00 H new ATOM 0 HA GLN A 9 4.257 -7.895 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.926 -9.866 2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.497 -8.926 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.695 -10.009 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.292 -10.815 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.636 -10.760 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.769 -12.299 -0.994 1.00 0.00 H new ATOM 155 N GLN A 10 1.192 -7.431 3.707 1.00 0.00 N ATOM 156 CA GLN A 10 0.107 -6.405 3.932 1.00 0.00 C ATOM 157 C GLN A 10 0.684 -5.181 4.658 1.00 0.00 C ATOM 158 O GLN A 10 0.457 -4.055 4.258 1.00 0.00 O ATOM 159 CB GLN A 10 -0.903 -7.124 4.837 1.00 0.00 C ATOM 160 CG GLN A 10 -2.307 -7.077 4.233 1.00 0.00 C ATOM 161 CD GLN A 10 -2.676 -8.438 3.613 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.199 -9.470 4.040 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.539 -8.495 2.642 1.00 0.00 N ATOM 0 H GLN A 10 1.022 -8.323 4.172 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.337 -6.048 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.598 -8.161 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.911 -6.658 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.032 -6.814 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.355 -6.299 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.948 -7.637 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.806 -9.398 2.250 1.00 0.00 H new ATOM 172 N ASN A 11 1.442 -5.412 5.715 1.00 0.00 N ATOM 173 CA ASN A 11 2.068 -4.297 6.488 1.00 0.00 C ATOM 174 C ASN A 11 3.177 -3.656 5.657 1.00 0.00 C ATOM 175 O ASN A 11 3.258 -2.456 5.571 1.00 0.00 O ATOM 176 CB ASN A 11 2.658 -4.938 7.752 1.00 0.00 C ATOM 177 CG ASN A 11 2.968 -3.847 8.782 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.079 -3.366 9.459 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.197 -3.423 8.923 1.00 0.00 N ATOM 0 H ASN A 11 1.652 -6.344 6.074 1.00 0.00 H new ATOM 0 HA ASN A 11 1.345 -3.520 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.954 -5.658 8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.566 -5.487 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.409 -2.690 9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.943 -3.825 8.356 1.00 0.00 H new ATOM 186 N ALA A 12 4.018 -4.461 5.029 1.00 0.00 N ATOM 187 CA ALA A 12 5.112 -3.905 4.172 1.00 0.00 C ATOM 188 C ALA A 12 4.483 -3.145 3.007 1.00 0.00 C ATOM 189 O ALA A 12 4.893 -2.049 2.705 1.00 0.00 O ATOM 190 CB ALA A 12 5.911 -5.101 3.660 1.00 0.00 C ATOM 0 H ALA A 12 3.987 -5.479 5.078 1.00 0.00 H new ATOM 0 HA ALA A 12 5.758 -3.220 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.726 -4.750 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.321 -5.653 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.258 -5.755 3.082 1.00 0.00 H new ATOM 196 N PHE A 13 3.456 -3.713 2.395 1.00 0.00 N ATOM 197 CA PHE A 13 2.732 -3.020 1.281 1.00 0.00 C ATOM 198 C PHE A 13 2.234 -1.682 1.815 1.00 0.00 C ATOM 199 O PHE A 13 2.575 -0.638 1.298 1.00 0.00 O ATOM 200 CB PHE A 13 1.534 -3.941 0.925 1.00 0.00 C ATOM 201 CG PHE A 13 0.567 -3.236 0.012 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.025 -2.641 -1.158 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.792 -3.215 0.322 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.126 -2.022 -2.018 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.693 -2.588 -0.533 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.234 -1.995 -1.701 1.00 0.00 C ATOM 0 H PHE A 13 3.091 -4.637 2.628 1.00 0.00 H new ATOM 0 HA PHE A 13 3.355 -2.840 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.898 -4.849 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.022 -4.247 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.078 -2.660 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.146 -3.686 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.478 -1.563 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.745 -2.563 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.932 -1.510 -2.368 1.00 0.00 H new ATOM 216 N TYR A 14 1.460 -1.736 2.880 1.00 0.00 N ATOM 217 CA TYR A 14 0.923 -0.504 3.517 1.00 0.00 C ATOM 218 C TYR A 14 2.052 0.485 3.852 1.00 0.00 C ATOM 219 O TYR A 14 2.001 1.621 3.457 1.00 0.00 O ATOM 220 CB TYR A 14 0.280 -0.992 4.800 1.00 0.00 C ATOM 221 CG TYR A 14 -0.385 0.164 5.482 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.661 0.561 5.091 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.265 0.818 6.532 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.285 1.588 5.734 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.367 1.878 7.182 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.650 2.266 6.787 1.00 0.00 C ATOM 227 OH TYR A 14 -2.300 3.300 7.439 1.00 0.00 O ATOM 0 H TYR A 14 1.178 -2.604 3.336 1.00 0.00 H new ATOM 0 HA TYR A 14 0.229 0.020 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.450 -1.772 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.032 -1.433 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.157 0.054 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.252 0.504 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.278 1.883 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.133 2.396 7.987 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.720 3.660 8.142 1.00 0.00 H new ATOM 237 N GLU A 15 3.069 0.046 4.571 1.00 0.00 N ATOM 238 CA GLU A 15 4.202 0.961 4.934 1.00 0.00 C ATOM 239 C GLU A 15 4.874 1.493 3.662 1.00 0.00 C ATOM 240 O GLU A 15 5.139 2.669 3.578 1.00 0.00 O ATOM 241 CB GLU A 15 5.178 0.132 5.776 1.00 0.00 C ATOM 242 CG GLU A 15 4.562 -0.205 7.151 1.00 0.00 C ATOM 243 CD GLU A 15 4.246 1.081 7.931 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.167 1.843 8.190 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.089 1.272 8.268 1.00 0.00 O ATOM 0 H GLU A 15 3.159 -0.908 4.920 1.00 0.00 H new ATOM 0 HA GLU A 15 3.857 1.828 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.430 -0.788 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.107 0.685 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.651 -0.787 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.253 -0.824 7.724 1.00 0.00 H new ATOM 252 N ILE A 16 5.091 0.655 2.653 1.00 0.00 N ATOM 253 CA ILE A 16 5.684 1.159 1.355 1.00 0.00 C ATOM 254 C ILE A 16 4.812 2.325 0.838 1.00 0.00 C ATOM 255 O ILE A 16 5.317 3.373 0.472 1.00 0.00 O ATOM 256 CB ILE A 16 5.680 -0.069 0.402 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.020 -0.799 0.568 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.493 0.340 -1.068 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.805 -2.305 0.526 1.00 0.00 C ATOM 0 H ILE A 16 4.885 -0.344 2.674 1.00 0.00 H new ATOM 0 HA ILE A 16 6.698 1.548 1.450 1.00 0.00 H new ATOM 0 HB ILE A 16 4.842 -0.715 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.706 -0.500 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.482 -0.516 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.497 -0.550 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.543 0.861 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.307 1.000 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.762 -2.813 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.135 -2.600 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.363 -2.583 -0.431 1.00 0.00 H new ATOM 271 N LEU A 17 3.506 2.145 0.859 1.00 0.00 N ATOM 272 CA LEU A 17 2.561 3.244 0.425 1.00 0.00 C ATOM 273 C LEU A 17 2.550 4.405 1.454 1.00 0.00 C ATOM 274 O LEU A 17 2.478 5.557 1.090 1.00 0.00 O ATOM 275 CB LEU A 17 1.153 2.618 0.383 1.00 0.00 C ATOM 276 CG LEU A 17 1.089 1.454 -0.612 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.354 0.284 -0.003 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.298 1.837 -1.829 1.00 0.00 C ATOM 0 H LEU A 17 3.049 1.283 1.158 1.00 0.00 H new ATOM 0 HA LEU A 17 2.870 3.646 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.880 2.264 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.423 3.378 0.104 1.00 0.00 H new ATOM 0 HG LEU A 17 2.118 1.200 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.316 -0.535 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.875 -0.045 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.661 0.587 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.266 0.996 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.717 2.104 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.770 2.690 -2.316 1.00 0.00 H new ATOM 290 N HIS A 18 2.592 4.099 2.736 1.00 0.00 N ATOM 291 CA HIS A 18 2.542 5.172 3.797 1.00 0.00 C ATOM 292 C HIS A 18 3.927 5.781 4.113 1.00 0.00 C ATOM 293 O HIS A 18 4.017 6.669 4.947 1.00 0.00 O ATOM 294 CB HIS A 18 1.945 4.485 5.043 1.00 0.00 C ATOM 295 CG HIS A 18 0.458 4.298 4.848 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.479 5.215 5.305 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.273 3.327 4.211 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.691 4.765 4.925 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.610 3.649 4.248 1.00 0.00 N ATOM 0 H HIS A 18 2.659 3.147 3.096 1.00 0.00 H new ATOM 0 HA HIS A 18 1.942 6.015 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.426 3.520 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.134 5.089 5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.140 2.442 3.749 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.620 5.267 5.153 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.380 3.125 3.833 1.00 0.00 H new ATOM 307 N LEU A 19 4.999 5.349 3.459 1.00 0.00 N ATOM 308 CA LEU A 19 6.347 5.954 3.745 1.00 0.00 C ATOM 309 C LEU A 19 6.354 7.414 3.244 1.00 0.00 C ATOM 310 O LEU A 19 5.896 7.686 2.145 1.00 0.00 O ATOM 311 CB LEU A 19 7.387 5.097 2.996 1.00 0.00 C ATOM 312 CG LEU A 19 7.886 3.957 3.904 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.825 3.038 3.117 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.636 4.527 5.114 1.00 0.00 C ATOM 0 H LEU A 19 4.993 4.615 2.751 1.00 0.00 H new ATOM 0 HA LEU A 19 6.578 5.967 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.944 4.683 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.226 5.719 2.685 1.00 0.00 H new ATOM 0 HG LEU A 19 7.023 3.390 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.174 2.234 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.291 2.613 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.679 3.612 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.982 3.709 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.492 5.108 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.967 5.170 5.687 1.00 0.00 H new ATOM 326 N PRO A 20 6.836 8.319 4.086 1.00 0.00 N ATOM 327 CA PRO A 20 6.847 9.775 3.739 1.00 0.00 C ATOM 328 C PRO A 20 7.806 10.130 2.585 1.00 0.00 C ATOM 329 O PRO A 20 7.681 11.200 2.013 1.00 0.00 O ATOM 330 CB PRO A 20 7.298 10.448 5.036 1.00 0.00 C ATOM 331 CG PRO A 20 8.065 9.398 5.766 1.00 0.00 C ATOM 332 CD PRO A 20 7.421 8.085 5.421 1.00 0.00 C ATOM 0 HA PRO A 20 5.869 10.100 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.918 11.321 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.444 10.792 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.114 9.406 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.037 9.574 6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.150 7.275 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.658 7.810 6.149 1.00 0.00 H new ATOM 340 N ASN A 21 8.764 9.281 2.244 1.00 0.00 N ATOM 341 CA ASN A 21 9.712 9.638 1.139 1.00 0.00 C ATOM 342 C ASN A 21 9.661 8.627 -0.028 1.00 0.00 C ATOM 343 O ASN A 21 10.462 8.718 -0.946 1.00 0.00 O ATOM 344 CB ASN A 21 11.093 9.662 1.805 1.00 0.00 C ATOM 345 CG ASN A 21 11.105 10.666 2.959 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.926 10.298 4.103 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.319 11.919 2.709 1.00 0.00 N ATOM 0 H ASN A 21 8.923 8.373 2.680 1.00 0.00 H new ATOM 0 HA ASN A 21 