USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 :FLIP amide:sc= -0.71 F(o=-7.6,f=-5.1) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.36! C(o=-5.1!,f=-13!) USER MOD Set 2.1: B 39 SER OG : rot -107:sc= 0.402 USER MOD Set 2.2: B 40 GLN :FLIP amide:sc= -0.487 F(o=-0.95,f=-0.085) USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -0.839 F(o=-15!,f=-2.3) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.46 X(o=-2.8!,f=-2.3) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -118:sc= 0.909 (180deg=-0.222) USER MOD Set 4.2: B 23 ASN : amide:sc= -8.85! C(o=-5.8!,f=-15!) USER MOD Set 4.3: B 24 SER OG : rot -115:sc= 2.09 USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.53 F(o=-11,f=-10) USER MOD Set 5.2: A 52 ASN : amide:sc= -8.84! C(o=-10!,f=-18!) USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.404 F(o=-7.9!,f=-2.3) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -1.95! C(o=-6.2!,f=-2.3!) USER MOD Set 7.1: A 13 THR OG1 : rot 114:sc= -2.88 USER MOD Set 7.2: B 17 MET CE :methyl -117:sc= -12.2! (180deg=-12!) USER MOD Single : A 4 LYS NZ :NH3+ -114:sc= 0.0286 (180deg=-3.16!) USER MOD Single : A 6 ASN : amide:sc= -4.1 K(o=-4.1,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -1.06 (180deg=-2.63!) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.79 F(o=-5.2!,f=-2.8) USER MOD Single : A 23 ASN : amide:sc= -0.886 K(o=-0.89,f=-11!) USER MOD Single : A 33 SER OG : rot 74:sc= 0.788 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 41 SER OG : rot -93:sc= 0.707 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= -1.46 (180deg=-1.53) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.987) USER MOD Single : B 6 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.084) USER MOD Single : B 7 LYS NZ :NH3+ -177:sc= 0.794 (180deg=0.788) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.27! C(o=-4!,f=-3.3!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 123:sc= -3.57! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 148:sc= 0.901 (180deg=-1.02!) USER MOD Single : B 50 LYS NZ :NH3+ -174:sc= 1.05 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.391 -10.693 7.015 1.00 0.00 N ATOM 46 CA LYS A 4 5.670 -9.841 7.966 1.00 0.00 C ATOM 47 C LYS A 4 5.834 -8.370 7.581 1.00 0.00 C ATOM 48 O LYS A 4 4.863 -7.617 7.567 1.00 0.00 O ATOM 49 CB LYS A 4 6.201 -10.072 9.390 1.00 0.00 C ATOM 50 CG LYS A 4 5.365 -9.283 10.408 1.00 0.00 C ATOM 51 CD LYS A 4 4.050 -10.025 10.677 1.00 0.00 C ATOM 52 CE LYS A 4 3.244 -9.289 11.753 1.00 0.00 C ATOM 53 NZ LYS A 4 2.623 -8.069 11.163 1.00 0.00 N ATOM 0 HA LYS A 4 4.611 -10.099 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.168 -11.135 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.245 -9.764 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.923 -9.162 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.159 -8.283 10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.467 -10.094 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.258 -11.045 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.472 -9.944 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.893 -9.014 12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.041 -7.222 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.795 -8.053 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.599 -8.080 11.342 1.00 0.00 H new ATOM 67 N PHE A 5 7.066 -7.980 7.248 1.00 0.00 N ATOM 68 CA PHE A 5 7.352 -6.614 6.842 1.00 0.00 C ATOM 69 C PHE A 5 6.557 -6.270 5.585 1.00 0.00 C ATOM 70 O PHE A 5 6.045 -5.169 5.464 1.00 0.00 O ATOM 71 CB PHE A 5 8.862 -6.430 6.599 1.00 0.00 C ATOM 72 CG PHE A 5 9.260 -7.017 5.258 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.420 -8.400 5.118 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.458 -6.174 4.154 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.777 -8.942 3.879 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.814 -6.717 2.916 1.00 0.00 C ATOM 77 CZ PHE A 5 9.974 -8.101 2.778 1.00 0.00 C ATOM 0 H PHE A 5 7.879 -8.596 7.253 1.00 0.00 H new ATOM 0 HA PHE A 5 7.053 -5.936 7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.114 -5.370 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.426 -6.914 7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.268 -9.049 5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.335 -5.106 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.901 -10.010 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.966 -6.069 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.250 -8.520 1.821 1.00 0.00 H new ATOM 87 N ASN A 6 6.455 -7.235 4.660 1.00 0.00 N ATOM 88 CA ASN A 6 5.701 -7.042 3.426 1.00 0.00 C ATOM 89 C ASN A 6 4.226 -6.876 3.746 1.00 0.00 C ATOM 90 O ASN A 6 3.551 -5.994 3.218 1.00 0.00 O ATOM 91 CB ASN A 6 5.872 -8.268 2.533 1.00 0.00 C ATOM 92 CG ASN A 6 5.324 -8.019 1.138 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.005 -6.893 0.781 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.184 -9.027 0.332 1.00 0.00 N ATOM 0 H ASN A 6 6.887 -8.155 4.749 1.00 0.00 H new ATOM 0 HA ASN A 6 6.070 -6.151 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.928 -8.529 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.360 -9.120 2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.806 -8.883 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.452 -9.963 0.635 1.00 0.00 H new ATOM 101 N LYS A 7 3.750 -7.737 4.643 1.00 0.00 N ATOM 102 CA LYS A 7 2.371 -7.711 5.077 1.00 0.00 C ATOM 103 C LYS A 7 2.104 -6.359 5.710 1.00 0.00 C ATOM 104 O LYS A 7 1.090 -5.717 5.457 1.00 0.00 O ATOM 105 CB LYS A 7 2.154 -8.850 6.094 1.00 0.00 C ATOM 106 CG LYS A 7 0.664 -9.015 6.421 1.00 0.00 C ATOM 107 CD LYS A 7 0.428 -10.348 7.147 1.00 0.00 C ATOM 108 CE LYS A 7 0.190 -11.477 6.127 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.251 -12.703 6.849 1.00 0.00 N ATOM 0 H LYS A 7 4.313 -8.465 5.082 1.00 0.00 H new ATOM 0 HA LYS A 7 1.686 -7.856 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.547 -9.783 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.710 -8.638 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.327 -8.187 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.076 -8.983 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.289 -10.588 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.432 -10.261 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.566 -11.175 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.104 -11.678 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.017 -13.545 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.205 -12.739 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.284 -12.683 6.969 1.00 0.00 H new ATOM 123 N GLU A 8 3.056 -5.931 6.519 1.00 0.00 N ATOM 124 CA GLU A 8 2.961 -4.652 7.191 1.00 0.00 C ATOM 125 C GLU A 8 3.180 -3.488 6.222 1.00 0.00 C ATOM 126 O GLU A 8 2.521 -2.462 6.322 1.00 0.00 O ATOM 127 CB GLU A 8 3.974 -4.605 8.333 1.00 0.00 C ATOM 128 CG GLU A 8 3.536 -5.567 9.451 1.00 0.00 C ATOM 129 CD GLU A 8 4.636 -5.713 10.512 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.801 -5.757 10.142 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.294 -5.790 11.680 1.00 0.00 O ATOM 0 H GLU A 8 3.907 -6.454 6.726 1.00 0.00 H new ATOM 0 HA GLU A 8 1.954 -4.546 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.963 -4.882 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.051 -3.590 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.623 -5.197 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.304 -6.543 9.026 1.00 0.00 H new ATOM 138 N LEU A 9 4.087 -3.681 5.273 1.00 0.00 N ATOM 139 CA LEU A 9 4.377 -2.670 4.246 1.00 0.00 C ATOM 140 C LEU A 9 3.105 -2.400 3.484 1.00 0.00 C ATOM 141 O LEU A 9 2.766 -1.254 3.206 1.00 0.00 O ATOM 142 CB LEU A 9 5.478 -3.194 3.304 1.00 0.00 C ATOM 143 CG LEU A 9 5.636 -2.272 2.078 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.421 -1.006 2.412 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.380 -3.007 0.984 1.00 0.00 C ATOM 0 H LEU A 9 4.642 -4.533 5.187 1.00 0.00 H new ATOM 0 HA LEU A 9 4.733 -1.746 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.424 -3.256 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.231 -4.204 2.976 1.00 0.00 H new ATOM 0 HG LEU A 9 4.634 -1.990 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.508 -0.386 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.900 -0.450 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.416 -1.277 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.491 -2.355 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.365 -3.299 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.820 -3.897 0.698 1.00 0.00 H new ATOM 157 N GLY A 10 2.381 -3.463 3.184 1.00 0.00 N ATOM 158 CA GLY A 10 1.140 -3.327 2.496 1.00 0.00 C ATOM 159 C GLY A 10 0.092 -2.754 3.422 1.00 0.00 C ATOM 160 O GLY A 10 -0.734 -1.937 3.026 1.00 0.00 O ATOM 0 H GLY A 10 2.643 -4.422 3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.265 -2.677 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.814 -4.298 2.122 1.00 0.00 H new ATOM 164 N TRP A 11 0.098 -3.215 4.662 1.00 0.00 N ATOM 165 CA TRP A 11 -0.892 -2.745 5.597 1.00 0.00 C ATOM 166 C TRP A 11 -0.714 -1.324 6.012 1.00 0.00 C ATOM 167 O TRP A 11 -1.671 -0.551 5.972 1.00 0.00 O ATOM 168 CB TRP A 11 -1.023 -3.647 6.801 1.00 0.00 C ATOM 169 CG TRP A 11 -2.484 -3.735 7.149 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.951 -3.837 8.394 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.671 -3.699 6.266 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.334 -3.903 8.355 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.821 -3.810 7.068 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.863 -3.591 4.864 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.102 -3.810 6.516 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.133 -3.587 4.306 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.262 -3.694 5.129 1.00 0.00 C ATOM 0 H TRP A 11 0.761 -3.896 5.031 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.829 -2.783 5.042 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.621 -4.637 6.583 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.453 -3.249 7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.348 -3.864 9.289 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.923 -4.008 9.181 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.002 -3.510 4.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.968 -3.899 7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.252 -3.501 3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.251 -3.687 4.696 1.00 0.00 H new ATOM 188 N ALA A 12 0.481 -0.963 6.405 1.00 0.00 N ATOM 189 CA ALA A 12 0.706 0.390 6.809 1.00 0.00 C ATOM 190 C ALA A 12 0.311 1.301 5.646 1.00 0.00 C ATOM 191 O ALA A 12 -0.322 2.328 5.842 1.00 0.00 O ATOM 192 CB ALA A 12 2.165 0.578 7.202 1.00 0.00 C ATOM 0 H ALA A 12 1.294 -1.577 6.452 1.00 0.00 H new ATOM 0 HA ALA A 12 0.103 0.642 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.329 1.611 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.408 -0.089 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.804 0.347 6.350 1.00 0.00 H new ATOM 198 N THR A 13 0.621 0.851 4.424 1.00 0.00 N ATOM 199 CA THR A 13 0.240 1.573 3.212 1.00 0.00 C ATOM 200 C THR A 13 -1.265 1.786 3.188 1.00 0.00 C ATOM 201 O THR A 13 -1.725 2.894 2.947 1.00 0.00 O ATOM 202 CB THR A 13 0.677 0.741 2.010 1.00 0.00 C ATOM 203 OG1 THR A 13 2.074 0.851 1.873 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.009 1.214 0.731 1.00 0.00 C ATOM 0 H THR A 13 1.136 -0.012 4.252 1.00 0.00 H new ATOM 0 HA THR A 13 0.721 2.551 3.184 1.00 0.00 H new ATOM 0 HB THR A 13 0.392 -0.298 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.489 -0.020 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.323 0.602 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.089 1.122 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.249 2.256 0.544 1.00 0.00 H new ATOM 212 N TRP A 14 -2.011 0.715 3.464 1.00 0.00 N ATOM 213 CA TRP A 14 -3.474 0.768 3.488 1.00 0.00 C ATOM 214 C TRP A 14 -3.987 1.652 4.612 1.00 0.00 C ATOM 215 O TRP A 14 -4.890 2.454 4.416 1.00 0.00 O ATOM 216 CB TRP A 14 -4.014 -0.632 3.718 1.00 0.00 C ATOM 217 CG TRP A 14 -5.482 -0.684 3.431 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.453 -0.676 4.373 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.162 -0.773 2.148 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.679 -0.788 3.754 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.552 -0.850 2.385 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.720 -0.805 0.811 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.456 -0.962 1.341 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.626 -0.916 -0.227 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.983 -0.999 0.033 1.00 0.00 C ATOM 0 H TRP A 14 -1.623 -0.205 3.675 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.807 1.178 2.535 