USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 GLN : amide:sc= 1.11 K(o=2.5,f=-2.3) USER MOD Set 1.2: A 53 GLN : amide:sc= 1.43 K(o=2.5,f=-2.3) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.464 K(o=1,f=-0.35) USER MOD Set 2.2: A 13 GLN : amide:sc= 0.545 K(o=1,f=-0.79) USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 HIS : no HE2:sc= -0.469 K(o=-0.47,f=-2.4) USER MOD Single : A 2 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.089) USER MOD Single : A 7 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 8 GLN : amide:sc= -1.24 K(o=-1.2,f=-6.1!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.514 K(o=0.51,f=-0.11) USER MOD Single : A 21 ASN : amide:sc= 0.0821 K(o=0.082,f=-5.6!) USER MOD Single : A 26 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.13) USER MOD Single : A 30 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.41) USER MOD Single : A 31 SER OG : rot 71:sc= 0.734 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0142) USER MOD Single : A 37 SER OG : rot -47:sc= 0.937 USER MOD Single : A 38 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.306 X(o=0.31,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0129) USER MOD Single : A 50 ASN : amide:sc= 0.6 K(o=0.6,f=-4!) USER MOD Single : A 52 SER OG : rot 10:sc= 0.355 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.154 3.671 -2.102 1.00 0.00 N ATOM 2 CA ALA A 1 -15.145 3.505 -3.567 1.00 0.00 C ATOM 3 C ALA A 1 -16.102 4.477 -4.256 1.00 0.00 C ATOM 4 O ALA A 1 -15.684 5.249 -5.116 1.00 0.00 O ATOM 5 CB ALA A 1 -15.473 2.060 -3.956 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.492 2.994 -1.672 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.864 4.640 -1.861 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.113 3.496 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.137 3.737 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.460 1.964 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.731 1.389 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.462 1.798 -3.580 1.00 0.00 H new ATOM 13 N GLN A 2 -17.384 4.436 -3.873 1.00 0.00 N ATOM 14 CA GLN A 2 -18.446 5.216 -4.496 1.00 0.00 C ATOM 15 C GLN A 2 -18.417 6.662 -3.993 1.00 0.00 C ATOM 16 O GLN A 2 -19.290 7.089 -3.239 1.00 0.00 O ATOM 17 CB GLN A 2 -19.803 4.538 -4.246 1.00 0.00 C ATOM 18 CG GLN A 2 -19.859 3.086 -4.743 1.00 0.00 C ATOM 19 CD GLN A 2 -19.564 2.964 -6.237 1.00 0.00 C ATOM 20 OE1 GLN A 2 -20.462 3.106 -7.062 1.00 0.00 O ATOM 21 NE2 GLN A 2 -18.305 2.696 -6.591 1.00 0.00 N ATOM 0 H GLN A 2 -17.712 3.847 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 2 -18.288 5.253 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -20.019 4.557 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -20.585 5.114 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -19.140 2.487 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -20.846 2.673 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.587 2.585 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.061 2.602 -7.577 1.00 0.00 H new ATOM 30 N HIS A 3 -17.400 7.409 -4.432 1.00 0.00 N ATOM 31 CA HIS A 3 -17.200 8.822 -4.154 1.00 0.00 C ATOM 32 C HIS A 3 -16.225 9.375 -5.198 1.00 0.00 C ATOM 33 O HIS A 3 -16.017 8.751 -6.239 1.00 0.00 O ATOM 34 CB HIS A 3 -16.698 9.016 -2.712 1.00 0.00 C ATOM 35 CG HIS A 3 -15.290 8.529 -2.466 1.00 0.00 C ATOM 36 ND1 HIS A 3 -14.938 7.190 -2.527 1.00 0.00 N ATOM 37 CD2 HIS A 3 -14.130 9.193 -2.146 1.00 0.00 C ATOM 38 CE1 HIS A 3 -13.629 7.107 -2.234 1.00 0.00 C ATOM 39 NE2 HIS A 3 -13.078 8.297 -1.990 1.00 0.00 N ATOM 0 H HIS A 3 -16.662 7.020 -5.019 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.138 9.373 -4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.751 10.076 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.373 8.495 -2.033 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -15.558 6.412 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.047 10.264 -2.031 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.082 6.176 -2.200 1.00 0.00 H new ATOM 47 N ASP A 4 -15.607 10.529 -4.918 1.00 0.00 N ATOM 48 CA ASP A 4 -14.561 11.123 -5.742 1.00 0.00 C ATOM 49 C ASP A 4 -13.226 10.398 -5.519 1.00 0.00 C ATOM 50 O ASP A 4 -12.223 11.013 -5.163 1.00 0.00 O ATOM 51 CB ASP A 4 -14.480 12.632 -5.452 1.00 0.00 C ATOM 52 CG ASP A 4 -14.148 12.954 -3.993 1.00 0.00 C ATOM 53 OD1 ASP A 4 -15.006 12.657 -3.133 1.00 0.00 