9.455 10.595 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.344 8.668 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.854 9.930 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.337 12.595 3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.469 12.229 1.749 1.00 0.00 H new ATOM 354 N LEU A 22 8.713 7.693 -0.037 1.00 0.00 N ATOM 355 CA LEU A 22 8.622 6.733 -1.188 1.00 0.00 C ATOM 356 C LEU A 22 7.757 7.344 -2.291 1.00 0.00 C ATOM 357 O LEU A 22 6.779 8.030 -2.028 1.00 0.00 O ATOM 358 CB LEU A 22 7.986 5.423 -0.668 1.00 0.00 C ATOM 359 CG LEU A 22 9.024 4.515 0.039 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.588 3.053 -0.088 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.409 4.646 -0.598 1.00 0.00 C ATOM 0 H LEU A 22 8.014 7.563 0.695 1.00 0.00 H new ATOM 0 HA LEU A 22 9.610 6.526 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.180 5.662 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.538 4.881 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 22 9.078 4.825 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.316 2.412 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.612 2.923 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.525 2.782 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.112 3.996 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.356 4.356 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.747 5.679 -0.524 1.00 0.00 H new ATOM 373 N ASN A 23 8.122 7.095 -3.523 1.00 0.00 N ATOM 374 CA ASN A 23 7.350 7.651 -4.686 1.00 0.00 C ATOM 375 C ASN A 23 6.721 6.525 -5.508 1.00 0.00 C ATOM 376 O ASN A 23 6.785 5.370 -5.139 1.00 0.00 O ATOM 377 CB ASN A 23 8.345 8.473 -5.537 1.00 0.00 C ATOM 378 CG ASN A 23 9.644 7.691 -5.792 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.682 6.821 -6.634 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.710 7.961 -5.086 1.00 0.00 N ATOM 0 H ASN A 23 8.929 6.526 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 23 6.531 8.282 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.883 8.734 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.576 9.409 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.572 7.440 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.680 8.693 -4.377 1.00 0.00 H new ATOM 387 N GLU A 24 6.102 6.869 -6.613 1.00 0.00 N ATOM 388 CA GLU A 24 5.434 5.838 -7.483 1.00 0.00 C ATOM 389 C GLU A 24 6.451 4.792 -7.975 1.00 0.00 C ATOM 390 O GLU A 24 6.128 3.630 -8.076 1.00 0.00 O ATOM 391 CB GLU A 24 4.842 6.623 -8.665 1.00 0.00 C ATOM 392 CG GLU A 24 3.857 5.743 -9.451 1.00 0.00 C ATOM 393 CD GLU A 24 2.542 5.605 -8.674 1.00 0.00 C ATOM 394 OE1 GLU A 24 1.765 6.548 -8.680 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.336 4.565 -8.082 1.00 0.00 O ATOM 0 H GLU A 24 6.028 7.827 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 24 4.667 5.287 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.332 7.514 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.643 6.961 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.666 6.182 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.293 4.759 -9.622 1.00 0.00 H new ATOM 402 N GLU A 25 7.671 5.199 -8.269 1.00 0.00 N ATOM 403 CA GLU A 25 8.709 4.218 -8.745 1.00 0.00 C ATOM 404 C GLU A 25 9.155 3.287 -7.596 1.00 0.00 C ATOM 405 O GLU A 25 9.194 2.084 -7.759 1.00 0.00 O ATOM 406 CB GLU A 25 9.882 5.077 -9.238 1.00 0.00 C ATOM 407 CG GLU A 25 10.964 4.186 -9.866 1.00 0.00 C ATOM 408 CD GLU A 25 12.210 5.025 -10.180 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.884 5.431 -9.244 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.473 5.240 -11.351 1.00 0.00 O ATOM 0 H GLU A 25 7.991 6.165 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 25 8.322 3.570 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.528 5.803 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.303 5.642 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.222 3.376 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.585 3.726 -10.778 1.00 0.00 H new ATOM 417 N GLN A 26 9.491 3.842 -6.444 1.00 0.00 N ATOM 418 CA GLN A 26 9.946 2.997 -5.277 1.00 0.00 C ATOM 419 C GLN A 26 8.782 2.205 -4.668 1.00 0.00 C ATOM 420 O GLN A 26 8.883 1.005 -4.487 1.00 0.00 O ATOM 421 CB GLN A 26 10.528 3.985 -4.251 1.00 0.00 C ATOM 422 CG GLN A 26 12.060 4.007 -4.362 1.00 0.00 C ATOM 423 CD GLN A 26 12.488 4.570 -5.726 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.358 5.749 -5.980 1.00 0.00 O ATOM 425 NE2 GLN A 26 12.995 3.766 -6.621 1.00 0.00 N ATOM 0 H GLN A 26 9.470 4.845 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 26 10.682 2.257 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.127 4.983 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.231 3.694 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.481 4.616 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.455 2.999 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.106 2.774 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.280 4.130 -7.530 1.00 0.00 H new ATOM 434 N ARG A 27 7.686 2.866 -4.353 1.00 0.00 N ATOM 435 CA ARG A 27 6.506 2.160 -3.742 1.00 0.00 C ATOM 436 C ARG A 27 5.949 1.052 -4.669 1.00 0.00 C ATOM 437 O ARG A 27 5.715 -0.056 -4.229 1.00 0.00 O ATOM 438 CB ARG A 27 5.444 3.258 -3.545 1.00 0.00 C ATOM 439 CG ARG A 27 4.085 2.641 -3.169 1.00 0.00 C ATOM 440 CD ARG A 27 2.980 3.704 -3.235 1.00 0.00 C ATOM 441 NE ARG A 27 2.994 4.234 -4.639 1.00 0.00 N ATOM 442 CZ ARG A 27 2.955 5.530 -4.861 1.00 0.00 C ATOM 443 NH1 ARG A 27 1.965 6.045 -5.545 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.904 6.305 -4.397 1.00 0.00 N ATOM 0 H ARG A 27 7.558 3.868 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 27 6.787 1.665 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.766 3.945 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.343 3.841 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.851 1.821 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.135 2.220 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.009 3.272 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.164 4.502 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 27 3.034 3.586 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.225 5.442 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.933 7.050 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.675 5.904 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.872 7.310 -4.570 1.00 0.00 H new ATOM 458 N ASN A 28 5.724 1.353 -5.941 1.00 0.00 N ATOM 459 CA ASN A 28 5.162 0.325 -6.894 1.00 0.00 C ATOM 460 C ASN A 28 6.136 -0.843 -7.072 1.00 0.00 C ATOM 461 O ASN A 28 5.728 -1.988 -7.038 1.00 0.00 O ATOM 462 CB ASN A 28 4.961 1.075 -8.210 1.00 0.00 C ATOM 463 CG ASN A 28 4.269 0.199 -9.271 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.937 -0.947 -9.033 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.037 0.705 -10.448 1.00 0.00 N ATOM 0 H ASN A 28 5.906 2.266 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 28 4.232 -0.109 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.363 1.968 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.927 1.409 -8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.579 0.141 -11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.313 1.665 -10.654 1.00 0.00 H new ATOM 472 N ALA A 29 7.416 -0.558 -7.231 1.00 0.00 N ATOM 473 CA ALA A 29 8.433 -1.659 -7.378 1.00 0.00 C ATOM 474 C ALA A 29 8.371 -2.574 -6.160 1.00 0.00 C ATOM 475 O ALA A 29 8.461 -3.781 -6.276 1.00 0.00 O ATOM 476 CB ALA A 29 9.775 -0.963 -7.392 1.00 0.00 C ATOM 0 H ALA A 29 7.798 0.387 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 29 8.260 -2.256 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.568 -1.704 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.815 -0.267 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.911 -0.416 -6.459 1.00 0.00 H new ATOM 482 N PHE A 30 8.191 -1.985 -4.997 1.00 0.00 N ATOM 483 CA PHE A 30 8.080 -2.780 -3.744 1.00 0.00 C ATOM 484 C PHE A 30 6.856 -3.645 -3.788 1.00 0.00 C ATOM 485 O PHE A 30 6.916 -4.802 -3.485 1.00 0.00 O ATOM 486 CB PHE A 30 7.960 -1.758 -2.626 1.00 0.00 C ATOM 487 CG PHE A 30 9.334 -1.276 -2.254 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.433 -2.140 -2.358 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.511 0.020 -1.781 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.683 -1.719 -1.985 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.778 0.443 -1.413 1.00 0.00 C ATOM 492 CZ PHE A 30 11.863 -0.439 -1.512 1.00 0.00 C ATOM 0 H PHE A 30 8.116 -0.976 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 30 8.937 -3.438 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.341 -0.920 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.470 -2.203 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.294 -3.143 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.668 0.691 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.525 -2.391 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.929 1.449 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.848 -0.112 -1.215 1.00 0.00 H new ATOM 502 N ILE A 31 5.764 -3.087 -4.208 1.00 0.00 N ATOM 503 CA ILE A 31 4.510 -3.870 -4.336 1.00 0.00 C ATOM 504 C ILE A 31 4.721 -4.971 -5.394 1.00 0.00 C ATOM 505 O ILE A 31 4.167 -6.040 -5.268 1.00 0.00 O ATOM 506 CB ILE A 31 3.464 -2.824 -4.715 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.344 -1.847 -3.541 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.128 -3.485 -4.957 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.605 -0.593 -3.961 1.00 0.00 C ATOM 0 H ILE A 31 5.684 -2.105 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 31 4.195 -4.399 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 31 3.761 -2.306 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.818 -2.326 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.337 -1.585 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.391 -2.728 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.221 -4.206 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.806 -3.998 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.531 0.087 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.147 -0.105 -4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.604 -0.858 -4.302 1.00 0.00 H new ATOM 521 N GLN A 32 5.571 -4.738 -6.393 1.00 0.00 N ATOM 522 CA GLN A 32 5.860 -5.807 -7.408 1.00 0.00 C ATOM 523 C GLN A 32 6.726 -6.911 -6.759 1.00 0.00 C ATOM 524 O GLN A 32 6.401 -8.078 -6.842 1.00 0.00 O ATOM 525 CB GLN A 32 6.585 -5.097 -8.561 1.00 0.00 C ATOM 526 CG GLN A 32 5.581 -4.202 -9.307 1.00 0.00 C ATOM 527 CD GLN A 32 6.304 -3.372 -10.372 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.718 -2.260 -10.111 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.472 -3.864 -11.570 1.00 0.00 N ATOM 0 H GLN A 32 6.067 -3.859 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 32 4.960 -6.299 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.410 -4.498 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.016 -5.830 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.812 -4.817 -9.774 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.076 -3.542 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.125 -4.797 -11.791 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.950 -3.315 -12.284 1.00 0.00 H new ATOM 538 N SER A 33 7.787 -6.532 -6.064 1.00 0.00 N ATOM 539 CA SER A 33 8.657 -7.538 -5.340 1.00 0.00 C ATOM 540 C SER A 33 7.902 -8.155 -4.138 1.00 0.00 C ATOM 541 O SER A 33 8.169 -9.272 -3.741 1.00 0.00 O ATOM 542 CB SER A 33 9.891 -6.749 -4.872 1.00 0.00 C ATOM 543 OG SER A 33 9.482 -5.576 -4.182 1.00 0.00 O ATOM 0 H SER A 33 8.090 -5.563 -5.966 1.00 0.00 H new ATOM 0 HA SER A 33 8.935 -8.371 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.504 -7.370 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.508 -6.481 -5.729 1.00 0.00 H new ATOM 0 HG SER A 33 8.513 -5.601 -4.040 1.00 0.00 H new ATOM 549 N LEU A 