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.488 -1.340 3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.828 -0.934 4.749 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.293 -0.595 5.438 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.570 -0.821 4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.664 -0.742 0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.516 -1.020 1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.273 -0.938 -1.247 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.680 -1.093 -0.786 1.00 0.00 H new ATOM 236 N GLU A 15 -3.416 1.477 5.794 1.00 0.00 N ATOM 237 CA GLU A 15 -3.833 2.243 6.959 1.00 0.00 C ATOM 238 C GLU A 15 -3.616 3.733 6.694 1.00 0.00 C ATOM 239 O GLU A 15 -4.461 4.563 7.037 1.00 0.00 O ATOM 240 CB GLU A 15 -3.047 1.754 8.176 1.00 0.00 C ATOM 241 CG GLU A 15 -3.435 0.290 8.469 1.00 0.00 C ATOM 242 CD GLU A 15 -2.467 -0.318 9.483 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.678 -0.120 10.668 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.523 -0.966 9.057 1.00 0.00 O ATOM 0 H GLU A 15 -2.663 0.812 5.972 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.895 2.098 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.976 1.829 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.263 2.381 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.453 0.246 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.419 -0.290 7.546 1.00 0.00 H new ATOM 251 N ILE A 16 -2.512 4.047 6.015 1.00 0.00 N ATOM 252 CA ILE A 16 -2.206 5.423 5.621 1.00 0.00 C ATOM 253 C ILE A 16 -3.191 5.835 4.516 1.00 0.00 C ATOM 254 O ILE A 16 -3.654 6.976 4.456 1.00 0.00 O ATOM 255 CB ILE A 16 -0.750 5.491 5.097 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.229 5.153 6.233 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.422 6.889 4.555 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.662 5.001 5.687 1.00 0.00 C ATOM 0 H ILE A 16 -1.812 3.364 5.725 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.303 6.100 6.470 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.650 4.768 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.203 5.939 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.079 4.229 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.606 6.907 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.099 7.129 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.540 7.625 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.340 4.762 6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.687 4.199 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.974 5.935 5.219 1.00 0.00 H new ATOM 270 N PHE A 17 -3.503 4.858 3.662 1.00 0.00 N ATOM 271 CA PHE A 17 -4.436 5.023 2.543 1.00 0.00 C ATOM 272 C PHE A 17 -5.848 5.316 3.065 1.00 0.00 C ATOM 273 O PHE A 17 -6.602 6.084 2.465 1.00 0.00 O ATOM 274 CB PHE A 17 -4.461 3.702 1.759 1.00 0.00 C ATOM 275 CG PHE A 17 -4.699 3.900 0.284 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.627 4.200 -0.571 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.979 3.708 -0.237 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.843 4.306 -1.944 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.199 3.827 -1.607 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.131 4.120 -2.462 1.00 0.00 C ATOM 0 H PHE A 17 -3.111 3.919 3.728 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.117 5.853 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.514 3.182 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.242 3.059 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.637 4.348 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.800 3.467 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.020 4.531 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.193 3.693 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.300 4.203 -3.525 1.00 0.00 H new ATOM 290 N ASN A 18 -6.193 4.651 4.172 1.00 0.00 N ATOM 291 CA ASN A 18 -7.514 4.773 4.788 1.00 0.00 C ATOM 292 C ASN A 18 -7.574 5.858 5.868 1.00 0.00 C ATOM 293 O ASN A 18 -8.601 5.990 6.539 1.00 0.00 O ATOM 294 CB ASN A 18 -7.909 3.423 5.414 1.00 0.00 C ATOM 295 CG ASN A 18 -8.180 2.378 4.330 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.282 2.144 3.416 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.240 1.754 4.322 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.565 4.015 4.664 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.208 5.061 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.111 3.074 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.797 3.550 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.944 1.936 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.415 1.055 3.600 1.00 0.00 H new ATOM 304 N LEU A 19 -6.501 6.642 6.046 1.00 0.00 N ATOM 305 CA LEU A 19 -6.534 7.688 7.068 1.00 0.00 C ATOM 306 C LEU A 19 -7.524 8.775 6.646 1.00 0.00 C ATOM 307 O LEU A 19 -7.540 9.176 5.480 1.00 0.00 O ATOM 308 CB LEU A 19 -5.147 8.287 7.302 1.00 0.00 C ATOM 309 CG LEU A 19 -4.479 7.610 8.513 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.090 8.172 8.678 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.253 7.891 9.803 1.00 0.00 C ATOM 0 H LEU A 19 -5.632 6.575 5.516 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.858 7.244 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.529 8.153 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.230 9.360 7.474 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.459 6.535 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.606 7.700 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.508 7.975 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.150 9.248 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.756 7.400 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.286 8.966 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.269 7.508 9.708 1.00 0.00 H new ATOM 323 N PRO A 20 -8.377 9.224 7.541 1.00 0.00 N ATOM 324 CA PRO A 20 -9.422 10.239 7.227 1.00 0.00 C ATOM 325 C PRO A 20 -8.947 11.696 7.134 1.00 0.00 C ATOM 326 O PRO A 20 -9.802 12.587 7.105 1.00 0.00 O ATOM 327 CB PRO A 20 -10.440 10.081 8.378 1.00 0.00 C ATOM 328 CG PRO A 20 -9.940 8.983 9.258 1.00 0.00 C ATOM 329 CD PRO A 20 -8.464 8.834 8.957 1.00 0.00 C ATOM 0 HA PRO A 20 -9.815 10.054 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.535 11.011 8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.429 9.842 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.100 9.224 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.473 8.053 9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.855 9.478 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.120 7.812 9.117 1.00 0.00 H new ATOM 337 N ASN A 21 -7.629 11.981 7.090 1.00 0.00 N ATOM 338 CA ASN A 21 -7.222 13.406 7.012 1.00 0.00 C ATOM 339 C ASN A 21 -5.980 13.646 6.155 1.00 0.00 C ATOM 340 O ASN A 21 -5.595 14.800 5.946 1.00 0.00 O ATOM 341 CB ASN A 21 -6.994 13.982 8.417 1.00 0.00 C ATOM 342 CG ASN A 21 -8.272 13.912 9.250 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.326 13.117 10.282 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.247 14.603 8.955 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.871 11.299 7.105 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.049 13.921 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.199 13.428 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.662 15.017 8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.206 15.225 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.096 14.553 9.518 1.00 0.00 H new ATOM 351 N LEU A 22 -5.362 12.587 5.649 1.00 0.00 N ATOM 352 CA LEU A 22 -4.174 12.748 4.807 1.00 0.00 C ATOM 353 C LEU A 22 -4.568 13.107 3.385 1.00 0.00 C ATOM 354 O LEU A 22 -5.621 12.684 2.904 1.00 0.00 O ATOM 355 CB LEU A 22 -3.356 11.461 4.794 1.00 0.00 C ATOM 356 CG LEU A 22 -2.952 11.096 6.220 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.182 9.790 6.210 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.058 12.183 6.811 1.00 0.00 C ATOM 0 H LEU A 22 -5.653 11.621 5.800 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.573 13.556 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.938 10.653 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.468 11.589 4.175 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.855 10.998 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.894 9.530 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.810 9.000 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.288 9.900 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.777 11.910 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.160 12.286 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.598 13.130 6.825 1.00 0.00 H new ATOM 370 N ASN A 23 -3.706 13.871 2.707 1.00 0.00 N ATOM 371 CA ASN A 23 -3.977 14.253 1.326 1.00 0.00 C ATOM 372 C ASN A 23 -3.258 13.293 0.390 1.00 0.00 C ATOM 373 O ASN A 23 -2.373 12.545 0.819 1.00 0.00 O ATOM 374 CB ASN A 23 -3.566 15.715 1.063 1.00 0.00 C ATOM 375 CG ASN A 23 -2.047 15.889 1.048 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.326 15.159 1.715 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.520 16.833 0.319 1.00 0.00 N ATOM 0 H ASN A 23 -2.830 14.230 3.087 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.049 14.189 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.978 16.041 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.997 16.357 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.508 16.962 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.119 17.442 -0.238 1.00 0.00 H new ATOM 384 N GLY A 24 -3.658 13.300 -0.876 1.00 0.00 N ATOM 385 CA GLY A 24 -3.070 12.406 -1.869 1.00 0.00 C ATOM 386 C GLY A 24 -1.543 12.416 -1.823 1.00 0.00 C ATOM 387 O GLY A 24 -0.915 11.393 -2.068 1.00 0.00 O ATOM 0 H GLY A 24 -4.387 13.914 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.430 11.391 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.404 12.701 -2.864 1.00 0.00 H new ATOM 391 N VAL A 25 -0.956 13.573 -1.515 1.00 0.00 N ATOM 392 CA VAL A 25 0.500 13.694 -1.459 1.00 0.00 C ATOM 393 C VAL A 25 1.092 13.038 -0.215 1.00 0.00 C ATOM 394 O VAL A 25 2.050 12.275 -0.330 1.00 0.00 O ATOM 395 CB VAL A 25 0.904 15.167 -1.525 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.428 15.293 -1.390 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.465 15.732 -2.879 1.00 0.00 C ATOM 0 H VAL A 25 -1.462 14.433 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 25 0.904 13.164 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 25 0.428 15.719 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.712 16.344 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.744 14.875 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.911 14.750 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.746 16.783 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.953 15.177 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.616 15.639 -2.979 1.00 0.00 H new ATOM 407 N GLN A 26 0.544 13.330 0.971 1.00 0.00 N ATOM 408 CA GLN A 26 1.080 12.735 2.189 1.00 0.00 C ATOM 409 C GLN A 26 0.969 11.223 2.139 1.00 0.00 C ATOM 410 O GLN A 26 1.927 10.522 2.454 1.00 0.00 O ATOM 411 CB GLN A 26 0.368 13.290 3.421 1.00 0.00 C ATOM 412 CG GLN A 26 1.152 14.505 3.945 1.00 0.00 C ATOM 413 CD GLN A 26 0.195 15.539 4.500 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.425 15.277 5.600 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.005 16.604 3.913 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.248 13.958 1.107 1.00 0.00 H new ATOM 0 HA GLN A 26 2.136 12.997 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.652 13.580 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.299 12.524 4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.850 14.191 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.744 14.941 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.500 16.802 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.647 17.288 4.296 1.00 0.00 H new ATOM 424 N VAL A 27 -0.185 10.726 1.700 1.00 0.00 N ATOM 425 CA VAL A 27 -0.377 9.281 1.584 1.00 0.00 C ATOM 426 C VAL A 27 0.625 8.724 0.575 1.00 0.00 C ATOM 427 O VAL A 27 1.269 7.702 0.818 1.00 0.00 O ATOM 428 CB VAL A 27 -1.811 8.959 1.137 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.988 7.439 1.051 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.811 9.523 2.155 1.00 0.00 C ATOM 0 H VAL A 27 -0.989 11.290 1.423 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.214 8.819 2.558 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.992 9.409 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.005 7.208 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.281 7.031 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.804 6.995 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.827 9.292 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.628 9.074 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.689 10.604 2.224 1.00 0.00 H new ATOM 440 N LYS A 28 0.761 9.435 -0.544 1.00 0.00 N ATOM 441 CA LYS A 28 1.700 9.057 -1.597 1.00 0.00 C ATOM 442 C LYS A 28 3.129 9.081 -1.056 1.00 0.00 C ATOM 443 O LYS A 28 3.960 8.256 -1.434 1.00 0.00 O ATOM 444 CB LYS A 28 1.556 10.031 -2.786 1.00 0.00 C ATOM 445 CG LYS A 28 2.422 9.584 -3.968 1.00 0.00 C ATOM 446 CD LYS A 28 2.392 10.664 -5.060 1.00 0.00 C ATOM 447 CE LYS A 28 3.264 10.242 -6.247 1.00 0.00 C ATOM 448 NZ LYS A 28 4.697 10.215 -5.831 1.00 0.00 N ATOM 0 H LYS A 28 0.228 10.281 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 28 1.478 8.046 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.512 10.083 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.847 11.035 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.447 9.413 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.053 8.639 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.367 10.827 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.750 11.611 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.960 9.258 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.129 10.937 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.234 10.906 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.770 10.456 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.086 9.264 -5.989 1.00 0.00 H new ATOM 462 N ALA A 29 3.396 10.038 -0.166 1.00 0.00 N ATOM 463 CA ALA A 29 4.708 10.189 0.438 1.00 0.00 C ATOM 464 C ALA A 29 4.982 9.069 1.403 1.00 0.00 C ATOM 465 O ALA A 29 6.072 8.502 1.415 1.00 0.00 O ATOM 466 CB ALA A 29 4.786 11.502 1.192 1.00 0.00 C ATOM 0 H ALA A 29 2.710 10.723 0.151 1.00 0.00 H new ATOM 0 HA ALA A 29 5.449 10.170 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.774 11.606 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.612 12.328 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.028 11.517 1.975 1.00 0.00 H new ATOM 472 N PHE A 30 3.976 8.747 2.208 1.00 0.00 N ATOM 473 CA PHE A 30 4.109 7.686 3.154 1.00 0.00 C ATOM 474 C PHE A 30 4.325 6.407 2.378 1.00 0.00 C ATOM 475 O PHE A 30 5.153 5.581 2.757 1.00 0.00 O ATOM 476 CB PHE A 30 2.876 7.613 4.052 1.00 0.00 C ATOM 477 CG PHE A 30 2.746 8.887 4.878 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.860 9.402 5.573 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.510 9.559 4.958 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.732 10.568 6.322 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.399 10.724 5.713 1.00 0.00 C ATOM 482 CZ PHE A 30 2.507 11.227 6.390 1.00 0.00 C ATOM 0 H PHE A 30 3.069 9.213 2.212 1.00 0.00 H new ATOM 0 HA PHE A 30 4.960 7.855 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.983 7.473 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.950 6.749 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.811 8.892 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.649 9.171 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.586 10.963 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.451 11.239 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.416 12.133 6.971 1.00 0.00 H new ATOM 492 N ILE A 31 3.631 6.292 1.232 1.00 0.00 N ATOM 493 CA ILE A 31 3.825 5.143 0.369 1.00 0.00 C ATOM 494 C ILE A 31 5.247 5.163 -0.137 1.00 0.00 C ATOM 495 O ILE A 31 5.942 4.172 -0.058 1.00 0.00 O ATOM 496 CB ILE A 31 2.839 5.132 -0.823 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.481 4.580 -0.338 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.398 4.254 -1.980 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.429 4.676 -1.448 1.00 0.00 C ATOM 0 H ILE A 31 2.948 6.972 0.898 1.00 0.00 H new ATOM 0 HA ILE A 31 3.632 4.239 0.947 1.00 0.00 H new ATOM 0 HB ILE A 31 2.709 6.146 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.595 3.541 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.147 5.139 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.693 4.256 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.354 4.657 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.539 3.233 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.520 4.282 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.301 5.719 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.757 4.096 -2.311 1.00 0.00 H new ATOM 511 N ASP A 32 5.669 6.313 -0.644 1.00 0.00 N ATOM 512 CA ASP A 32 7.020 6.452 -1.176 1.00 0.00 C ATOM 513 C ASP A 32 8.062 6.074 -0.136 1.00 0.00 C ATOM 514 O ASP A 32 9.028 5.370 -0.434 1.00 0.00 O ATOM 515 CB ASP A 32 7.253 7.896 -1.653 1.00 0.00 C ATOM 516 CG ASP A 32 6.789 8.065 -3.101 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.320 7.374 -3.956 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.923 8.893 -3.336 1.00 0.00 O ATOM 0 H ASP A 32 5.101 7.158 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 32 7.122 5.772 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.712 8.589 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.311 8.145 -1.573 1.00 0.00 H new ATOM 523 N SER A 33 7.832 6.521 1.080 1.00 0.00 N ATOM 524 CA SER A 33 8.718 6.219 2.196 1.00 0.00 C ATOM 525 C SER A 33 8.661 4.723 2.511 1.00 0.00 C ATOM 526 O SER A 33 9.667 4.103 2.845 1.00 0.00 O ATOM 527 CB SER A 33 8.291 7.039 3.409 1.00 0.00 C ATOM 528 OG SER A 33 8.376 8.423 3.092 1.00 0.00 O ATOM 0 H SER A 33 7.031 7.102 1.328 1.00 0.00 H new ATOM 0 HA SER A 33 9.744 6.477 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.272 6.782 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.930 6.809 4.262 1.00 0.00 H new ATOM 0 HG SER A 33 7.639 8.667 2.494 1.00 0.00 H new ATOM 534 N LEU A 34 7.462 4.166 2.366 1.00 0.00 N ATOM 535 CA LEU A 34 7.203 2.741 2.586 1.00 0.00 C ATOM 536 C LEU A 34 8.006 1.899 1.594 1.00 0.00 C ATOM 537 O LEU A 34 8.744 1.000 1.982 1.00 0.00 O ATOM 538 CB LEU A 34 5.708 2.516 2.362 1.00 0.00 C ATOM 539 CG LEU A 34 4.952 2.382 3.679 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.689 3.245 3.660 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.552 0.931 3.849 1.00 0.00 C ATOM 0 H LEU A 34 6.634 4.693 2.090 1.00 0.00 H new ATOM 0 HA LEU A 34 7.497 2.448 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.297 3.348 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.561 1.616 1.765 1.00 0.00 H new ATOM 0 HG LEU A 34 5.590 2.711 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.161 3.138 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.964 4.290 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.041 2.923 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.009 0.811 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.914 0.630 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.445 0.307 3.865 1.00 0.00 H new ATOM 553 N ARG A 35 7.859 2.215 0.313 1.00 0.00 N ATOM 554 CA ARG A 35 8.594 1.491 -0.745 1.00 0.00 C ATOM 555 C ARG A 35 10.097 1.684 -0.546 1.00 0.00 C ATOM 556 O ARG A 35 10.876 0.732 -0.625 1.00 0.00 O ATOM 557 CB ARG A 35 8.222 1.988 -2.163 1.00 0.00 C ATOM 558 CG ARG A 35 7.021 2.933 -2.101 1.00 0.00 C ATOM 559 CD ARG A 35 6.449 3.295 -3.482 1.00 0.00 C ATOM 560 NE ARG A 35 7.179 2.652 -4.559 1.00 0.00 N ATOM 561 CZ ARG A 35 6.762 1.516 -5.101 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.177 0.625 -4.363 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.937 1.300 -6.367 1.00 0.00 N ATOM 0 H ARG A 35 7.248 2.957 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 35 8.318 0.439 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.073 2.501 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.990 1.137 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.236 2.471 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.316 3.848 -1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.401 3.001 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.483 4.376 -3.616 1.00 0.00 H new ATOM 0 HE ARG A 35 8.034 3.085 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.038 0.799 -3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.855 -0.250 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.395 2.004 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.616 0.426 -6.784 1.00 0.00 H new ATOM 577 N ASP A 36 10.479 2.934 -0.274 1.00 0.00 N ATOM 578 CA ASP A 36 11.876 3.292 -0.044 1.00 0.00 C ATOM 579 C ASP A 36 12.405 2.581 1.194 1.00 0.00 C ATOM 580 O ASP A 36 13.575 2.201 1.260 1.00 0.00 O ATOM 581 CB ASP A 36 11.997 4.800 0.148 1.00 0.00 C ATOM 582 CG ASP A 36 13.468 5.215 0.183 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.033 5.419 -0.879 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.007 5.322 1.273 1.00 0.00 O ATOM 0 H ASP A 36 9.832 3.720 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 36 12.463 2.985 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.485 5.319 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.507 5.096 1.075 1.00 0.00 H new ATOM 589 N ASP A 37 11.516 2.414 2.168 1.00 0.00 N ATOM 590 CA ASP A 37 11.861 1.754 3.421 1.00 0.00 C ATOM 591 C ASP A 37 10.636 1.069 4.007 1.00 0.00 C ATOM 592 O ASP A 37 9.839 1.687 4.721 1.00 0.00 O ATOM 593 CB ASP A 37 12.440 2.767 4.424 1.00 0.00 C ATOM 594 CG ASP A 37 13.160 2.046 5.574 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.647 1.041 6.050 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.212 2.518 5.969 1.00 0.00 O ATOM 0 H ASP A 37 10.547 2.728 2.112 1.00 0.00 H new ATOM 0 HA ASP A 37 12.621 1.000 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.136 3.433 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.639 3.389 4.824 1.00 0.00 H new ATOM 601 N PRO A 38 10.471 -0.194 3.709 1.00 0.00 N ATOM 602 CA PRO A 38 9.319 -0.985 4.203 1.00 0.00 C ATOM 603 C PRO A 38 9.396 -1.280 5.693 1.00 0.00 C ATOM 604 O PRO A 38 8.372 -1.372 6.366 1.00 0.00 O ATOM 605 CB PRO A 38 9.352 -2.268 3.382 1.00 0.00 C ATOM 606 CG PRO A 38 10.505 -2.177 2.434 1.00 0.00 C ATOM 607 CD PRO A 38 11.367 -1.004 2.871 1.00 0.00 C ATOM 0 HA PRO A 38 8.386 -0.433 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.461 -3.135 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.418 -2.395 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.083 -3.101 2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.151 -2.033 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.241 -1.338 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.733 -0.437 2.015 1.00 0.00 H new ATOM 615 N SER A 39 10.611 -1.406 6.208 1.00 0.00 N ATOM 616 CA SER A 39 10.799 -1.656 7.633 1.00 0.00 C ATOM 617 C SER A 39 10.249 -0.463 8.405 1.00 0.00 C ATOM 618 O SER A 39 9.763 -0.591 9.531 1.00 0.00 O ATOM 619 CB SER A 39 12.285 -1.845 7.948 1.00 0.00 C ATOM 620 OG SER A 39 12.822 -2.847 7.093 1.00 0.00 O ATOM 0 H SER A 39 11.474 -1.340 5.668 1.00 0.00 H new ATOM 0 HA SER A 39 10.273 -2.566 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.821 -0.906 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.414 -2.133 8.991 1.00 0.00 H new ATOM 0 HG SER A 39 13.774 -2.970 7.291 1.00 0.00 H new ATOM 626 N GLN A 40 10.337 0.698 7.758 1.00 0.00 N ATOM 627 CA GLN A 40 9.864 1.955 8.320 1.00 0.00 C ATOM 628 C GLN A 40 8.358 2.139 8.077 1.00 0.00 C ATOM 629 O GLN A 40 7.782 3.125 8.494 1.00 0.00 O ATOM 630 CB GLN A 40 10.648 3.103 7.659 1.00 0.00 C ATOM 631 CG GLN A 40 10.505 4.408 8.456 1.00 0.00 C ATOM 632 CD GLN A 40 11.308 5.534 7.799 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.142 5.268 6.828 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.172 6.694 8.187 1.00 0.00 N flip ATOM 0 H GLN A 40 10.741 0.790 6.826 1.00 0.00 H new ATOM 0 HA GLN A 40 10.026 1.953 9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.701 2.832 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.287 3.254 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.454 4.691 8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.852 4.256 9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.522 6.906 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.709 7.444 7.751 1.00 0.00 H new ATOM 643 N SER A 41 7.728 1.195 7.385 1.00 0.00 N ATOM 644 CA SER A 41 6.299 1.303 7.062 1.00 0.00 C ATOM 645 C SER A 41 5.443 1.638 8.284 1.00 0.00 C ATOM 646 O SER A 41 4.490 2.413 8.185 1.00 0.00 O ATOM 647 CB SER A 41 5.821 -0.036 6.501 1.00 0.00 C ATOM 648 OG SER A 41 5.920 -1.037 7.509 1.00 0.00 O ATOM 0 H SER A 41 8.177 0.348 7.036 1.00 0.00 H new ATOM 0 HA SER A 41 6.188 2.112 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.790 0.049 6.158 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.423 -0.315 5.636 1.00 0.00 H new ATOM 0 HG SER A 41 6.786 -1.491 7.436 1.00 0.00 H new ATOM 654 N ALA A 42 5.798 1.070 9.426 1.00 0.00 N ATOM 655 CA ALA A 42 5.076 1.320 10.667 1.00 0.00 C ATOM 656 C ALA A 42 5.244 2.767 11.083 1.00 0.00 C ATOM 657 O ALA A 42 4.325 3.403 11.596 1.00 0.00 O ATOM 658 CB ALA A 42 5.667 0.448 11.762 1.00 0.00 C ATOM 0 H ALA A 42 6.586 0.429 9.521 1.00 0.00 H new ATOM 0 HA ALA A 42 4.020 1.097 10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.135 0.626 12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.570 -0.601 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.721 0.693 11.893 