O ATOM 54 OD2 ASP A 4 -13.045 13.496 -3.761 1.00 0.00 O ATOM 0 H ASP A 4 -15.830 11.084 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.802 11.004 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.722 13.078 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.432 13.096 -5.711 1.00 0.00 H new ATOM 59 N GLU A 5 -13.214 9.076 -5.740 1.00 0.00 N ATOM 60 CA GLU A 5 -12.063 8.225 -5.476 1.00 0.00 C ATOM 61 C GLU A 5 -10.853 8.573 -6.347 1.00 0.00 C ATOM 62 O GLU A 5 -9.723 8.280 -5.964 1.00 0.00 O ATOM 63 CB GLU A 5 -12.449 6.743 -5.580 1.00 0.00 C ATOM 64 CG GLU A 5 -12.826 6.300 -7.000 1.00 0.00 C ATOM 65 CD GLU A 5 -13.279 4.841 -7.034 1.00 0.00 C ATOM 66 OE1 GLU A 5 -12.639 4.021 -6.339 1.00 0.00 O ATOM 67 OE2 GLU A 5 -14.260 4.566 -7.759 1.00 0.00 O ATOM 0 H GLU A 5 -14.017 8.569 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.747 8.417 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.616 6.135 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.289 6.548 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.624 6.938 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.970 6.431 -7.662 1.00 0.00 H new ATOM 74 N ALA A 6 -11.087 9.211 -7.501 1.00 0.00 N ATOM 75 CA ALA A 6 -10.048 9.725 -8.381 1.00 0.00 C ATOM 76 C ALA A 6 -9.077 10.656 -7.646 1.00 0.00 C ATOM 77 O ALA A 6 -7.898 10.697 -7.989 1.00 0.00 O ATOM 78 CB ALA A 6 -10.702 10.458 -9.556 1.00 0.00 C ATOM 0 H ALA A 6 -12.029 9.385 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.463 8.881 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.928 10.846 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.339 9.766 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.304 11.285 -9.179 1.00 0.00 H new ATOM 84 N GLN A 7 -9.562 11.397 -6.640 1.00 0.00 N ATOM 85 CA GLN A 7 -8.733 12.297 -5.854 1.00 0.00 C ATOM 86 C GLN A 7 -7.788 11.494 -4.958 1.00 0.00 C ATOM 87 O GLN A 7 -6.573 11.669 -5.035 1.00 0.00 O ATOM 88 CB GLN A 7 -9.611 13.254 -5.033 1.00 0.00 C ATOM 89 CG GLN A 7 -10.591 14.056 -5.901 1.00 0.00 C ATOM 90 CD GLN A 7 -9.893 14.824 -7.020 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.057 14.500 -8.194 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.110 15.843 -6.661 1.00 0.00 N ATOM 0 H GLN A 7 -10.541 11.383 -6.355 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.125 12.902 -6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.172 12.681 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.972 13.944 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.325 13.377 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.138 14.757 -5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.001 16.079 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.621 16.386 -7.373 1.00 0.00 H new ATOM 101 N GLN A 8 -8.344 10.611 -4.117 1.00 0.00 N ATOM 102 CA GLN A 8 -7.585 9.787 -3.181 1.00 0.00 C ATOM 103 C GLN A 8 -7.175 8.445 -3.807 1.00 0.00 C ATOM 104 O GLN A 8 -7.148 7.419 -3.129 1.00 0.00 O ATOM 105 CB GLN A 8 -8.343 9.675 -1.842 1.00 0.00 C ATOM 106 CG GLN A 8 -9.777 9.119 -1.895 1.00 0.00 C ATOM 107 CD GLN A 8 -9.838 7.600 -2.037 1.00 0.00 C ATOM 108 OE1 GLN A 8 -10.264 7.086 -3.066 1.00 0.00 O ATOM 109 NE2 GLN A 8 -9.418 6.873 -1.000 1.00 0.00 N ATOM 0 H GLN A 8 -9.350 10.451 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.637 10.273 -2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.759 9.042 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.381 10.666 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.305 9.412 -0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.304 9.575 -2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.070 7.336 -0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.445 5.854 -1.047 1.00 0.00 H new ATOM 118 N ASN A 9 -6.834 8.456 -5.103 1.00 0.00 N ATOM 119 CA ASN A 9 -6.563 7.258 -5.881 1.00 0.00 C ATOM 120 C ASN A 9 -5.405 6.439 -5.314 1.00 0.00 C ATOM 121 O ASN A 9 -5.505 5.220 -5.260 1.00 0.00 O ATOM 122 CB ASN A 9 -6.332 7.623 -7.352 1.00 0.00 C ATOM 123 CG ASN A 9 -5.050 8.427 -7.566 1.00 0.00 C ATOM 124 OD1 ASN A 9 -5.035 9.638 -7.366 1.00 0.00 O ATOM 125 ND2 ASN A 9 -3.968 7.754 -7.966 1.00 0.00 N ATOM 0 H ASN A 9 -6.739 9.317 -5.642 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.443 6.618 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.287 6.710 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.182 8.199 