34 6.974 -7.416 -3.564 1.00 0.00 N ATOM 550 CA LEU A 34 6.179 -7.893 -2.383 1.00 0.00 C ATOM 551 C LEU A 34 5.033 -8.829 -2.826 1.00 0.00 C ATOM 552 O LEU A 34 4.852 -9.888 -2.253 1.00 0.00 O ATOM 553 CB LEU A 34 5.650 -6.581 -1.771 1.00 0.00 C ATOM 554 CG LEU A 34 4.942 -6.815 -0.442 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.960 -7.020 0.660 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.106 -5.589 -0.104 1.00 0.00 C ATOM 0 H LEU A 34 6.730 -6.476 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 34 6.761 -8.483 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.480 -5.890 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.961 -6.107 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 34 4.311 -7.700 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.444 -7.186 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.579 -7.886 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.591 -6.135 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.595 -5.747 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.755 -4.716 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.368 -5.424 -0.889 1.00 0.00 H new ATOM 568 N LYS A 35 4.265 -8.447 -3.844 1.00 0.00 N ATOM 569 CA LYS A 35 3.131 -9.321 -4.331 1.00 0.00 C ATOM 570 C LYS A 35 3.693 -10.623 -4.940 1.00 0.00 C ATOM 571 O LYS A 35 3.098 -11.677 -4.796 1.00 0.00 O ATOM 572 CB LYS A 35 2.348 -8.484 -5.380 1.00 0.00 C ATOM 573 CG LYS A 35 1.180 -7.754 -4.718 1.00 0.00 C ATOM 574 CD LYS A 35 -0.090 -7.939 -5.555 1.00 0.00 C ATOM 575 CE LYS A 35 -1.324 -7.782 -4.654 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.829 -9.168 -4.409 1.00 0.00 N ATOM 0 H LYS A 35 4.378 -7.570 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 35 2.468 -9.618 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.016 -7.762 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.976 -9.136 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.022 -8.140 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.411 -6.693 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.118 -7.204 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.090 -8.924 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.064 -7.289 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.085 -7.168 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.499 -9.158 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.310 -9.518 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.030 -9.793 -4.181 1.00 0.00 H new ATOM 590 N ASP A 36 4.842 -10.557 -5.596 1.00 0.00 N ATOM 591 CA ASP A 36 5.460 -11.793 -6.193 1.00 0.00 C ATOM 592 C ASP A 36 6.269 -12.585 -5.136 1.00 0.00 C ATOM 593 O ASP A 36 6.243 -13.803 -5.135 1.00 0.00 O ATOM 594 CB ASP A 36 6.380 -11.300 -7.332 1.00 0.00 C ATOM 595 CG ASP A 36 5.568 -10.648 -8.479 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.416 -11.013 -8.680 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.127 -9.801 -9.155 1.00 0.00 O ATOM 0 H ASP A 36 5.374 -9.699 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 36 4.694 -12.474 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.095 -10.579 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.956 -12.138 -7.724 1.00 0.00 H new ATOM 602 N ASP A 37 6.989 -11.907 -4.244 1.00 0.00 N ATOM 603 CA ASP A 37 7.797 -12.630 -3.198 1.00 0.00 C ATOM 604 C ASP A 37 7.284 -12.308 -1.775 1.00 0.00 C ATOM 605 O ASP A 37 7.537 -11.231 -1.255 1.00 0.00 O ATOM 606 CB ASP A 37 9.244 -12.137 -3.378 1.00 0.00 C ATOM 607 CG ASP A 37 10.216 -13.149 -2.755 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.249 -13.245 -1.536 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.910 -13.812 -3.506 1.00 0.00 O ATOM 0 H ASP A 37 7.046 -10.889 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 37 7.720 -13.711 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.466 -12.010 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.368 -11.162 -2.907 1.00 0.00 H new ATOM 614 N PRO A 38 6.573 -13.261 -1.187 1.00 0.00 N ATOM 615 CA PRO A 38 6.016 -13.085 0.189 1.00 0.00 C ATOM 616 C PRO A 38 7.107 -13.089 1.288 1.00 0.00 C ATOM 617 O PRO A 38 7.015 -12.338 2.240 1.00 0.00 O ATOM 618 CB PRO A 38 5.092 -14.293 0.351 1.00 0.00 C ATOM 619 CG PRO A 38 5.640 -15.323 -0.574 1.00 0.00 C ATOM 620 CD PRO A 38 6.207 -14.577 -1.744 1.00 0.00 C ATOM 0 HA PRO A 38 5.516 -12.123 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.086 -14.650 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.063 -14.040 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.410 -15.918 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.859 -16.013 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.074 -15.089 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.477 -14.481 -2.548 1.00 0.00 H new ATOM 628 N SER A 39 8.111 -13.944 1.178 1.00 0.00 N ATOM 629 CA SER A 39 9.189 -14.019 2.235 1.00 0.00 C ATOM 630 C SER A 39 10.018 -12.726 2.331 1.00 0.00 C ATOM 631 O SER A 39 10.422 -12.341 3.415 1.00 0.00 O ATOM 632 CB SER A 39 10.077 -15.203 1.837 1.00 0.00 C ATOM 633 OG SER A 39 11.011 -15.466 2.878 1.00 0.00 O ATOM 0 H SER A 39 8.230 -14.594 0.401 1.00 0.00 H new ATOM 0 HA SER A 39 8.743 -14.148 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.464 -16.085 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.604 -14.981 0.909 1.00 0.00 H new ATOM 0 HG SER A 39 10.559 -15.408 3.746 1.00 0.00 H new ATOM 639 N GLN A 40 10.270 -12.047 1.225 1.00 0.00 N ATOM 640 CA GLN A 40 11.071 -10.778 1.284 1.00 0.00 C ATOM 641 C GLN A 40 10.194 -9.573 1.678 1.00 0.00 C ATOM 642 O GLN A 40 10.673 -8.465 1.679 1.00 0.00 O ATOM 643 CB GLN A 40 11.635 -10.574 -0.136 1.00 0.00 C ATOM 644 CG GLN A 40 12.955 -9.792 -0.069 1.00 0.00 C ATOM 645 CD GLN A 40 14.100 -10.739 0.314 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.583 -10.702 1.427 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.559 -11.588 -0.566 1.00 0.00 N ATOM 0 H GLN A 40 9.956 -12.318 0.293 1.00 0.00 H new ATOM 0 HA GLN A 40 11.857 -10.852 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.799 -11.540 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.913 -10.034 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.162 -9.327 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.875 -8.988 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.155 -11.621 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.322 -12.218 -0.317 1.00 0.00 H new ATOM 656 N SER A 41 8.916 -9.768 1.983 1.00 0.00 N ATOM 657 CA SER A 41 8.024 -8.604 2.330 1.00 0.00 C ATOM 658 C SER A 41 8.564 -7.753 3.487 1.00 0.00 C ATOM 659 O SER A 41 8.592 -6.542 3.371 1.00 0.00 O ATOM 660 CB SER A 41 6.664 -9.217 2.695 1.00 0.00 C ATOM 661 OG SER A 41 6.785 -10.031 3.860 1.00 0.00 O ATOM 0 H SER A 41 8.460 -10.680 2.005 1.00 0.00 H new ATOM 0 HA SER A 41 7.959 -7.919 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.936 -8.425 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.291 -9.814 1.863 1.00 0.00 H new ATOM 0 HG SER A 41 6.886 -10.969 3.595 1.00 0.00 H new ATOM 667 N ALA A 42 9.009 -8.343 4.584 1.00 0.00 N ATOM 668 CA ALA A 42 9.567 -7.491 5.694 1.00 0.00 C ATOM 669 C ALA A 42 10.793 -6.741 5.182 1.00 0.00 C ATOM 670 O ALA A 42 10.896 -5.541 5.340 1.00 0.00 O ATOM 671 CB ALA A 42 10.013 -8.434 6.776 1.00 0.00 C ATOM 0 H ALA A 42 9.010 -9.349 4.755 1.00 0.00 H new ATOM 0 HA ALA A 42 8.825 -6.778 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.427 -7.864 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.161 -9.017 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.775 -9.106 6.382 1.00 0.00 H new ATOM 677 N ASN A 43 11.699 -7.456 4.525 1.00 0.00 N ATOM 678 CA ASN A 43 12.912 -6.812 3.928 1.00 0.00 C ATOM 679 C ASN A 43 12.469 -5.724 2.970 1.00 0.00 C ATOM 680 O ASN A 43 13.081 -4.695 2.904 1.00 0.00 O ATOM 681 CB ASN A 43 13.610 -7.893 3.118 1.00 0.00 C ATOM 682 CG ASN A 43 14.685 -8.580 3.964 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.544 -9.729 4.328 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.762 -7.919 4.302 1.00 0.00 N ATOM 0 H ASN A 43 11.639 -8.464 4.382 1.00 0.00 H new ATOM 0 HA ASN A 43 13.557 -6.387 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.882 -8.628 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.062 -7.455 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.480 -8.370 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.884 -6.953 3.998 1.00 0.00 H new ATOM 691 N LEU A 44 11.391 -5.963 2.242 1.00 0.00 N ATOM 692 CA LEU A 44 10.860 -4.950 1.287 1.00 0.00 C ATOM 693 C LEU A 44 10.416 -3.737 2.024 1.00 0.00 C ATOM 694 O LEU A 44 10.724 -2.633 1.617 1.00 0.00 O ATOM 695 CB LEU A 44 9.697 -5.600 0.577 1.00 0.00 C ATOM 696 CG LEU A 44 10.264 -6.488 -0.496 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.121 -7.219 -1.168 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.043 -5.606 -1.474 1.00 0.00 C ATOM 0 H LEU A 44 10.858 -6.832 2.278 1.00 0.00 H new ATOM 0 HA LEU A 44 11.622 -4.635 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.096 -6.180 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.041 -4.845 0.143 1.00 0.00 H new ATOM 0 HG LEU A 44 10.945 -7.237 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.514 -7.869 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.590 -7.820 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.435 -6.495 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.466 -6.225 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.372 -4.867 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.847 -5.096 -0.943 1.00 0.00 H new ATOM 710 N LEU A 45 9.748 -3.911 3.136 1.00 0.00 N ATOM 711 CA LEU A 45 9.390 -2.712 3.907 1.00 0.00 C ATOM 712 C LEU A 45 10.687 -2.113 4.439 1.00 0.00 C ATOM 713 O LEU A 45 10.905 -0.958 4.283 1.00 0.00 O ATOM 714 CB LEU A 45 8.469 -3.146 5.026 1.00 0.00 C ATOM 715 CG LEU A 45 8.341 -2.025 6.062 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.048 -0.687 5.363 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.208 -2.378 7.020 1.00 0.00 C ATOM 0 H LEU A 45 9.449 -4.806 3.524 1.00 0.00 H new ATOM 0 HA LEU A 45 8.875 -1.960 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.487 -3.395 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.858 -4.048 5.499 1.00 0.00 H new ATOM 0 HG LEU A 45 9.275 -1.923 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.959 0.102 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.862 -0.448 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.115 -0.765 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.103 -1.590 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.277 -2.476 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.433 -3.321 7.518 1.00 0.00 H new ATOM 729 N ALA A 46 11.562 -2.908 5.026 1.00 0.00 N ATOM 730 CA ALA A 46 12.873 -2.358 5.532 1.00 0.00 C ATOM 731 C ALA A 46 13.628 -1.617 4.426 1.00 0.00 C ATOM 732 O ALA A 46 14.141 -0.555 4.663 1.00 0.00 O ATOM 733 CB ALA A 46 13.710 -3.567 5.907 1.00 0.00 C ATOM 0 H ALA A 46 11.427 -3.908 5.176 1.00 0.00 H new ATOM 0 HA ALA A 46 12.694 -1.669 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.678 -3.237 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.197 -4.139 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.857 -4.194 5.028 1.00 0.00 H new ATOM 739 N GLU A 47 13.689 -2.167 3.224 1.00 0.00 N ATOM 740 CA GLU A 47 14.394 -1.452 2.118 1.00 0.00 C ATOM 741 C GLU A 47 13.550 -0.237 1.731 1.00 0.00 C ATOM 742 O GLU A 47 14.094 0.809 1.457 1.00 0.00 O ATOM 743 CB GLU A 47 14.649 -2.440 0.969 1.00 0.00 C ATOM 744 CG GLU A 47 13.391 -3.055 0.431 1.00 0.00 C ATOM 745 CD GLU A 47 13.776 -4.253 -0.449 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.894 -5.344 0.088 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.967 -4.061 -1.637 1.00 0.00 O ATOM 0 H GLU A 47 13.284 -3.069 2.973 1.00 0.00 H new ATOM 0 HA GLU A 47 15.374 -1.078 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.168 -1.923 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.312 -3.231 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.746 -3.377 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.829 -2.323 -0.149 1.00 0.00 H new ATOM 754 N ALA A 48 12.225 -0.331 1.787 1.00 0.00 N ATOM 755 CA ALA A 48 11.388 0.869 1.535 1.00 0.00 C ATOM 756 C ALA A 48 11.629 1.892 2.672 1.00 0.00 C ATOM 757 O ALA A 48 11.745 3.073 2.428 1.00 0.00 O ATOM 758 CB ALA A 48 9.968 0.337 1.570 1.00 0.00 C ATOM 0 H ALA A 48 11.709 -1.186 1.996 1.00 0.00 H new ATOM 0 HA ALA A 48 11.608 1.374 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.269 1.154 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.844 -0.421 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.769 -0.105 2.546 1.00 0.00 H new ATOM 764 N LYS A 49 11.779 1.410 3.908 1.00 0.00 N ATOM 765 CA LYS A 49 12.099 2.286 5.089 1.00 0.00 C ATOM 766 C LYS A 49 13.490 2.878 4.843 1.00 0.00 C ATOM 767 O LYS A 49 13.740 4.051 5.019 1.00 0.00 O ATOM 768 CB LYS A 49 12.150 1.316 6.298 1.00 0.00 C ATOM 769 CG LYS A 49 10.763 0.808 6.688 1.00 0.00 C ATOM 770 CD LYS A 49 9.837 1.973 6.988 1.00 0.00 C ATOM 771 CE LYS A 49 8.627 1.456 7.766 1.00 0.00 C ATOM 772 NZ LYS A 49 8.452 2.387 8.923 1.00 0.00 N ATOM 0 H LYS A 49 11.688 0.421 4.140 1.00 0.00 H new ATOM 0 HA LYS A 49 11.384 3.092 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.791 0.468 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.602 1.823 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.349 0.205 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.838 0.161 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.362 2.732 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.515 2.447 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.736 1.442 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.791 0.434 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.637 2.083 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.310 2.375 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.288 3.352 8.571 1.00 0.00 H new ATOM 786 N LYS A 50 14.366 2.020 4.372 1.00 0.00 N ATOM 787 CA LYS A 50 15.763 2.396 4.010 1.00 0.00 C ATOM 788 C LYS A 50 15.722 3.453 2.894 1.00 0.00 C ATOM 789 O LYS A 50 16.493 4.391 2.897 1.00 0.00 O ATOM 790 CB LYS A 50 16.355 1.047 3.544 1.00 0.00 C ATOM 791 CG LYS A 50 17.578 1.203 2.635 1.00 0.00 C ATOM 792 CD LYS A 50 17.652 -0.026 1.708 1.00 0.00 C ATOM 793 CE LYS A 50 18.077 -1.265 2.516 1.00 0.00 C ATOM 794 NZ LYS A 50 18.291 -2.345 1.505 1.00 0.00 N ATOM 0 H LYS A 50 14.155 1.034 4.219 1.00 0.00 H new ATOM 0 HA LYS A 50 16.354 2.842 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.634 0.459 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.586 0.485 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.500 2.118 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.487 1.284 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.682 -0.200 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.364 0.157 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.988 -1.071 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.308 -1.547 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.583 -3.219 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.406 -2.515 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.033 -2.054 0.838 1.00 0.00 H new ATOM 808 N LEU A 51 14.797 3.306 1.959 1.00 0.00 N ATOM 809 CA LEU A 51 14.655 4.298 0.848 1.00 0.00 C ATOM 810 C LEU A 51 14.020 5.583 1.372 1.00 0.00 C ATOM 811 O LEU A 51 14.415 6.661 0.999 1.00 0.00 O ATOM 812 CB LEU A 51 13.718 3.642 -0.178 1.00 0.00 C ATOM 813 CG LEU A 51 14.500 3.034 -1.353 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.834 2.442 -0.888 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.661 1.926 -1.974 1.00 0.00 C ATOM 0 H LEU A 51 14.133 2.532 1.926 1.00 0.00 H new ATOM 0 HA LEU A 51 15.621 4.555 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.131 2.864 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.014 4.384 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 51 14.707 3.822 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.363 2.020 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.442 3.226 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.648 1.658 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.203 1.484 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.460 1.159 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.718 2.340 -2.331 1.00 0.00 H new ATOM 827 N ASN A 52 13.035 5.465 2.237 1.00 0.00 N ATOM 828 CA ASN A 52 12.363 6.679 2.793 1.00 0.00 C ATOM 829 C ASN A 52 13.383 7.533 3.575 1.00 0.00 C ATOM 830 O ASN A 52 13.363 8.738 3.481 1.00 0.00 O ATOM 831 CB ASN A 52 11.179 6.151 3.658 1.00 0.00 C ATOM 832 CG ASN A 52 11.379 6.402 5.164 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.641 5.487 5.914 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.245 7.605 5.640 1.00 0.00 N ATOM 0 H ASN A 52 12.670 4.576 2.580 1.00 0.00 H new ATOM 0 HA ASN A 52 11.972 7.345 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.256 6.632 3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.058 5.081 3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.360 7.774 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.025 8.380 5.014 1.00 0.00 H new ATOM 841 N ASP A 53 14.281 6.915 4.317 1.00 0.00 N ATOM 842 CA ASP A 53 15.314 7.705 5.077 1.00 0.00 C ATOM 843 C ASP A 53 16.473 8.132 4.151 1.00 0.00 C ATOM 844 O ASP A 53 16.970 9.241 4.258 1.00 0.00 O ATOM 845 CB ASP A 53 15.830 6.782 6.188 1.00 0.00 C ATOM 846 CG ASP A 53 14.687 6.372 7.143 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.892 7.225 7.513 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.638 5.207 7.499 1.00 0.00 O ATOM 0 H ASP A 53 14.343 5.903 4.429 1.00 0.00 H new ATOM 0 HA ASP A 53 14.882 8.619 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.277 5.891 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.615 7.288 6.750 1.00 0.00 H new ATOM 853 N ALA A 54 16.902 7.264 3.246 1.00 0.00 N ATOM 854 CA ALA A 54 18.026 7.622 2.306 1.00 0.00 C ATOM 855 C ALA A 54 17.552 8.692 1.309 1.00 0.00 C ATOM 856 O ALA A 54 18.184 9.724 1.156 1.00 0.00 O ATOM 857 CB ALA A 54 18.387 6.322 1.578 1.00 0.00 C ATOM 0 H ALA A 54 16.521 6.326 3.121 1.00 0.00 H new ATOM 0 HA ALA A 54 18.888 8.032 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.200 6.511 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.702 5.573 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.516 5.956 1.034 1.00 0.00 H new ATOM 863 N GLN A 55 16.423 8.461 0.662 1.00 0.00 N ATOM 864 CA GLN A 55 15.854 9.468 -0.302 1.00 0.00 C ATOM 865 C GLN A 55 15.395 10.734 0.458 1.00 0.00 C ATOM 866 O GLN A 55 15.321 11.805 -0.121 1.00 0.00 O ATOM 867 CB GLN A 55 14.647 8.800 -0.978 1.00 0.00 C ATOM 868 CG GLN A 55 15.096 7.579 -1.804 1.00 0.00 C ATOM 869 CD GLN A 55 13.885 6.990 -2.536 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.913 6.816 -3.735 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.814 6.677 -1.858 1.00 0.00 N ATOM 0 H GLN A 55 15.869 7.610 0.763 1.00 0.00 H new ATOM 0 HA GLN A 55 16.601 9.770 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.926 8.489 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.142 9.518 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.862 7.873 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.542 6.828 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.789 6.823 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.003 6.287 -2.338 1.00 0.00 H new ATOM 880 N ALA A 56 15.075 10.606 1.746 1.00 0.00 N ATOM 881 CA ALA A 56 14.605 11.787 2.557 1.00 0.00 C ATOM 882 C ALA A 56 15.617 12.940 2.542 1.00 0.00 C ATOM 883 O ALA A 56 16.804 12.731 2.345 1.00 0.00 O ATOM 884 CB ALA A 56 14.454 11.297 4.002 1.00 0.00 C ATOM 0 H ALA A 56 15.122 9.728 2.263 1.00 0.00 H new ATOM 0 HA ALA A 56 13.673 12.162 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.114 12.119 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.725 10.488 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.416 10.935 4.366 1.00 0.00 H new ATOM 1014 N ASN B 6 0.281 -6.096 -8.842 1.00 0.00 N ATOM 1015 CA ASN B 6 1.226 -5.276 -7.999 1.00 0.00 C ATOM 1016 C ASN B 6 1.516 -3.882 -8.590 1.00 0.00 C ATOM 1017 O ASN B 6 2.130 -3.057 -7.939 1.00 0.00 O ATOM 1018 CB ASN B 6 2.513 -6.114 -7.878 1.00 0.00 C ATOM 1019 CG ASN B 6 3.084 -6.538 -9.252 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.825 -5.920 -10.267 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.859 -7.585 -9.324 1.00 0.00 N ATOM 0 HA ASN B 6 0.779 -5.070 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.266 -5.539 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.307 -7.005 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN B 6 4.240 -7.877 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.084 -8.112 -8.480 1.00 0.00 H new ATOM 1028 N LYS B 7 1.056 -3.600 -9.784 1.00 0.00 N ATOM 1029 CA LYS B 7 1.271 -2.237 -10.379 1.00 0.00 C ATOM 1030 C LYS B 7 0.088 -1.343 -10.037 1.00 0.00 C ATOM 1031 O LYS B 7 0.241 -0.158 -9.834 1.00 0.00 O ATOM 1032 CB LYS B 7 1.388 -2.462 -11.890 1.00 0.00 C ATOM 1033 CG LYS B 7 2.688 -3.214 -12.200 1.00 0.00 C ATOM 1034 CD LYS B 7 2.787 -3.480 -13.705 1.00 0.00 C ATOM 1035 CE LYS B 7 4.010 -4.367 -13.998 1.00 0.00 C ATOM 1036 NZ LYS B 7 3.656 -5.742 -13.513 1.00 0.00 N ATOM 0 H LYS B 7 0.541 -4.252 -10.375 1.00 0.00 H new ATOM 0 HA LYS B 7 2.163 -1.744 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.532 -3.032 -12.250 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.376 -1.505 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.545 -2.629 -11.868 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.713 -4.156 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.879 -3.969 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.872 -2.537 -14.245 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.237 -4.377 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.896 -3.990 -13.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 4.164 -6.451 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.927 -5.838 -12.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.631 -5.891 -13.610 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.082 -1.919 -9.946 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.290 -1.125 -9.579 1.00 0.00 C ATOM 1052 C GLU B 8 -2.297 -0.783 -8.086 1.00 0.00 C ATOM 1053 O GLU B 8 -2.910 0.192 -7.706 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.519 -1.960 -9.985 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.531 -3.326 -9.279 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.616 -4.207 -9.905 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -4.330 -4.845 -10.903 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.710 -4.228 -9.376 1.00 0.00 O ATOM 0 H GLU B 8 -1.253 -2.911 -10.111 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.298 -0.168 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.429 -1.414 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.519 -2.107 -11.065 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.557 -3.806 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.721 -3.196 -8.214 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.602 -1.531 -7.236 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.590 -1.145 -5.780 1.00 0.00 C ATOM 1067 C LEU B 9 -0.736 0.104 -5.576 1.00 0.00 C ATOM 1068 O LEU B 9 -0.931 0.821 -4.614 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.998 -2.265 -4.923 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.585 -3.640 -5.247 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.598 -4.715 -4.748 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.926 -3.782 -4.510 1.00 0.00 C ATOM 0 H LEU B 9 -1.063 -2.362 -7.481 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.621 -0.958 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.082 -2.294 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.172 -2.041 -3.871 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.745 -3.756 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.996 -5.705 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.361 -4.590 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.460 -4.611 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.360 -4.757 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.762 -3.691 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.608 -2.999 -4.841 1.00 0.00 H new ATOM 1084 N SER B 10 0.203 0.383 -6.467 1.00 0.00 N ATOM 1085 CA SER B 10 1.034 1.613 -6.292 1.00 0.00 C ATOM 1086 C SER B 10 0.114 2.847 -6.361 1.00 0.00 C ATOM 1087 O SER B 10 0.192 3.741 -5.536 1.00 0.00 O ATOM 1088 CB SER B 10 2.041 1.598 -7.447 1.00 0.00 C ATOM 1089 OG SER B 10 1.405 1.895 -8.681 1.00 0.00 O ATOM 0 H SER B 10 0.420 -0.181 -7.289 1.00 0.00 H new ATOM 0 HA SER B 10 1.553 1.646 -5.334 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.830 2.326 -7.256 1.00 0.00 H new ATOM 0 HB3 SER B 10 2.518 0.620 -7.506 1.00 0.00 H new ATOM 0 HG SER B 10 1.096 1.064 -9.098 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.779 2.861 -7.334 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.734 4.005 -7.500 1.00 0.00 C ATOM 1097 C VAL B 11 -2.972 3.809 -6.607 1.00 0.00 C ATOM 1098 O VAL B 11 -3.356 4.707 -5.880 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.115 3.990 -8.996 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -2.898 5.260 -9.343 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -0.841 3.915 -9.861 1.00 0.00 C ATOM 0 H VAL B 11 -0.884 2.118 -8.025 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.295 4.958 -7.205 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.736 3.117 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.165 5.246 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -3.805 5.304 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.282 6.135 -9.136 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.117 3.905 -10.915 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.212 4.782 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.291 3.005 -9.621 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.589 2.639 -6.655 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.804 2.364 -5.808 1.00 0.00 C ATOM 1113 C ALA B 12 -4.460 2.439 -4.328 1.00 0.00 C ATOM 1114 O ALA B 12 -5.128 3.101 -3.561 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.258 0.941 -6.167 1.00 0.00 C ATOM 0 H ALA B 12 -3.299 1.862 -7.248 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.586 3.100 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.141 0.682 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.500 0.893 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.456 0.237 -5.945 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.415 1.766 -3.945 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.977 1.741 -2.531 1.00 0.00 C ATOM 1123 C GLY B 13 -2.575 3.122 -2.048 1.00 0.00 C ATOM 1124 O GLY B 13 -3.060 3.572 -1.033 1.00 0.00 O ATOM 0 H GLY B 13 -2.831 1.217 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.783 1.356 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.135 1.057 -2.422 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.669 3.780 -2.744 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.202 5.126 -2.273 1.00 0.00 C ATOM 1130 C ARG B 14 -2.351 6.156 -2.204 1.00 0.00 C ATOM 1131 O ARG B 14 -2.396 6.952 -1.282 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.114 5.575 -3.243 1.00 0.00 C ATOM 1133 CG ARG B 14 0.678 6.719 -2.606 1.00 0.00 C ATOM 1134 CD ARG B 14 1.440 6.210 -1.381 1.00 0.00 C ATOM 1135 NE ARG B 14 2.836 6.724 -1.517 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.144 7.934 -1.120 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.079 8.936 -1.964 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.524 8.138 0.118 1.00 0.00 N ATOM 0 H ARG B 14 -1.239 3.446 -3.607 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.818 5.054 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.549 4.742 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.559 5.902 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.376 7.137 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.002 7.523 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.981 6.569 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.428 5.121 -1.340 1.00 0.00 H new ATOM 0 HE ARG B 14 3.557 6.127 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.789 8.773 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.319 9.878 -1.656 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.579 7.356 0.770 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.764 9.079 0.429 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.287 6.140 -3.138 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.441 7.112 -3.064 1.00 0.00 C ATOM 1154 C GLU B 15 -5.279 6.792 -1.812 1.00 0.00 C ATOM 1155 O GLU B 15 -5.647 7.677 -1.065 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.262 6.904 -4.341 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.558 7.555 -5.544 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.490 9.078 -5.361 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.542 9.700 -5.273 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.388 9.598 -5.305 1.00 0.00 O ATOM 0 H GLU B 15 -3.303 5.506 -3.937 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.109 8.148 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.397 5.838 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.255 7.335 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.552 7.149 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.095 7.316 -6.462 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.512 5.515 -1.561 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.256 5.067 -0.329 1.00 0.00 C ATOM 1169 C ILE B 16 -5.400 5.386 0.930 1.00 0.00 C ATOM 1170 O ILE B 16 -5.926 5.627 1.999 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.472 3.548 -0.536 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.500 3.353 -1.663 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.001 2.885 0.740 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.343 1.984 -2.324 1.00 0.00 C ATOM 0 H ILE B 16 -5.212 4.753 -2.170 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.210 5.572 -0.180 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.517 3.088 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.508 3.452 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.377 4.137 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.143 1.819 0.564 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.284 3.027 1.548 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.953 3.337 1.017 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.083 1.876 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.342 1.897 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.491 1.201 -1.580 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.085 5.410 0.776 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.144 5.735 1.905 1.00 0.00 C ATOM 1188 C VAL B 17 -3.224 7.226 2.286 1.00 0.00 C ATOM 1189 O VAL B 17 -3.050 7.570 3.442 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.727 5.406 1.351 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.614 6.158 2.096 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.461 3.920 1.463 1.00 0.00 C ATOM 0 H VAL B 17 -3.618 5.212 -0.109 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.388 5.169 2.804 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.716 5.726 0.309 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.353 5.892 1.670 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.771 7.232 1.997 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.633 5.884 3.151 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.468 3.698 1.073 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.516 3.618 2.509 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.207 3.372 0.887 1.00 0.00 H new ATOM 1202 N THR B 18 -3.405 8.115 1.322 1.00 0.00 N ATOM 1203 CA THR B 18 -3.395 9.574 1.658 1.00 0.00 C ATOM 1204 C THR B 18 -4.552 10.397 1.035 1.00 0.00 C ATOM 1205 O THR B 18 -4.369 11.584 0.796 1.00 0.00 O ATOM 1206 CB THR B 18 -2.012 10.054 1.154 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.746 11.361 1.647 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.959 10.063 -0.385 1.00 0.00 C ATOM 0 H THR B 18 -3.556 7.892 0.338 1.00 0.00 H new ATOM 0 HA THR B 18 -3.553 9.724 2.726 1.00 0.00 H new ATOM 0 HB THR B 18 -1.255 9.361 1.523 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.538 11.925 1.523 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.977 10.404 -0.713 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.138 9.056 -0.761 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.725 10.736 -0.771 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.744 9.841 0.805 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.843 10.723 0.249 1.00 0.00 C ATOM 1218 C LEU B 19 -7.151 11.861 1.277 1.00 0.00 C ATOM 1219 O LEU B 19 -6.833 11.732 2.449 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.055 9.831 -0.078 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.446 8.935 1.091 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.949 9.023 1.278 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.057 7.484 0.784 1.00 0.00 C ATOM 0 H LEU B 19 -5.990 8.865 0.970 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.548 11.218 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.903 10.460 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.825 9.213 -0.946 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.931 9.257 1.996 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.250 8.388 2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.230 10.055 1.489 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.449 8.689 0.369 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.338 6.847 1.622 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.575 7.151 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.980 7.422 0.626 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.648 12.979 0.772 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.856 14.219 1.608 1.00 0.00 C ATOM 1237 C PRO B 20 -8.785 14.104 2.840 1.00 0.00 C ATOM 1238 O PRO B 20 -8.661 14.921 3.737 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.409 15.232 0.600 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.996 14.400 -0.486 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.094 13.206 -0.614 1.00 0.00 C ATOM 0 HA PRO B 20 -6.913 14.488 2.084 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.161 15.875 1.057 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.622 15.883 0.219 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.014 14.097 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.045 14.956 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.623 12.341 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.255 13.403 -1.281 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.708 13.166 2.912 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.623 13.122 4.122 1.00 0.00 C ATOM 1251 C ASN B 21 -10.631 11.757 4.844 1.00 0.00 C ATOM 1252 O ASN B 21 -11.568 11.471 5.574 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.026 13.409 3.579 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.151 14.821 2.990 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.377 15.709 3.292 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.127 15.066 2.164 1.00 0.00 N ATOM 0 H ASN B 21 -9.870 12.444 2.210 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.279 13.844 4.862 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.272 12.675 2.811 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.754 13.288 4.381 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.241 16.001 1.772 