1.00 0.00 H new ATOM 664 N ASN A 43 6.451 3.254 10.856 1.00 0.00 N ATOM 665 CA ASN A 43 6.826 4.606 11.192 1.00 0.00 C ATOM 666 C ASN A 43 6.108 5.610 10.304 1.00 0.00 C ATOM 667 O ASN A 43 5.751 6.699 10.728 1.00 0.00 O ATOM 668 CB ASN A 43 8.331 4.731 10.997 1.00 0.00 C ATOM 669 CG ASN A 43 9.066 4.448 12.304 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.956 5.215 13.260 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.813 3.384 12.404 1.00 0.00 N ATOM 0 H ASN A 43 7.202 2.712 10.429 1.00 0.00 H new ATOM 0 HA ASN A 43 6.546 4.819 12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.663 4.033 10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.576 5.733 10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.306 3.187 13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.904 2.748 11.611 1.00 0.00 H new ATOM 678 N LEU A 44 5.920 5.212 9.065 1.00 0.00 N ATOM 679 CA LEU A 44 5.264 6.028 8.058 1.00 0.00 C ATOM 680 C LEU A 44 3.807 6.064 8.350 1.00 0.00 C ATOM 681 O LEU A 44 3.159 7.099 8.270 1.00 0.00 O ATOM 682 CB LEU A 44 5.578 5.401 6.713 1.00 0.00 C ATOM 683 CG LEU A 44 7.102 5.337 6.646 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.573 4.422 5.539 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.624 6.744 6.479 1.00 0.00 C ATOM 0 H LEU A 44 6.221 4.300 8.720 1.00 0.00 H new ATOM 0 HA LEU A 44 5.613 7.061 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.138 4.407 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.173 5.998 5.896 1.00 0.00 H new ATOM 0 HG LEU A 44 7.496 4.912 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.663 4.402 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.194 3.415 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.202 4.788 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.713 6.725 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.226 7.173 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.311 7.351 7.328 1.00 0.00 H new ATOM 697 N LEU A 45 3.343 4.920 8.781 1.00 0.00 N ATOM 698 CA LEU A 45 1.974 4.770 9.217 1.00 0.00 C ATOM 699 C LEU A 45 1.790 5.665 10.432 1.00 0.00 C ATOM 700 O LEU A 45 0.767 6.319 10.602 1.00 0.00 O ATOM 701 CB LEU A 45 1.711 3.299 9.568 1.00 0.00 C ATOM 702 CG LEU A 45 0.434 3.156 10.408 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.765 3.740 9.656 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.203 1.672 10.697 1.00 0.00 C ATOM 0 H LEU A 45 3.899 4.067 8.841 1.00 0.00 H new ATOM 0 HA LEU A 45 1.269 5.056 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.617 2.714 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.560 2.895 10.119 1.00 0.00 H new ATOM 0 HG LEU A 45 0.547 3.702 11.344 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.663 3.632 10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.589 4.797 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.898 3.208 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.702 1.554 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.091 1.131 9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.055 1.271 11.247 1.00 0.00 H new ATOM 716 N ALA A 46 2.837 5.702 11.244 1.00 0.00 N ATOM 717 CA ALA A 46 2.862 6.525 12.438 1.00 0.00 C ATOM 718 C ALA A 46 2.817 7.983 12.053 1.00 0.00 C ATOM 719 O ALA A 46 2.051 8.773 12.604 1.00 0.00 O ATOM 720 CB ALA A 46 4.154 6.276 13.211 1.00 0.00 C ATOM 0 H ALA A 46 3.689 5.163 11.092 1.00 0.00 H new ATOM 0 HA ALA A 46 2.000 6.271 13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.167 6.897 14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.210 5.226 13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.008 6.528 12.582 1.00 0.00 H new ATOM 726 N GLU A 47 3.645 8.308 11.074 1.00 0.00 N ATOM 727 CA GLU A 47 3.735 9.643 10.551 1.00 0.00 C ATOM 728 C GLU A 47 2.413 10.039 9.952 1.00 0.00 C ATOM 729 O GLU A 47 1.987 11.178 10.055 1.00 0.00 O ATOM 730 CB GLU A 47 4.786 9.663 9.453 1.00 0.00 C ATOM 731 CG GLU A 47 6.204 9.749 10.011 1.00 0.00 C ATOM 732 CD GLU A 47 6.329 10.868 11.052 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.005 12.001 10.726 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.736 10.572 12.162 1.00 0.00 O ATOM 0 H GLU A 47 4.273 7.643 10.624 1.00 0.00 H new ATOM 0 HA GLU A 47 4.000 10.334 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.691 8.763 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.605 10.513 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.476 8.796 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.907 9.927 9.197 1.00 0.00 H new ATOM 741 N ALA A 48 1.777 9.072 9.325 1.00 0.00 N ATOM 742 CA ALA A 48 0.508 9.289 8.701 1.00 0.00 C ATOM 743 C ALA A 48 -0.539 9.544 9.757 1.00 0.00 C ATOM 744 O ALA A 48 -1.293 10.502 9.667 1.00 0.00 O ATOM 745 CB ALA A 48 0.167 8.057 7.896 1.00 0.00 C ATOM 0 H ALA A 48 2.132 8.120 9.239 1.00 0.00 H new ATOM 0 HA ALA A 48 0.544 10.158 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.798 8.196 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.935 7.892 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.118 7.192 8.558 1.00 0.00 H new ATOM 751 N LYS A 49 -0.545 8.698 10.782 1.00 0.00 N ATOM 752 CA LYS A 49 -1.471 8.865 11.887 1.00 0.00 C ATOM 753 C LYS A 49 -1.217 10.222 12.521 1.00 0.00 C ATOM 754 O LYS A 49 -2.138 10.863 13.020 1.00 0.00 O ATOM 755 CB LYS A 49 -1.284 7.745 12.922 1.00 0.00 C ATOM 756 CG LYS A 49 -1.708 6.393 12.323 1.00 0.00 C ATOM 757 CD LYS A 49 -3.234 6.237 12.391 1.00 0.00 C ATOM 758 CE LYS A 49 -3.669 5.001 11.592 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.045 3.778 12.177 1.00 0.00 N ATOM 0 H LYS A 49 0.079 7.895 10.867 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.497 8.811 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.241 7.701 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.877 7.959 13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.374 6.325 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.228 5.580 12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.552 6.140 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.718 7.128 11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.755 4.910 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.373 5.108 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.408 2.935 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.012 3.827 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.280 3.719 13.188 1.00 0.00 H new ATOM 773 N LYS A 50 0.048 10.658 12.465 1.00 0.00 N ATOM 774 CA LYS A 50 0.431 11.945 13.006 1.00 0.00 C ATOM 775 C LYS A 50 -0.034 13.063 12.095 1.00 0.00 C ATOM 776 O LYS A 50 -0.527 14.091 12.558 1.00 0.00 O ATOM 777 CB LYS A 50 1.952 12.003 13.194 1.00 0.00 C ATOM 778 CG LYS A 50 2.358 11.208 14.446 1.00 0.00 C ATOM 779 CD LYS A 50 3.859 10.877 14.397 1.00 0.00 C ATOM 780 CE LYS A 50 4.685 12.167 14.313 1.00 0.00 C ATOM 781 NZ LYS A 50 6.116 11.858 14.591 1.00 0.00 N ATOM 0 H LYS A 50 0.815 10.130 12.048 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.048 12.074 13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.451 11.594 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.275 13.039 13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.134 11.787 15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.776 10.288 14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.143 10.312 15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.071 10.244 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.583 12.613 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.313 12.897 15.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.634 12.742 14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.182 11.243 15.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.532 11.373 13.771 1.00 0.00 H new ATOM 795 N LEU A 51 0.122 12.843 10.796 1.00 0.00 N ATOM 796 CA LEU A 51 -0.285 13.825 9.810 1.00 0.00 C ATOM 797 C LEU A 51 -1.797 13.909 9.771 1.00 0.00 C ATOM 798 O LEU A 51 -2.374 14.995 9.737 1.00 0.00 O ATOM 799 CB LEU A 51 0.260 13.460 8.420 1.00 0.00 C ATOM 800 CG LEU A 51 1.577 14.200 8.132 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.388 15.714 8.299 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.684 13.700 9.073 1.00 0.00 C ATOM 0 H LEU A 51 0.527 11.993 10.405 1.00 0.00 H new ATOM 0 HA LEU A 51 0.125 14.795 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.423 12.384 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.478 13.713 7.658 1.00 0.00 H new ATOM 0 HG LEU A 51 1.871 13.996 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.329 16.223 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.625 16.064 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.075 15.931 9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.611 14.232 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.392 13.882 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.835 12.631 8.921 1.00 0.00 H new ATOM 814 N ASN A 52 -2.424 12.741 9.806 1.00 0.00 N ATOM 815 CA ASN A 52 -3.865 12.644 9.810 1.00 0.00 C ATOM 816 C ASN A 52 -4.396 13.293 11.066 1.00 0.00 C ATOM 817 O ASN A 52 -5.342 14.069 11.018 1.00 0.00 O ATOM 818 CB ASN A 52 -4.280 11.175 9.767 1.00 0.00 C ATOM 819 CG ASN A 52 -5.745 11.007 10.134 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.613 11.237 9.308 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.072 10.609 11.331 1.00 0.00 N ATOM 0 H ASN A 52 -1.944 11.841 9.832 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.274 13.152 8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.104 10.774 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.662 10.599 10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.054 10.489 11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.346 10.417 12.021 1.00 0.00 H new ATOM 828 N ASP A 53 -3.757 12.970 12.189 1.00 0.00 N ATOM 829 CA ASP A 53 -4.158 13.536 13.463 1.00 0.00 C ATOM 830 C ASP A 53 -3.979 15.048 13.436 1.00 0.00 C ATOM 831 O ASP A 53 -4.838 15.797 13.900 1.00 0.00 O ATOM 832 CB ASP A 53 -3.346 12.928 14.612 1.00 0.00 C ATOM 833 CG ASP A 53 -3.633 13.666 15.922 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.782 13.681 16.337 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.701 14.213 16.488 1.00 0.00 O ATOM 0 H ASP A 53 -2.968 12.325 12.237 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.209 13.301 13.630 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.594 11.872 14.721 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.282 12.984 14.382 1.00 0.00 H new ATOM 840 N ALA A 54 -2.860 15.481 12.863 1.00 0.00 N ATOM 841 CA ALA A 54 -2.566 16.897 12.743 1.00 0.00 C ATOM 842 C ALA A 54 -3.623 17.562 11.866 1.00 0.00 C ATOM 843 O ALA A 54 -4.057 18.683 12.136 1.00 0.00 O ATOM 844 CB ALA A 54 -1.180 17.085 12.126 1.00 0.00 C ATOM 0 H ALA A 54 -2.144 14.867 12.475 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.579 17.357 13.731 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.963 18.149 12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.431 16.613 12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.157 16.626 11.137 1.00 0.00 H new ATOM 850 N GLN A 55 -4.038 16.840 10.822 1.00 0.00 N ATOM 851 CA GLN A 55 -5.055 17.332 9.900 1.00 0.00 C ATOM 852 C GLN A 55 -6.462 16.988 10.400 1.00 0.00 C ATOM 853 O GLN A 55 -7.458 17.367 9.779 1.00 0.00 O ATOM 854 CB GLN A 55 -4.817 16.704 8.528 1.00 0.00 C ATOM 855 CG GLN A 55 -3.553 17.304 7.901 1.00 0.00 C ATOM 856 CD GLN A 55 -3.146 16.489 6.683 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.812 15.241 6.841 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.134 16.995 5.562 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.682 15.911 10.597 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.982 18.417 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.710 15.624 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.676 16.882 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.735 18.339 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.743 17.314 8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.396 17.973 5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.862 16.436 4.753 1.00 0.00 H new ATOM 867 N ALA A 56 -6.533 16.269 11.523 1.00 0.00 N ATOM 868 CA ALA A 56 -7.819 15.875 12.102 1.00 0.00 C ATOM 869 C ALA A 56 -8.464 17.054 12.813 1.00 0.00 C ATOM 870 O ALA A 56 -7.770 17.865 13.430 1.00 0.00 O ATOM 871 CB ALA A 56 -7.629 14.714 13.091 1.00 0.00 C ATOM 0 H ALA A 56 -5.719 15.949 12.047 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.472 15.548 11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.594 14.433 13.512 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.198 13.859 12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.960 15.025 13.893 1.00 0.00 H new ATOM 981 N PHE B 5 -9.927 -11.862 1.983 1.00 0.00 N ATOM 982 CA PHE B 5 -8.677 -11.332 1.473 1.00 0.00 C ATOM 983 C PHE B 5 -8.170 -10.141 2.280 1.00 0.00 C ATOM 984 O PHE B 5 -7.204 -9.527 1.886 1.00 0.00 O ATOM 985 CB PHE B 5 -8.866 -10.923 0.006 1.00 0.00 C ATOM 986 CG PHE B 5 -8.817 -12.159 -0.857 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.763 -13.172 -0.670 1.00 0.00 C ATOM 988 CD2 PHE B 5 -7.816 -12.301 -1.824 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.711 -14.326 -1.455 1.00 0.00 C ATOM 990 CE2 PHE B 5 -7.762 -13.457 -2.606 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.709 -14.470 -2.422 1.00 0.00 C ATOM 0 HA PHE B 5 -7.926 -12.117 1.560 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.820 -10.411 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.086 -10.223 -0.294 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.532 -13.062 0.080 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.086 -11.518 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.444 -15.107 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.989 -13.569 -3.352 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.667 -15.364 -3.026 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.793 -9.820 3.415 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.303 -8.700 4.229 1.00 0.00 C ATOM 1003 C ASN B 6 -6.824 -8.927 4.518 1.00 0.00 C ATOM 1004 O ASN B 6 -6.018 -8.010 4.414 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.094 -8.607 5.543 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.810 -7.285 6.270 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.477 -6.971 7.254 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.866 -6.488 5.845 1.00 0.00 N ATOM 0 H ASN B 6 -9.613 -10.301 3.786 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.437 -7.763 3.689 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.161 -8.689 5.335 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.830 -9.444 6.189 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.684 -5.609 6.329 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.311 -6.745 5.029 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.486 -10.176 4.822 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.103 -10.566 5.068 1.00 0.00 C ATOM 1017 C LYS B 7 -4.304 -10.519 3.762 1.00 0.00 C ATOM 1018 O LYS B 7 -3.205 -9.969 3.710 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.087 -11.997 5.633 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.649 -12.537 5.727 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.687 -14.019 6.130 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.351 -14.696 5.789 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.604 -15.877 4.915 1.00 0.00 N ATOM 0 H LYS B 7 -7.157 -10.940 4.904 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.649 -9.878 5.781 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.548 -12.007 6.621 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.684 -12.650 4.996 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.142 -12.422 4.769 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.080 -11.964 6.459 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.886 -14.108 7.198 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.502 -14.524 5.611 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.691 -13.990 5.284 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.845 -15.007 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.706 -16.367 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.259 -16.528 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.023 -15.561 4.017 1.00 0.00 H new ATOM 1037 N GLU B 8 -4.875 -11.133 2.725 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.240 -11.218 1.406 1.00 0.00 C ATOM 1039 C GLU B 8 -4.094 -9.852 0.736 1.00 0.00 C ATOM 1040 O GLU B 8 -3.136 -9.614 -0.003 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.093 -12.122 0.495 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.227 -13.532 1.100 1.00 0.00 C ATOM 1043 CD GLU B 8 -3.860 -14.081 1.524 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.003 -14.222 0.666 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.693 -14.353 2.703 1.00 0.00 O ATOM 0 H GLU B 8 -5.788 -11.585 2.774 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.240 -11.628 1.552 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.082 -11.683 0.361 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.636 -12.186 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.893 -13.500 1.962 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.682 -14.203 0.371 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.063 -8.977 0.977 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.068 -7.655 0.380 1.00 0.00 C ATOM 1054 C ARG B 9 -3.834 -6.888 0.830 1.00 0.00 C ATOM 1055 O ARG B 9 -3.147 -6.285 0.013 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.325 -6.883 0.809 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.456 -5.596 -0.022 1.00 0.00 C ATOM 1058 CD ARG B 9 -6.911 -4.437 0.868 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.273 -4.654 1.339 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.306 -4.031 0.781 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.406 -3.969 -0.513 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.214 -3.475 1.529 1.00 0.00 N ATOM 0 H ARG B 9 -5.859 -9.165 1.587 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.064 -7.760 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.209 -7.506 0.673 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.268 -6.638 1.869 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.499 -5.355 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.172 -5.747 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.238 -4.340 1.719 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.858 -3.502 0.311 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.437 -5.298 2.113 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -8.692 -4.399 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.199 -3.491 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.134 -3.517 2.545 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.006 -2.997 1.099 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.541 -6.939 2.136 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.365 -6.253 2.658 1.00 0.00 C ATOM 1078 C VAL B 10 -1.109 -6.836 2.007 1.00 0.00 C ATOM 1079 O VAL B 10 -0.182 -6.105 1.706 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.294 -6.241 4.217 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.645 -6.605 4.866 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.215 -7.185 4.740 1.00 0.00 C ATOM 0 H VAL B 10 -4.093 -7.439 2.833 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.440 -5.199 2.389 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.040 -5.218 4.496 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.545 -6.583 5.951 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.403 -5.885 4.557 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.943 -7.604 4.549 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.197 -7.149 5.829 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.433 -8.202 4.415 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.244 -6.879 4.350 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.091 -8.150 1.768 1.00 0.00 N ATOM 1093 CA ILE B 11 0.069 -8.774 1.120 1.00 0.00 C ATOM 1094 C ILE B 11 0.245 -8.193 -0.281 1.00 0.00 C ATOM 1095 O ILE B 11 1.369 -7.935 -0.713 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.086 -10.304 1.040 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.316 -10.877 2.443 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.197 -10.929 0.463 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.978 -10.795 3.262 1.00 0.00 C ATOM 0 H ILE B 11 -1.847 -8.791 2.006 1.00 0.00 H new ATOM 0 HA ILE B 11 0.952 -8.560 1.722 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.936 -10.536 0.398 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -1.110 -10.324 2.945 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.646 -11.913 2.372 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.082 -12.012 0.409 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.377 -10.533 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.042 -10.686 1.107 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.805 -11.204 4.257 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.760 -11.368 2.765 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.290 -9.754 3.347 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.878 -7.966 -0.977 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.841 -7.391 -2.312 1.00 0.00 C ATOM 1113 C ALA B 12 -0.357 -5.977 -2.232 1.00 0.00 C ATOM 1114 O ALA B 12 0.542 -5.609 -2.968 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.234 -7.418 -2.928 1.00 0.00 C ATOM 0 H ALA B 12 -1.815 -8.174 -0.632 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.164 -7.975 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.198 -6.986 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.584 -8.448 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.918 -6.839 -2.307 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.921 -5.213 -1.297 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.505 -3.833 -1.097 1.00 0.00 C ATOM 1123 C ILE B 13 0.978 -3.858 -0.811 1.00 0.00 C ATOM 1124 O ILE B 13 1.742 -3.096 -1.374 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.301 -3.228 0.080 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.776 -3.266 -0.276 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.922 -1.767 0.323 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.645 -3.031 0.949 1.00 0.00 C ATOM 0 H ILE B 13 -1.663 -5.528 -0.671 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.699 -3.216 -1.974 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.078 -3.805 0.977 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.991 -2.507 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.021 -4.231 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.502 -1.375 1.158 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.141 -1.701 0.556 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.134 -1.182 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.696 -3.064 0.661 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.447 -3.806 1.690 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.416 -2.054 1.375 1.00 0.00 H new ATOM 1140 N GLY B 14 1.373 -4.810 0.016 1.00 0.00 N ATOM 1141 CA GLY B 14 2.775 -5.003 0.340 1.00 0.00 C ATOM 1142 C GLY B 14 3.580 -5.278 -0.921 1.00 0.00 C ATOM 1143 O GLY B 14 4.667 -4.743 -1.096 1.00 0.00 O ATOM 0 H GLY B 14 0.740 -5.464 0.477 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.164 -4.116 0.841 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.882 -5.835 1.036 1.00 0.00 H new ATOM 1147 N GLU B 15 3.027 -6.109 -1.805 1.00 0.00 N ATOM 1148 CA GLU B 15 3.703 -6.448 -3.044 1.00 0.00 C ATOM 1149 C GLU B 15 3.823 -5.223 -3.918 1.00 0.00 C ATOM 1150 O GLU B 15 4.887 -4.972 -4.472 1.00 0.00 O ATOM 1151 CB GLU B 15 2.930 -7.538 -3.778 1.00 0.00 C ATOM 1152 CG GLU B 15 3.841 -8.280 -4.778 1.00 0.00 C ATOM 1153 CD GLU B 15 3.672 -9.794 -4.617 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.553 -10.265 -4.736 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.667 -10.459 -4.383 1.00 0.00 O ATOM 0 H GLU B 15 2.118 -6.554 -1.682 1.00 0.00 H new ATOM 0 HA GLU B 15 4.702 -6.817 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.520 -8.247 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.085 -7.097 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.593 -7.984 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.882 -8.002 -4.610 1.00 0.00 H new ATOM 1162 N ILE B 16 2.738 -4.440 -4.031 1.00 0.00 N ATOM 1163 CA ILE B 16 2.823 -3.230 -4.872 1.00 0.00 C ATOM 1164 C ILE B 16 3.950 -2.349 -4.342 1.00 0.00 C ATOM 1165 O ILE B 16 4.829 -1.907 -5.085 1.00 0.00 O ATOM 1166 CB ILE B 16 1.553 -2.328 -4.843 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.245 -3.105 -4.668 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.475 -1.529 -6.142 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.093 -3.882 -5.931 1.00 0.00 C ATOM 0 H ILE B 16 1.838 -4.606 -3.580 1.00 0.00 H new ATOM 0 HA ILE B 16 2.969 -3.596 -5.888 1.00 0.00 H new ATOM 0 HB ILE B 16 1.657 -1.679 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.334 -3.791 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.565 -2.415 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.588 -0.896 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.364 -0.906 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.417 -2.214 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.026 -4.427 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.204 -3.190 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.709 -4.588 -6.150 1.00 0.00 H new ATOM 1181 N MET B 17 3.892 -2.113 -3.039 1.00 0.00 N ATOM 1182 CA MET B 17 4.871 -1.298 -2.339 1.00 0.00 C ATOM 1183 C MET B 17 6.272 -1.907 -2.470 1.00 0.00 C ATOM 1184 O MET B 17 7.262 -1.179 -2.557 1.00 0.00 O ATOM 1185 CB MET B 17 4.428 -1.172 -0.891 1.00 0.00 C ATOM 1186 CG MET B 17 3.003 -0.595 -0.862 1.00 0.00 C ATOM 1187 SD MET B 17 3.037 1.123 -1.374 1.00 0.00 S ATOM 1188 CE MET B 17 3.899 1.717 0.081 1.00 0.00 C ATOM 0 H MET B 17 3.159 -2.485 -2.435 1.00 0.00 H new ATOM 0 HA MET B 17 4.929 -0.302 -2.778 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.452 -2.146 -0.402 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.110 -0.523 -0.342 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.354 -1.169 -1.524 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.587 -0.677 0.142 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.259 2.412 0.624 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.149 0.874 0.725 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.814 2.226 -0.221 1.00 0.00 H new ATOM 1198 N ARG B 18 6.343 -3.243 -2.520 1.00 0.00 N ATOM 1199 CA ARG B 18 7.619 -3.938 -2.686 1.00 0.00 C ATOM 1200 C ARG B 18 8.171 -3.728 -4.095 1.00 0.00 C ATOM 1201 O ARG B 18 9.382 -3.591 -4.274 1.00 0.00 O ATOM 1202 CB ARG B 18 7.452 -5.428 -2.426 1.00 0.00 C ATOM 1203 CG ARG B 18 7.442 -5.698 -0.917 1.00 0.00 C ATOM 1204 CD ARG B 18 8.444 -6.794 -0.575 1.00 0.00 C ATOM 1205 NE ARG B 18 7.895 -8.107 -0.903 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.517 -9.224 -0.543 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.584 -9.610 -1.182 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.060 -9.935 0.449 1.00 0.00 N ATOM 0 H ARG B 18 5.534 -3.859 -2.448 1.00 0.00 H new ATOM 0 HA ARG B 18 8.322 -3.523 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.523 -5.782 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.264 -5.981 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.690 -4.786 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.443 -5.996 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.371 -6.633 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.692 -6.751 0.486 1.00 0.00 H new ATOM 0 HE ARG B 18 7.017 -8.167 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.942 -9.055 -1.959 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.062 -10.468 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.224 -9.634 0.950 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.538 -10.793 0.725 1.00 0.00 H new ATOM 1222 N LEU B 19 7.271 -3.706 -5.091 1.00 0.00 N ATOM 1223 CA LEU B 19 7.679 -3.513 -6.486 1.00 0.00 C ATOM 1224 C LEU B 19 8.434 -2.195 -6.627 1.00 0.00 C ATOM 1225 O LEU B 19 7.848 -1.127 -6.467 1.00 0.00 O ATOM 1226 CB LEU B 19 6.456 -3.487 -7.416 1.00 0.00 C ATOM 1227 CG LEU B 19 5.759 -4.851 -7.488 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.453 -4.713 -8.263 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.641 -5.854 -8.207 1.00 0.00 C ATOM 0 H LEU B 19 6.266 -3.819 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 19 8.323 -4.346 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.748 -2.737 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.768 -3.186 -8.416 1.00 0.00 H new ATOM 0 HG LEU B 19 5.564 -5.197 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.957 -5.682 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.803 -3.999 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.664 -4.359 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.134 -6.818 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.841 -5.503 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.582 -5.963 -7.668 1.00 0.00 H new ATOM 1241 N PRO B 20 9.720 -2.248 -6.902 1.00 0.00 N ATOM 1242 CA PRO B 20 10.561 -1.030 -7.041 1.00 0.00 C ATOM 1243 C PRO B 20 10.397 -0.308 -8.383 1.00 0.00 C ATOM 1244 O PRO B 20 10.877 0.818 -8.533 1.00 0.00 O ATOM 1245 CB PRO B 20 11.998 -1.557 -6.883 1.00 0.00 C ATOM 1246 CG PRO B 20 11.910 -3.029 -6.655 1.00 0.00 C ATOM 1247 CD PRO B 20 10.530 -3.458 -7.113 1.00 0.00 C ATOM 0 HA PRO B 20 10.277 -0.280 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.586 -1.341 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.497 -1.068 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.684 -3.554 -7.214 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.060 -3.267 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.530 -3.767 -8.158 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.156 -4.301 -6.532 1.00 0.00 H new ATOM 1255 N ASN B 21 9.743 -0.949 -9.359 1.00 0.00 N ATOM 1256 CA ASN B 21 9.570 -0.329 -10.672 1.00 0.00 C ATOM 1257 C ASN B 21 8.253 0.442 -10.761 1.00 0.00 C ATOM 1258 O ASN B 21 8.111 1.320 -11.615 1.00 0.00 O ATOM 1259 CB ASN B 21 9.639 -1.390 -11.775 1.00 0.00 C ATOM 1260 CG ASN B 21 10.947 -2.175 -11.685 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.958 -3.438 -12.004 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.987 -1.624 -11.322 1.00 0.00 N flip ATOM 0 H ASN B 21 9.333 -1.878 -9.266 1.00 0.00 H new ATOM 0 HA ASN B 21 10.383 0.384 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.793 -2.071 -11.685 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.562 -0.913 -12.752 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.980 -0.635 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.855 -2.157 -11.271 1.00 0.00 H new ATOM 1269 N LEU B 22 7.290 0.127 -9.880 1.00 0.00 N ATOM 1270 CA LEU B 22 6.009 0.835 -9.903 1.00 0.00 C ATOM 1271 C LEU B 22 6.161 2.270 -9.425 1.00 0.00 C ATOM 1272 O LEU B 22 7.030 2.586 -8.612 1.00 0.00 O ATOM 1273 CB LEU B 22 4.954 0.154 -9.006 1.00 0.00 C ATOM 1274 CG LEU B 22 4.645 -1.272 -9.462 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.355 -1.764 -8.795 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.459 -1.288 -10.958 1.00 0.00 C ATOM 0 H LEU B 22 7.373 -0.594 -9.163 1.00 0.00 H new ATOM 0 HA LEU B 22 5.677 0.813 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.312 0.135 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.037 0.743 -9.014 1.00 0.00 H new ATOM 0 HG LEU B 22 5.472 -1.924 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.140 -2.781 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.478 -1.751 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.529 -1.110 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.238 -2.304 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.632 -0.631 -11.229 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.372 -0.940 -11.442 1.00 0.00 H new ATOM 1288 N ASN B 23 5.270 3.118 -9.916 1.00 0.00 N ATOM 1289 CA ASN B 23 5.238 4.517 -9.523 1.00 0.00 C ATOM 1290 C ASN B 23 4.444 4.601 -8.217 1.00 0.00 C ATOM 1291 O ASN B 23 3.608 3.738 -7.951 1.00 0.00 O ATOM 1292 CB ASN B 23 4.589 5.316 -10.691 1.00 0.00 C ATOM 1293 CG ASN B 23 3.591 6.383 -10.251 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.800 7.079 -9.275 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.507 6.560 -10.952 1.00 0.00 N ATOM 0 H ASN B 23 4.554 2.857 -10.594 1.00 0.00 H new ATOM 0 HA ASN B 23 6.225 4.943 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.379 5.793 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.083 4.616 -11.356 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.837 7.280 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.328 5.978 -11.771 1.00 0.00 H new ATOM 1302 N SER B 24 4.698 5.628 -7.405 1.00 0.00 N ATOM 1303 CA SER B 24 3.977 5.774 -6.137 1.00 0.00 C ATOM 1304 C SER B 24 2.488 5.893 -6.422 1.00 0.00 C ATOM 1305 O SER B 24 1.661 5.250 -5.777 1.00 0.00 O ATOM 1306 CB SER B 24 4.466 7.008 -5.370 1.00 0.00 C ATOM 1307 OG SER B 24 5.560 7.603 -6.058 1.00 0.00 O ATOM 0 H SER B 24 5.384 6.359 -7.596 1.00 0.00 H new ATOM 0 HA SER B 24 4.166 4.896 -5.519 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.654 7.728 -5.267 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.770 6.724 -4.362 1.00 0.00 H new ATOM 0 HG SER B 24 6.370 7.529 -5.511 1.00 0.00 H new ATOM 1313 N LEU B 25 2.175 6.694 -7.434 1.00 0.00 N ATOM 1314 CA LEU B 25 0.807 6.883 -7.870 1.00 0.00 C ATOM 1315 C LEU B 25 0.291 5.610 -8.528 1.00 0.00 C ATOM 1316 O LEU B 25 -0.881 5.260 -8.378 1.00 0.00 O ATOM 1317 CB LEU B 25 0.712 8.067 -8.846 1.00 0.00 C ATOM 1318 CG LEU B 25 0.072 9.257 -8.155 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.015 10.443 -9.124 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.321 8.847 -7.694 1.00 0.00 C ATOM 0 H LEU B 25 2.862 7.225 -7.969 1.00 0.00 H new ATOM 0 HA LEU B 25 0.189 7.106 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.706 8.335 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.124 7.783 -9.719 1.00 0.00 H new ATOM 0 HG LEU B 25 0.672 9.563 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.476 11.292 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.987 10.717 -9.454 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.618 10.164 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.801 9.688 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.917 8.550 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.243 8.009 -7.001 1.00 0.00 H new ATOM 1332 N GLN B 26 1.182 4.896 -9.228 1.00 0.00 N ATOM 1333 CA GLN B 26 0.792 3.632 -9.863 1.00 0.00 C ATOM 1334 C GLN B 26 0.410 2.642 -8.782 1.00 0.00 C ATOM 1335 O GLN B 26 -0.531 1.865 -8.921 1.00 0.00 O ATOM 1336 CB GLN B 26 1.954 3.024 -10.647 1.00 0.00 C ATOM 1337 CG GLN B 26 1.821 3.285 -12.153 1.00 0.00 C ATOM 1338 CD GLN B 26 3.015 2.677 -12.877 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.856 1.930 -12.214 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.180 2.874 -14.080 1.00 0.00 N flip ATOM 0 H GLN B 26 2.156 5.164 -9.367 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.037 3.835 -10.541 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.894 3.442 -10.287 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.993 1.950 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.894 2.851 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.772 4.357 -12.345 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.522 3.458 -14.596 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.975 2.453 -14.561 1.00 0.00 H new ATOM 1349 N VAL B 27 1.169 2.697 -7.696 1.00 0.00 N ATOM 1350 CA VAL B 27 0.940 1.826 -6.563 1.00 0.00 C ATOM 1351 C VAL B 27 -0.398 2.158 -5.956 1.00 0.00 C ATOM 1352 O VAL B 27 -1.194 1.269 -5.675 1.00 0.00 O ATOM 1353 CB VAL B 27 2.093 1.963 -5.560 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.765 1.230 -4.248 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.348 1.350 -6.199 1.00 0.00 C ATOM 0 H VAL B 27 1.951 3.341 -7.581 1.00 0.00 H new ATOM 0 HA VAL B 27 0.915 0.782 -6.877 1.00 0.00 H new ATOM 0 HB VAL B 27 2.254 3.015 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.596 1.341 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.864 1.657 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.602 0.172 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.186 1.433 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.166 0.299 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.584 1.882 -7.121 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.667 3.448 -5.831 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.939 3.906 -5.336 1.00 0.00 C ATOM 1367 C VAL B 28 -3.034 3.394 -6.276 1.00 0.00 C ATOM 1368 O VAL B 28 -4.135 3.082 -5.844 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.965 5.439 -5.261 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.334 5.883 -4.746 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.862 5.941 -4.311 1.00 0.00 C ATOM 0 H VAL B 28 -0.013 4.193 -6.069 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.107 3.523 -4.330 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.787 5.857 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.366 6.971 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.110 5.533 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.504 5.462 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.889 7.030 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.026 5.531 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.111 5.618 -4.680 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.701 3.303 -7.569 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.636 2.818 -8.577 1.00 0.00 C ATOM 1383 C ALA B 29 -4.057 1.396 -8.242 1.00 0.00 C ATOM 1384 O ALA B 29 -5.243 1.057 -8.288 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.958 2.842 -9.957 1.00 0.00 C ATOM 0 H ALA B 29 -1.786 3.561 -7.938 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.517 3.460 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.656 2.480 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.660 3.862 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.077 2.201 -9.940 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.071 0.573 -7.884 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.319 -0.790 -7.528 1.00 0.00 C ATOM 1393 C PHE B 30 -3.990 -0.858 -6.157 1.00 0.00 C ATOM 1394 O PHE B 30 -4.970 -1.574 -5.991 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.981 -1.547 -7.572 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.468 -1.555 -9.012 