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.778 14.323 1.909 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.631 10.917 4.670 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.651 9.591 5.377 1.00 0.00 C ATOM 1265 C LEU B 22 -8.750 9.595 6.611 1.00 0.00 C ATOM 1266 O LEU B 22 -7.798 10.355 6.710 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.127 8.564 4.386 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.723 7.180 4.678 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.018 6.990 3.885 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.710 6.105 4.275 1.00 0.00 C ATOM 0 H LEU B 22 -8.817 11.088 4.080 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.663 9.367 5.713 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.380 8.868 3.370 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.039 8.517 4.443 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.946 7.097 5.742 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.434 6.005 4.098 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.737 7.758 4.172 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.807 7.072 2.819 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.126 5.118 4.479 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.490 6.193 3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.792 6.237 4.847 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.039 8.709 7.524 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.205 8.574 8.772 1.00 0.00 C ATOM 1284 C ASN B 23 -7.259 7.355 8.652 1.00 0.00 C ATOM 1285 O ASN B 23 -7.449 6.498 7.805 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.198 8.454 9.957 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.078 7.189 9.875 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.811 6.280 9.125 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.132 7.095 10.640 1.00 0.00 N ATOM 0 H ASN B 23 -9.825 8.061 7.466 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.557 9.436 8.929 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.640 8.442 10.893 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.839 9.336 9.979 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.719 6.261 10.600 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.369 7.855 11.278 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.220 7.299 9.468 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.216 6.172 9.386 1.00 0.00 C ATOM 1298 C ASP B 24 -5.803 4.734 9.541 1.00 0.00 C ATOM 1299 O ASP B 24 -5.300 3.844 8.878 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.117 6.470 10.438 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.659 6.409 11.873 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.167 7.416 12.338 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.541 5.358 12.486 1.00 0.00 O ATOM 0 H ASP B 24 -6.023 7.990 10.192 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.813 6.152 8.374 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.305 5.751 10.327 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.696 7.458 10.252 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.814 4.505 10.389 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.357 3.115 10.539 1.00 0.00 C ATOM 1310 C PRO B 25 -8.116 2.641 9.278 1.00 0.00 C ATOM 1311 O PRO B 25 -8.005 1.484 8.904 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.298 3.217 11.738 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.699 4.651 11.794 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.537 5.451 11.268 1.00 0.00 C ATOM 0 HA PRO B 25 -6.562 2.382 10.678 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.166 2.569 11.615 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.800 2.910 12.658 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.592 4.826 11.193 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.939 4.945 12.816 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.875 6.329 10.717 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.901 5.809 12.077 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.885 3.507 8.618 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.636 3.064 7.389 1.00 0.00 C ATOM 1324 C GLN B 26 -8.658 2.677 6.281 1.00 0.00 C ATOM 1325 O GLN B 26 -8.742 1.582 5.771 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.512 4.247 6.970 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.663 4.394 7.974 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.429 5.703 7.743 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.084 6.497 6.889 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.457 5.967 8.495 1.00 0.00 N ATOM 0 H GLN B 26 -9.018 4.484 8.879 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.248 2.184 7.587 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.920 5.162 6.939 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.906 4.088 5.966 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.344 3.548 7.879 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.269 4.373 8.990 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.748 5.303 9.212 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.972 6.838 8.368 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.713 3.546 5.938 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.694 3.195 4.872 1.00 0.00 C ATOM 1341 C LYS B 27 -5.941 1.923 5.243 1.00 0.00 C ATOM 1342 O LYS B 27 -5.605 1.138 4.387 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.686 4.349 4.737 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.228 4.931 6.086 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.592 6.304 5.844 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.668 7.336 5.462 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.262 8.611 6.128 1.00 0.00 N ATOM 0 H LYS B 27 -7.605 4.474 6.347 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.218 3.034 3.930 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.813 3.995 4.189 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.135 5.144 4.142 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.076 5.023 6.764 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.511 4.262 6.561 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.068 6.632 6.742 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.850 6.233 5.049 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.725 7.460 4.381 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.654 7.016 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.081 9.249 6.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.915 8.407 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.507 9.066 5.576 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.676 1.725 6.513 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.952 0.495 6.964 1.00 0.00 C ATOM 1363 C LYS B 28 -5.740 -0.755 6.541 1.00 0.00 C ATOM 1364 O LYS B 28 -5.258 -1.546 5.758 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.886 0.603 8.498 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.438 0.716 8.939 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.863 -0.689 9.112 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.390 -0.717 8.693 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.630 -0.011 9.772 1.00 0.00 N ATOM 0 H LYS B 28 -5.933 2.369 7.262 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.957 0.413 6.526 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.448 1.473 8.836 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.348 -0.272 8.954 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.861 1.271 8.200 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.371 1.269 9.876 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.958 -1.003 10.152 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.432 -1.399 8.512 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.039 -1.742 8.578 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.250 -0.222 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.208 0.858 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.276 0.233 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 0.123 -0.633 10.130 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.966 -0.911 7.019 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.805 -2.093 6.602 1.00 0.00 C ATOM 1385 C ALA B 29 -8.049 -2.051 5.079 1.00 0.00 C ATOM 1386 O ALA B 29 -8.139 -3.075 4.431 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.129 -1.947 7.363 1.00 0.00 C ATOM 0 H ALA B 29 -7.416 -0.273 7.676 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.318 -3.042 6.827 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.789 -2.775 7.107 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.935 -1.956 8.436 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.605 -1.006 7.088 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.135 -0.854 4.520 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.350 -0.677 3.043 1.00 0.00 C ATOM 1395 C PHE B 30 -7.178 -1.237 2.247 1.00 0.00 C ATOM 1396 O PHE B 30 -7.357 -2.008 1.328 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.402 0.841 2.830 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.736 1.248 2.304 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.019 1.050 0.961 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.683 1.826 3.154 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.260 1.426 0.455 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.924 2.208 2.650 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.214 2.006 1.300 1.00 0.00 C ATOM 0 H PHE B 30 -8.063 0.021 5.040 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.251 -1.194 2.713 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.204 1.353 3.771 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.621 1.143 2.132 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.280 0.606 0.311 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.453 1.976 4.199 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.487 1.270 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.659 2.659 3.301 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.176 2.298 0.906 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.981 -0.843 2.597 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.776 -1.342 1.882 1.00 0.00 C ATOM 1415 C ILE B 31 -4.625 -2.836 2.150 1.00 0.00 C ATOM 1416 O ILE B 31 -4.309 -3.595 1.260 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.601 -0.561 2.476 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.544 0.825 1.805 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.270 -1.332 2.284 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.114 1.248 1.591 1.00 0.00 C ATOM 0 H ILE B 31 -5.788 -0.190 3.356 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.834 -1.204 0.802 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.746 -0.439 3.549 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.068 0.795 0.849 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.057 1.558 2.427 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.451 -0.756 2.714 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.335 -2.299 2.782 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.087 -1.483 1.220 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.092 2.229 1.116 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.602 1.298 2.552 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.612 0.523 0.950 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.853 -3.251 3.379 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.736 -4.694 3.719 1.00 0.00 C ATOM 1434 C PHE B 32 -5.780 -5.492 2.895 1.00 0.00 C ATOM 1435 O PHE B 32 -5.491 -6.591 2.466 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.915 -4.779 5.253 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.569 -4.490 5.943 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.898 -3.233 5.770 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.957 -5.484 6.763 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.678 -3.016 6.388 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.736 -5.225 7.366 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.104 -4.009 7.176 1.00 0.00 C ATOM 0 H PHE B 32 -5.115 -2.644 4.156 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.774 -5.138 3.462 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.666 -4.061 5.583 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.275 -5.769 5.534 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.343 -2.460 5.161 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.444 -6.436 6.914 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.170 -2.072 6.258 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.275 -5.978 7.988 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.149 -3.827 7.647 1.00 0.00 H new ATOM 1452 N SER B 33 -6.950 -4.918 2.581 1.00 0.00 N ATOM 1453 CA SER B 33 -7.919 -5.651 1.686 1.00 0.00 C ATOM 1454 C SER B 33 -7.468 -5.474 0.208 1.00 0.00 C ATOM 1455 O SER B 33 -7.618 -6.373 -0.596 1.00 0.00 O ATOM 1456 CB SER B 33 -9.313 -5.056 1.946 1.00 0.00 C ATOM 1457 OG SER B 33 -9.354 -3.696 1.557 1.00 0.00 O ATOM 0 H SER B 33 -7.258 -4.000 2.902 1.00 0.00 H new ATOM 0 HA SER B 33 -7.947 -6.721 1.890 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.064 -5.621 1.394 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.561 -5.145 3.004 1.00 0.00 H new ATOM 0 HG SER B 33 -8.467 -3.296 1.673 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.864 -4.330 -0.125 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.324 -4.078 -1.520 1.00 0.00 C ATOM 1465 C LEU B 34 -5.188 -5.077 -1.807 1.00 0.00 C ATOM 1466 O LEU B 34 -5.099 -5.631 -2.889 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.809 -2.612 -1.477 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.002 -2.229 -2.718 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.934 -1.994 -3.913 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.224 -0.935 -2.437 1.00 0.00 C ATOM 0 H LEU B 34 -6.724 -3.555 0.523 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.064 -4.211 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.659 -1.936 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.190 -2.475 -0.590 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.316 -3.042 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.343 -1.722 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.494 -2.905 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.629 -1.187 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.647 -0.658 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.924 -0.135 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.548 -1.092 -1.596 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.341 -5.319 -0.825 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.219 -6.295 -0.981 1.00 0.00 C ATOM 1484 C TRP B 35 -3.758 -7.735 -1.107 1.00 0.00 C ATOM 1485 O TRP B 35 -3.288 -8.506 -1.926 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.396 -6.177 0.300 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.173 -7.005 0.132 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.920 -8.169 0.765 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.055 -6.764 -0.751 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.291 -8.653 0.326 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.869 -7.814 -0.602 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.244 -5.737 -1.652 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.052 -7.840 -1.325 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.433 -5.760 -2.378 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.333 -6.805 -2.214 1.00 0.00 C ATOM 0 H TRP B 35 -4.386 -4.871 0.090 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.636 -6.083 -1.877 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.130 -5.137 0.489 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.974 -6.519 1.158 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.561 -8.642 1.494 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.710 -9.526 0.648 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.451 -4.921 -1.786 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.749 -8.655 -1.200 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.656 -4.962 -3.071 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.254 -6.815 -2.778 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.727 -8.093 -0.280 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.303 -9.476 -0.308 1.00 0.00 C ATOM 1508 C ASP B 36 -6.124 -9.690 -1.575 1.00 0.00 C ATOM 1509 O ASP B 36 -6.007 -10.717 -2.222 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.205 -9.573 0.934 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.392 -11.042 1.325 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.582 -11.536 2.094 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.335 -11.648 0.846 1.00 0.00 O ATOM 0 H ASP B 36 -5.142 -7.475 0.417 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.521 -10.236 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.761 -9.020 1.762 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.173 -9.116 0.729 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.958 -8.731 -1.929 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.794 -8.880 -3.147 1.00 0.00 C ATOM 1520 C ASP B 37 -7.719 -7.612 -4.017 1.00 0.00 C ATOM 1521 O ASP B 37 -8.654 -6.822 -4.039 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.244 -9.136 -2.663 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.276 -10.172 -1.526 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.120 -11.348 -1.814 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.456 -9.767 -0.389 1.00 0.00 O ATOM 0 H ASP B 37 -7.087 -7.857 -1.420 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.442 -9.706 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.686 -8.201 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.852 -9.488 -3.497 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.622 -7.467 -4.752 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.470 -6.305 -5.675 1.00 0.00 C ATOM 1532 C PRO B 38 -7.488 -6.359 -6.835 1.00 0.00 C ATOM 1533 O PRO B 38 -7.592 -5.417 -7.590 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.046 -6.414 -6.179 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.707 -7.860 -6.026 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.431 -8.333 -4.796 1.00 0.00 C ATOM 0 HA PRO B 38 -6.662 -5.355 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.967 -6.095 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.370 -5.784 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.018 -8.428 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.631 -7.999 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.702 -9.386 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.819 -8.222 -3.901 1.00 0.00 H new ATOM 1544 N SER B 39 -8.283 -7.420 -6.957 1.00 0.00 N ATOM 1545 CA SER B 39 -9.339 -7.452 -8.030 1.00 0.00 C ATOM 1546 C SER B 39 -10.291 -6.263 -7.781 1.00 0.00 C ATOM 1547 O SER B 39 -10.764 -5.625 -8.704 1.00 0.00 O ATOM 1548 CB SER B 39 -10.076 -8.784 -7.854 1.00 0.00 C ATOM 1549 OG SER B 39 -10.350 -9.346 -9.132 1.00 0.00 O ATOM 0 H SER B 39 -8.241 -8.249 -6.365 1.00 0.00 H new ATOM 0 HA SER B 39 -8.934 -7.373 -9.039 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.470 -9.472 -7.264 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.005 -8.628 -7.306 1.00 0.00 H new ATOM 0 HG SER B 39 -10.820 -10.199 -9.020 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.513 -5.942 -6.508 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.367 -4.764 -6.127 1.00 0.00 C ATOM 1557 C GLN B 40 -10.485 -3.497 -5.967 1.00 0.00 C ATOM 1558 O GLN B 40 -10.920 -2.541 -5.379 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.992 -5.083 -4.743 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.421 -6.552 -4.594 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.354 -6.985 -5.736 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.239 -6.251 -6.133 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.191 -8.162 -6.273 1.00 0.00 N ATOM 0 H GLN B 40 -10.130 -6.458 -5.716 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.123 -4.586 -6.892 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.271 -4.841 -3.962 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.859 -4.441 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.538 -7.191 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.926 -6.689 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.448 -8.776 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.806 -8.468 -7.027 1.00 0.00 H new ATOM 1572 N SER B 41 -9.244 -3.500 -6.446 1.00 0.00 N ATOM 1573 CA SER B 41 -8.320 -2.312 -6.281 1.00 0.00 C ATOM 1574 C SER B 41 -8.938 -1.019 -6.834 1.00 0.00 C ATOM 1575 O SER B 41 -8.910 0.005 -6.172 1.00 0.00 O ATOM 1576 CB SER B 41 -7.078 -2.683 -7.068 1.00 0.00 C ATOM 1577 OG SER B 41 -6.136 -1.621 -7.036 1.00 0.00 O ATOM 0 H SER B 41 -8.832 -4.286 -6.949 1.00 0.00 H new ATOM 0 HA SER B 41 -8.114 -2.112 -5.229 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.632 -3.586 -6.651 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.347 -2.908 -8.100 1.00 0.00 H new ATOM 0 HG SER B 41 -5.339 -1.875 -7.547 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.519 -1.064 -8.025 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.172 0.166 -8.595 1.00 0.00 C ATOM 1585 C ALA B 42 -11.342 0.560 -7.680 1.00 0.00 C ATOM 1586 O ALA B 42 -11.502 1.716 -7.330 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.673 -0.230 -9.990 1.00 0.00 C ATOM 0 H ALA B 42 -9.566 -1.893 -8.617 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.493 1.016 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.160 0.626 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.830 -0.548 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.386 -1.049 -9.901 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.124 -0.423 -7.254 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.252 -0.161 -6.316 1.00 0.00 C ATOM 1595 C ASN B 43 -12.714 0.301 -4.945 1.00 0.00 C ATOM 1596 O ASN B 43 -13.358 1.070 -4.274 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.000 -1.494 -6.180 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.310 -1.277 -5.415 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.295 -0.849 -5.985 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.358 -1.539 -4.137 1.00 0.00 N ATOM 0 H ASN B 43 -12.016 -1.400 -7.527 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.907 0.629 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.208 -1.907 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.378 -2.219 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.222 -1.385 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.532 -1.898 -3.659 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.541 -0.173 -4.534 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.956 0.234 -3.207 1.00 0.00 C ATOM 1609 C LEU B 44 -10.585 1.710 -3.226 1.00 0.00 C ATOM 1610 O LEU B 44 -10.976 2.465 -2.365 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.710 -0.645 -3.036 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.081 -1.891 -2.241 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.267 -3.089 -2.740 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.784 -1.623 -0.764 1.00 0.00 C ATOM 0 H LEU B 44 -10.968 -0.826 -5.068 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.658 0.101 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.312 -0.926 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.927 -0.090 -2.520 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.139 -2.121 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.537 -3.976 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.480 -3.259 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.204 -2.885 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.043 -2.503 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.724 -1.402 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.374 -0.772 -0.423 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.857 2.110 -4.228 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.460 3.551 -4.384 1.00 0.00 C ATOM 1628 C LEU B 45 -10.732 4.423 -4.400 1.00 0.00 C ATOM 1629 O LEU B 45 -10.798 5.448 -3.741 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.730 3.629 -5.736 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.558 4.608 -5.646 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -6.918 4.761 -7.025 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.056 5.970 -5.156 1.00 0.00 C ATOM 0 H LEU B 45 -9.510 1.494 -4.963 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.825 3.905 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.367 2.641 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.423 3.950 -6.514 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.820 4.224 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.083 5.458 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.557 3.792 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.658 5.142 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.217 6.663 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.797 6.359 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.509 5.859 -4.171 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.748 3.977 -5.117 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.052 4.716 -5.160 1.00 0.00 C ATOM 1647 C ALA B 46 -13.709 4.667 -3.771 1.00 0.00 C ATOM 1648 O ALA B 46 -14.166 5.673 -3.265 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.898 3.948 -6.169 1.00 0.00 C ATOM 0 H ALA B 46 -11.724 3.125 -5.677 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.937 5.764 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.874 4.424 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.399 3.950 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.026 2.920 -5.829 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.725 3.492 -3.157 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.313 3.319 -1.788 1.00 0.00 C ATOM 1657 C GLU B 47 -13.572 4.212 -0.782 1.00 0.00 C ATOM 1658 O GLU B 47 -14.167 4.735 0.141 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.110 1.833 -1.437 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.087 1.422 -0.327 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.521 1.402 -0.875 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.815 0.542 -1.695 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.298 2.254 -0.476 1.00 0.00 O ATOM 0 H GLU B 47 -13.346 2.636 -3.562 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.366 3.599 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.270 1.216 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.084 1.664 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.821 0.437 0.057 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.017 2.119 0.508 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.276 4.400 -0.980 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.469 5.279 -0.070 1.00 0.00 C ATOM 1672 C ALA B 48 -11.999 6.714 -0.188 1.00 0.00 C ATOM 1673 O ALA B 48 -12.306 7.346 0.805 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.013 5.172 -0.573 1.00 0.00 C ATOM 0 H ALA B 48 -11.745 3.976 -1.741 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.531 4.988 0.979 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.367 5.792 0.049 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.684 4.134 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.959 5.515 -1.606 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.157 7.203 -1.410 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.718 8.583 -1.630 1.00 0.00 C ATOM 1682 C LYS B 49 -14.178 8.633 -1.143 1.00 0.00 C ATOM 1683 O LYS B 49 -14.580 9.569 -0.487 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.640 8.827 -3.144 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.170 8.863 -3.587 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.078 9.220 -5.074 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.637 9.012 -5.568 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.890 10.256 -5.207 1.00 0.00 N ATOM 0 H LYS B 49 -11.919 6.699 -2.264 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.166 9.345 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.171 8.039 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.129 9.768 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.621 9.595 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.704 7.894 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.764 8.599 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.380 10.256 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.187 8.137 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.615 8.843 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.868 10.067 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.120 11.009 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.162 10.559 -4.250 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.965 7.610 -1.436 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.400 7.574 -0.963 1.00 0.00 C ATOM 1704 C LYS B 50 -16.445 7.643 0.578 1.00 0.00 C ATOM 1705 O LYS B 50 -17.238 8.372 1.144 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.966 6.233 -1.458 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.216 6.298 -2.973 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.224 4.880 -3.567 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.448 4.098 -3.071 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.258 2.704 -3.575 1.00 0.00 N ATOM 0 H LYS B 50 -14.675 6.799 -1.982 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.978 8.416 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.268 5.427 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.896 6.006 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.168 6.790 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.442 6.897 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.237 4.935 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.311 4.356 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.512 4.117 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.372 4.531 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.321 2.036 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.997 2.483 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.323 2.621 -4.023 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.569 6.908 1.241 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.506 6.934 2.743 1.00 0.00 C ATOM 1726 C LEU B 51 -14.987 8.301 3.232 1.00 0.00 C ATOM 1727 O LEU B 51 -15.458 8.815 4.233 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.560 5.780 3.125 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.335 5.723 4.650 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.675 5.748 5.401 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.593 4.428 4.992 1.00 0.00 C ATOM 0 H LEU B 51 -14.891 6.287 0.799 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.483 6.805 3.209 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.979 4.834 2.781 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.603 5.908 2.618 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.750 6.592 4.953 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.491 5.707 6.475 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.210 6.666 5.159 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.275 4.889 5.103 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.428 4.377 6.068 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.189 3.572 4.675 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.633 4.412 4.477 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.040 8.902 2.518 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.513 10.254 2.915 1.00 0.00 C ATOM 1745 C ASN B 52 -14.670 11.275 2.964 1.00 0.00 C ATOM 1746 O ASN B 52 -14.654 12.195 3.756 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.428 10.590 1.840 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.799 11.703 0.813 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.926 11.903 0.438 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.853 12.428 0.301 1.00 0.00 N ATOM 0 H ASN B 52 -13.615 8.507 1.679 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.073 10.278 3.912 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.516 10.890 2.356 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.198 9.678 1.289 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.076 13.139 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.886 12.287 0.595 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.665 11.107 2.103 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.819 12.053 2.060 1.00 0.00 C ATOM 1759 C ASP B 53 -17.667 11.955 3.338 1.00 0.00 C ATOM 1760 O ASP B 53 -18.203 12.946 3.805 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.651 11.630 0.842 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.631 12.747 0.468 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.232 13.639 -0.263 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.764 12.690 0.916 1.00 0.00 O ATOM 0 H ASP B 53 -15.716 10.344 1.428 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.478 13.086 1.989 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.994 11.413 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.198 10.714 1.064 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.788 10.762 3.903 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.599 10.582 5.156 1.00 0.00 C ATOM 1771 C ALA B 54 -17.969 11.358 6.326 1.00 0.00 C ATOM 1772 O ALA B 54 -18.667 11.894 7.169 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.575 9.074 5.423 1.00 0.00 C ATOM 0 H ALA B 54 -17.358 9.909 3.546 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.615 10.962 5.049 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.147 8.855 6.325 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.016 8.548 4.577 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.545 8.745 5.558 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.654 11.428 6.363 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.938 12.174 7.448 1.00 0.00 C ATOM 1781 C GLN B 55 -15.815 13.666 7.087 1.00 0.00 C ATOM 1782 O GLN B 55 -15.876 14.521 7.952 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.560 11.504 7.512 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.693 10.123 8.164 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.389 9.358 7.981 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.791 8.908 8.937 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.915 9.200 6.782 1.00 0.00 N ATOM 0 H GLN B 55 -16.040 10.992 5.675 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.460 12.138 8.404 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.145 11.406 6.509 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.869 12.123 8.084 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.922 10.228 9.225 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.519 9.572 7.713 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.419 9.579 5.980 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.039 8.697 6.642 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.626 13.974 5.814 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.476 15.400 5.371 1.00 0.00 C ATOM 1798 C ALA B 56 -15.961 15.576 3.917 1.00 0.00 C ATOM 1799 O ALA B 56 -15.917 14.641 3.152 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.976 15.646 5.450 1.00 0.00 C ATOM 0 H ALA B 56 -15.570 13.288 5.061 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.060 16.090 5.980 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.758 16.669 5.144 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.636 15.494 6.474 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.458 14.951 4.789 1.00 0.00 H new