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.258 -2.093 -10.052 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.221 -0.975 -9.328 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.800 -2.052 -11.367 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.216 -0.935 -10.649 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.570 -1.472 -11.666 1.00 0.00 C ATOM 0 H PHE B 30 -2.090 0.848 -7.838 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.005 -1.262 -8.231 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.255 -1.069 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.112 -2.567 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.217 -2.536 -9.828 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.395 -0.561 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.402 -2.472 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.169 -0.486 -10.887 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.225 -1.438 -12.689 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.496 -0.070 -5.195 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.091 -0.043 -3.855 1.00 0.00 C ATOM 1413 C ILE B 31 -5.568 0.354 -3.958 1.00 0.00 C ATOM 1414 O ILE B 31 -6.440 -0.295 -3.381 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.327 0.953 -2.958 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.868 0.490 -2.779 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.987 1.025 -1.578 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.036 1.622 -2.158 1.00 0.00 C ATOM 0 H ILE B 31 -2.696 0.550 -5.317 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.021 -1.035 -3.408 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.349 1.934 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.833 -0.392 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.447 0.203 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.442 1.730 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.019 1.358 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.970 0.039 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.005 1.290 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.060 2.493 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.451 1.888 -1.186 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.832 1.404 -4.725 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.204 1.881 -4.942 1.00 0.00 C ATOM 1432 C ASN B 32 -8.084 0.787 -5.554 1.00 0.00 C ATOM 1433 O ASN B 32 -9.289 0.749 -5.300 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.222 3.087 -5.900 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.082 4.403 -5.142 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.196 5.275 -5.532 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.809 4.651 -4.181 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.117 1.946 -5.211 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.593 2.167 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.410 2.993 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.153 3.089 -6.467 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.502 3.968 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.718 5.540 -3.689 1.00 0.00 H new ATOM 1444 N SER B 33 -7.485 -0.094 -6.366 1.00 0.00 N ATOM 1445 CA SER B 33 -8.233 -1.154 -7.000 1.00 0.00 C ATOM 1446 C SER B 33 -8.546 -2.243 -5.991 1.00 0.00 C ATOM 1447 O SER B 33 -9.577 -2.902 -6.091 1.00 0.00 O ATOM 1448 CB SER B 33 -7.490 -1.664 -8.220 1.00 0.00 C ATOM 1449 OG SER B 33 -7.829 -0.861 -9.345 1.00 0.00 O ATOM 0 H SER B 33 -6.490 -0.083 -6.590 1.00 0.00 H new ATOM 0 HA SER B 33 -9.189 -0.772 -7.358 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.415 -1.631 -8.046 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.750 -2.705 -8.410 1.00 0.00 H new ATOM 0 HG SER B 33 -7.350 -1.186 -10.135 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.682 -2.398 -4.979 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.955 -3.376 -3.927 1.00 0.00 C ATOM 1457 C LEU B 34 -9.227 -2.906 -3.245 1.00 0.00 C ATOM 1458 O LEU B 34 -10.154 -3.675 -3.002 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.820 -3.434 -2.894 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.455 -3.408 -3.591 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.350 -3.634 -2.590 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.385 -4.491 -4.631 1.00 0.00 C ATOM 0 H LEU B 34 -6.814 -1.874 -4.870 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.048 -4.375 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.901 -2.590 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.912 -4.340 -2.295 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.333 -2.432 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.387 -3.613 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.378 -2.849 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.486 -4.604 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.411 -4.463 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.525 -5.462 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.168 -4.334 -5.373 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.259 -1.591 -3.006 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.424 -0.927 -2.415 1.00 0.00 C ATOM 1476 C ARG B 35 -11.647 -1.212 -3.276 1.00 0.00 C ATOM 1477 O ARG B 35 -12.719 -1.550 -2.773 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.176 0.595 -2.410 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.178 1.165 -0.982 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.884 1.948 -0.734 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.627 2.057 0.697 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.365 2.847 1.470 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.527 2.439 1.893 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -8.928 4.028 1.804 1.00 0.00 N ATOM 0 H ARG B 35 -8.484 -0.961 -3.215 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.584 -1.291 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.220 0.810 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.945 1.091 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.041 1.816 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.269 0.356 -0.258 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.048 1.448 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.962 2.942 -1.173 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.867 1.517 1.112 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.869 1.515 1.631 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.095 3.044 2.486 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.018 4.348 1.472 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.496 4.633 2.397 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.447 -1.078 -4.585 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.496 -1.318 -5.563 1.00 0.00 C ATOM 1500 C ASP B 36 -12.930 -2.784 -5.543 1.00 0.00 C ATOM 1501 O ASP B 36 -14.119 -3.089 -5.643 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.969 -0.943 -6.959 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.664 0.562 -7.057 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.191 1.326 -6.261 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.898 0.928 -7.933 1.00 0.00 O ATOM 0 H ASP B 36 -10.554 -0.801 -4.993 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.364 -0.706 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.066 -1.514 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.706 -1.217 -7.714 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.946 -3.681 -5.411 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.206 -5.123 -5.380 1.00 0.00 C ATOM 1512 C ASP B 37 -11.113 -5.855 -4.607 1.00 0.00 C ATOM 1513 O ASP B 37 -10.059 -6.186 -5.160 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.283 -5.688 -6.808 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.419 -5.031 -7.589 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.549 -5.463 -7.428 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.145 -4.104 -8.334 1.00 0.00 O ATOM 0 H ASP B 37 -10.961 -3.432 -5.324 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.161 -5.278 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.337 -5.520 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.438 -6.766 -6.770 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.352 -6.125 -3.345 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.378 -6.850 -2.488 1.00 0.00 C ATOM 1524 C PRO B 38 -10.233 -8.310 -2.904 1.00 0.00 C ATOM 1525 O PRO B 38 -9.183 -8.923 -2.696 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.944 -6.748 -1.074 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.211 -5.956 -1.142 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.576 -5.772 -2.609 1.00 0.00 C ATOM 0 HA PRO B 38 -9.380 -6.419 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.136 -7.741 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.227 -6.265 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.012 -6.473 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.081 -4.988 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.409 -6.415 -2.894 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.881 -4.746 -2.816 1.00 0.00 H new ATOM 1536 N SER B 39 -11.293 -8.854 -3.504 1.00 0.00 N ATOM 1537 CA SER B 39 -11.284 -10.233 -3.964 1.00 0.00 C ATOM 1538 C SER B 39 -10.242 -10.382 -5.060 1.00 0.00 C ATOM 1539 O SER B 39 -9.504 -11.367 -5.100 1.00 0.00 O ATOM 1540 CB SER B 39 -12.668 -10.619 -4.493 1.00 0.00 C ATOM 1541 OG SER B 39 -12.654 -11.977 -4.912 1.00 0.00 O ATOM 0 H SER B 39 -12.166 -8.356 -3.680 1.00 0.00 H new ATOM 0 HA SER B 39 -11.036 -10.895 -3.134 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.419 -10.475 -3.716 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.943 -9.973 -5.327 1.00 0.00 H new ATOM 0 HG SER B 39 -12.668 -12.017 -5.891 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.181 -9.373 -5.935 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.218 -9.367 -7.018 1.00 0.00 C ATOM 1549 C GLN B 40 -8.023 -8.509 -6.653 1.00 0.00 C ATOM 1550 O GLN B 40 -7.329 -8.011 -7.535 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.834 -8.881 -8.341 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.358 -9.070 -8.344 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.716 -10.558 -8.321 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.758 -10.957 -7.647 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -11.034 -11.378 -8.937 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.790 -8.555 -5.907 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.894 -10.397 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.595 -7.828 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.395 -9.430 -9.174 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.793 -8.572 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.786 -8.601 -9.230 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.218 -11.069 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.285 -12.366 -8.919 1.00 0.00 H new ATOM 1564 N SER B 41 -7.763 -8.348 -5.351 1.00 0.00 N ATOM 1565 CA SER B 41 -6.621 -7.561 -4.927 1.00 0.00 C ATOM 1566 C SER B 41 -5.364 -8.120 -5.574 1.00 0.00 C ATOM 1567 O SER B 41 -4.418 -7.398 -5.871 1.00 0.00 O ATOM 1568 CB SER B 41 -6.492 -7.627 -3.395 1.00 0.00 C ATOM 1569 OG SER B 41 -5.291 -6.993 -2.970 1.00 0.00 O ATOM 0 H SER B 41 -8.319 -8.746 -4.594 1.00 0.00 H new ATOM 0 HA SER B 41 -6.755 -6.522 -5.229 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.351 -7.142 -2.930 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.497 -8.667 -3.068 1.00 0.00 H new ATOM 0 HG SER B 41 -5.505 -6.279 -2.334 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.411 -9.419 -5.791 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.338 -10.164 -6.423 1.00 0.00 C ATOM 1577 C ALA B 42 -4.277 -9.880 -7.928 1.00 0.00 C ATOM 1578 O ALA B 42 -3.230 -10.036 -8.549 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.599 -11.653 -6.212 1.00 0.00 C ATOM 0 H ALA B 42 -6.209 -9.997 -5.529 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.390 -9.862 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.803 -12.232 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.626 -11.870 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.555 -11.922 -6.661 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.430 -9.506 -8.498 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.564 -9.242 -9.928 1.00 0.00 C ATOM 1587 C ASN B 43 -4.859 -7.976 -10.361 1.00 0.00 C ATOM 1588 O ASN B 43 -4.044 -7.992 -11.276 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.026 -9.097 -10.248 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.252 -9.086 -11.758 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.477 -8.029 -12.345 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.201 -10.206 -12.425 1.00 0.00 N ATOM 0 H ASN B 43 -6.296 -9.379 -7.975 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.105 -10.076 -10.460 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.584 -9.918 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.409 -8.174 -9.812 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.348 -10.206 -13.434 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.014 -11.082 -11.937 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.174 -6.877 -9.692 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.552 -5.627 -10.011 1.00 0.00 C ATOM 1601 C LEU B 44 -3.135 -5.676 -9.467 1.00 0.00 C ATOM 1602 O LEU B 44 -2.222 -5.074 -10.009 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.406 -4.412 -9.568 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.531 -4.238 -8.063 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.428 -5.312 -7.483 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.177 -4.199 -7.385 1.00 0.00 C ATOM 0 H LEU B 44 -5.853 -6.838 -8.932 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.487 -5.476 -11.089 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.971 -3.506 -9.990 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.405 -4.513 -9.993 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.996 -3.271 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.509 -5.175 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.418 -5.241 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.003 -6.294 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.312 -4.073 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.647 -5.131 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.597 -3.364 -7.778 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.953 -6.486 -8.425 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.634 -6.714 -7.880 1.00 0.00 C ATOM 1620 C LEU B 45 -0.864 -7.402 -8.988 1.00 0.00 C ATOM 1621 O LEU B 45 0.312 -7.148 -9.228 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.726 -7.632 -6.653 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.425 -8.424 -6.462 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.731 -7.454 -6.249 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.554 -9.365 -5.255 1.00 0.00 C ATOM 0 H LEU B 45 -3.703 -6.988 -7.950 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.154 -5.789 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.928 -7.036 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.562 -8.321 -6.772 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.233 -9.023 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.656 -8.014 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.825 -6.804 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.540 -6.849 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.374 -9.923 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.752 -8.780 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.376 -10.061 -5.423 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.601 -8.251 -9.690 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.060 -8.968 -10.823 1.00 0.00 C ATOM 1639 C ALA B 46 -0.660 -7.933 -11.858 1.00 0.00 C ATOM 1640 O ALA B 46 0.432 -7.978 -12.419 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.119 -9.923 -11.401 1.00 0.00 C ATOM 0 H ALA B 46 -2.580 -8.457 -9.489 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.200 -9.568 -10.528 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.700 -10.457 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.420 -10.639 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.988 -9.350 -11.723 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.556 -6.962 -12.046 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.323 -5.857 -12.954 1.00 0.00 C ATOM 1649 C GLU B 47 -0.108 -5.064 -12.489 1.00 0.00 C ATOM 1650 O GLU B 47 0.625 -4.505 -13.297 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.536 -4.909 -12.978 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.785 -5.593 -13.526 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.532 -6.205 -14.907 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.050 -5.497 -15.777 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.829 -7.376 -15.071 1.00 0.00 O ATOM 0 H GLU B 47 -2.458 -6.927 -11.571 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.158 -6.264 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.734 -4.548 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.303 -4.037 -13.589 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.107 -6.372 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.598 -4.870 -13.591 1.00 0.00 H new ATOM 1662 N ALA B 48 0.069 -5.003 -11.167 1.00 0.00 N ATOM 1663 CA ALA B 48 1.156 -4.263 -10.564 1.00 0.00 C ATOM 1664 C ALA B 48 2.478 -4.946 -10.786 1.00 0.00 C ATOM 1665 O ALA B 48 3.438 -4.329 -11.214 1.00 0.00 O ATOM 1666 CB ALA B 48 0.910 -4.215 -9.069 1.00 0.00 C ATOM 0 H ALA B 48 -0.541 -5.468 -10.494 1.00 0.00 H new ATOM 0 HA ALA B 48 1.193 -3.270 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.715 -3.662 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.040 -3.719 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.878 -5.230 -8.673 1.00 0.00 H new ATOM 1672 N LYS B 49 2.504 -6.232 -10.508 1.00 0.00 N ATOM 1673 CA LYS B 49 3.704 -7.015 -10.696 1.00 0.00 C ATOM 1674 C LYS B 49 4.068 -6.979 -12.173 1.00 0.00 C ATOM 1675 O LYS B 49 5.240 -6.909 -12.540 1.00 0.00 O ATOM 1676 CB LYS B 49 3.451 -8.429 -10.180 1.00 0.00 C ATOM 1677 CG LYS B 49 3.474 -8.439 -8.648 1.00 0.00 C ATOM 1678 CD LYS B 49 3.396 -9.888 -8.145 1.00 0.00 C ATOM 1679 CE LYS B 49 2.001 -10.471 -8.418 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.485 -11.128 -7.185 1.00 0.00 N ATOM 0 H LYS B 49 1.706 -6.757 -10.151 1.00 0.00 H new ATOM 0 HA LYS B 49 4.548 -6.613 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.487 -8.789 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.210 -9.108 -10.568 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.386 -7.965 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.636 -7.861 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.155 -10.494 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.609 -9.922 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.320 -9.680 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.050 -11.193 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.450 -11.037 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.744 -12.135 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.900 -10.671 -6.348 1.00 0.00 H new ATOM 1694 N LYS B 50 3.026 -6.951 -13.005 1.00 0.00 N ATOM 1695 CA LYS B 50 3.188 -6.836 -14.448 1.00 0.00 C ATOM 1696 C LYS B 50 3.659 -5.440 -14.816 1.00 0.00 C ATOM 1697 O LYS B 50 4.476 -5.276 -15.712 1.00 0.00 O ATOM 1698 CB LYS B 50 1.874 -7.120 -15.163 1.00 0.00 C ATOM 1699 CG LYS B 50 1.612 -8.636 -15.199 1.00 0.00 C ATOM 1700 CD LYS B 50 0.464 -8.951 -16.169 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.861 -8.406 -15.623 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.993 -9.038 -16.353 1.00 0.00 N ATOM 0 H LYS B 50 2.055 -7.007 -12.697 1.00 0.00 H new ATOM 0 HA LYS B 50 3.932 -7.569 -14.760 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.055 -6.613 -14.652 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.910 -6.724 -16.178 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.515 -9.162 -15.509 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.363 -8.994 -14.200 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.672 -8.510 -17.144 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.389 -10.028 -16.316 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.940 -8.614 -14.556 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.897 -7.323 -15.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.887 -8.597 -16.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.864 -8.905 -17.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.021 -10.055 -16.137 1.00 0.00 H new ATOM 1716 N LEU B 51 3.134 -4.430 -14.118 1.00 0.00 N ATOM 1717 CA LEU B 51 3.525 -3.050 -14.388 1.00 0.00 C ATOM 1718 C LEU B 51 4.953 -2.849 -13.969 1.00 0.00 C ATOM 1719 O LEU B 51 5.747 -2.229 -14.674 1.00 0.00 O ATOM 1720 CB LEU B 51 2.621 -2.068 -13.634 1.00 0.00 C ATOM 1721 CG LEU B 51 1.724 -1.337 -14.627 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.584 -0.384 -15.473 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.997 -2.359 -15.525 1.00 0.00 C ATOM 0 H LEU B 51 2.447 -4.542 -13.372 1.00 0.00 H new ATOM 0 HA LEU B 51 3.421 -2.859 -15.456 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.013 -2.603 -12.905 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.227 -1.352 -13.079 1.00 0.00 H new ATOM 0 HG LEU B 51 0.972 -0.757 -14.092 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.950 0.143 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.075 0.339 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.338 -0.957 -16.013 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.357 -1.831 -16.233 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.732 -2.951 -16.071 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.388 -3.018 -14.907 1.00 0.00 H new ATOM 1735 N ASN B 52 5.273 -3.432 -12.833 1.00 0.00 N ATOM 1736 CA ASN B 52 6.625 -3.381 -12.325 1.00 0.00 C ATOM 1737 C ASN B 52 7.499 -4.061 -13.346 1.00 0.00 C ATOM 1738 O ASN B 52 8.595 -3.600 -13.662 1.00 0.00 O ATOM 1739 CB ASN B 52 6.711 -4.098 -10.982 1.00 0.00 C ATOM 1740 CG ASN B 52 8.161 -4.202 -10.524 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.623 -3.411 -9.707 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.907 -5.139 -11.020 1.00 0.00 N ATOM 0 H ASN B 52 4.616 -3.945 -12.246 1.00 0.00 H new ATOM 0 HA ASN B 52 6.946 -2.352 -12.165 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.126 -3.559 -10.237 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.278 -5.095 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.882 -5.221 -10.732 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.519 -5.794 -11.699 1.00 0.00 H new ATOM 1749 N ASP B 53 6.956 -5.144 -13.891 1.00 0.00 N ATOM 1750 CA ASP B 53 7.650 -5.884 -14.932 1.00 0.00 C ATOM 1751 C ASP B 53 7.738 -5.022 -16.187 1.00 0.00 C ATOM 1752 O ASP B 53 8.728 -5.056 -16.910 1.00 0.00 O ATOM 1753 CB ASP B 53 6.917 -7.187 -15.265 1.00 0.00 C ATOM 1754 CG ASP B 53 7.763 -8.026 -16.223 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.587 -8.787 -15.744 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.584 -7.883 -17.423 1.00 0.00 O ATOM 0 H ASP B 53 6.046 -5.524 -13.631 1.00 0.00 H new ATOM 0 HA ASP B 53 8.648 -6.132 -14.572 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.721 -7.748 -14.352 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.950 -6.966 -15.717 1.00 0.00 H new ATOM 1761 N ALA B 54 6.674 -4.255 -16.426 1.00 0.00 N ATOM 1762 CA ALA B 54 6.591 -3.377 -17.585 1.00 0.00 C ATOM 1763 C ALA B 54 7.659 -2.292 -17.512 1.00 0.00 C ATOM 1764 O ALA B 54 8.264 -1.934 -18.524 1.00 0.00 O ATOM 1765 CB ALA B 54 5.200 -2.742 -17.632 1.00 0.00 C ATOM 0 H ALA B 54 5.852 -4.227 -15.823 1.00 0.00 H new ATOM 0 HA ALA B 54 6.760 -3.960 -18.490 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.130 -2.083 -18.497 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.445 -3.525 -17.710 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.032 -2.165 -16.722 1.00 0.00 H new ATOM 1771 N GLN B 55 7.885 -1.783 -16.301 1.00 0.00 N ATOM 1772 CA GLN B 55 8.882 -0.743 -16.075 1.00 0.00 C ATOM 1773 C GLN B 55 10.240 -1.345 -15.714 1.00 0.00 C ATOM 1774 O GLN B 55 11.227 -0.621 -15.567 1.00 0.00 O ATOM 1775 CB GLN B 55 8.405 0.150 -14.950 1.00 0.00 C ATOM 1776 CG GLN B 55 7.127 0.877 -15.364 1.00 0.00 C ATOM 1777 CD GLN B 55 6.288 1.160 -14.130 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.873 0.157 -13.408 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.011 2.315 -13.811 1.00 0.00 N flip ATOM 0 H GLN B 55 7.388 -2.077 -15.460 1.00 0.00 H new ATOM 0 HA GLN B 55 9.005 -0.168 -16.993 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.221 -0.445 -14.056 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.179 0.874 -14.697 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.374 1.809 -15.872 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.562 0.269 -16.071 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.340 3.094 -14.381 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.453 2.494 -12.976 1.00 0.00 H new ATOM 1788 N ALA B 56 10.280 -2.672 -15.567 1.00 0.00 N ATOM 1789 CA ALA B 56 11.522 -3.363 -15.213 1.00 0.00 C ATOM 1790 C ALA B 56 12.551 -3.260 -16.331 1.00 0.00 C ATOM 1791 O ALA B 56 12.223 -2.888 -17.458 1.00 0.00 O ATOM 1792 CB ALA B 56 11.252 -4.838 -14.915 1.00 0.00 C ATOM 0 H ALA B 56 9.474 -3.285 -15.687 1.00 0.00 H new ATOM 0 HA ALA B 56 11.920 -2.878 -14.322 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.187 -5.334 -14.654 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.554 -4.919 -14.082 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.822 -5.314 -15.796 1.00 0.00 H new