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.088 8.247 -8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.022 6.747 -8.121 1.00 0.00 H new ATOM 132 N ALA A 10 -4.313 7.089 -4.890 1.00 0.00 N ATOM 133 CA ALA A 10 -3.146 6.398 -4.358 1.00 0.00 C ATOM 134 C ALA A 10 -3.527 5.569 -3.131 1.00 0.00 C ATOM 135 O ALA A 10 -3.233 4.377 -3.072 1.00 0.00 O ATOM 136 CB ALA A 10 -2.047 7.412 -4.034 1.00 0.00 C ATOM 0 H ALA A 10 -4.220 8.105 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.761 5.709 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.176 6.890 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.766 7.947 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.414 8.122 -3.293 1.00 0.00 H new ATOM 142 N PHE A 11 -4.202 6.202 -2.166 1.00 0.00 N ATOM 143 CA PHE A 11 -4.695 5.557 -0.957 1.00 0.00 C ATOM 144 C PHE A 11 -5.596 4.372 -1.313 1.00 0.00 C ATOM 145 O PHE A 11 -5.416 3.276 -0.782 1.00 0.00 O ATOM 146 CB PHE A 11 -5.453 6.579 -0.098 1.00 0.00 C ATOM 147 CG PHE A 11 -4.667 7.833 0.240 1.00 0.00 C ATOM 148 CD1 PHE A 11 -3.851 7.871 1.386 1.00 0.00 C ATOM 149 CD2 PHE A 11 -4.756 8.968 -0.587 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.162 9.050 1.722 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.064 10.144 -0.254 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.275 10.189 0.907 1.00 0.00 C ATOM 0 H PHE A 11 -4.422 7.197 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.849 5.177 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.364 6.868 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.758 6.097 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.754 6.994 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.359 8.935 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.545 9.080 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.139 11.013 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.756 11.098 1.173 1.00 0.00 H new ATOM 162 N TYR A 12 -6.555 4.596 -2.221 1.00 0.00 N ATOM 163 CA TYR A 12 -7.488 3.577 -2.678 1.00 0.00 C ATOM 164 C TYR A 12 -6.760 2.377 -3.283 1.00 0.00 C ATOM 165 O TYR A 12 -7.103 1.238 -2.983 1.00 0.00 O ATOM 166 CB TYR A 12 -8.463 4.182 -3.690 1.00 0.00 C ATOM 167 CG TYR A 12 -9.589 3.248 -4.079 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.682 3.076 -3.210 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.503 2.483 -5.257 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.682 2.137 -3.515 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.511 1.555 -5.569 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.599 1.379 -4.696 1.00 0.00 C ATOM 173 OH TYR A 12 -12.573 0.470 -4.987 1.00 0.00 O ATOM 0 H TYR A 12 -6.700 5.505 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.046 3.216 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.887 5.095 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.913 4.467 -4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.753 3.666 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.661 2.609 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.515 1.998 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.450 0.977 -6.479 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.367 0.031 -5.839 1.00 0.00 H new ATOM 183 N GLN A 13 -5.759 2.627 -4.131 1.00 0.00 N ATOM 184 CA GLN A 13 -4.970 1.585 -4.765 1.00 0.00 C ATOM 185 C GLN A 13 -4.243 0.752 -3.710 1.00 0.00 C ATOM 186 O GLN A 13 -4.296 -0.472 -3.778 1.00 0.00 O ATOM 187 CB GLN A 13 -3.999 2.203 -5.777 1.00 0.00 C ATOM 188 CG GLN A 13 -4.735 2.680 -7.036 1.00 0.00 C ATOM 189 CD GLN A 13 -3.841 3.567 -7.898 1.00 0.00 C ATOM 190 OE1 GLN A 13 -3.989 4.788 -7.907 1.00 0.00 O ATOM 191 NE2 GLN A 13 -2.910 2.955 -8.631 1.00 0.00 N ATOM 0 H GLN A 13 -5.476 3.571 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.632 0.912 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.478 3.043 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.241 1.469 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.064 1.818 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.630 3.232 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.819 1.940 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.289 3.502 -9.227 1.00 0.00 H new ATOM 200 N VAL A 14 -3.586 1.394 -2.732 1.00 0.00 N ATOM 201 CA VAL A 14 -2.897 0.686 -1.654 1.00 0.00 C ATOM 202 C VAL A 14 -3.866 -0.221 -0.882 1.00 0.00 C ATOM 203 O VAL A 14 -3.505 -1.355 -0.571 1.00 0.00 O ATOM 204 CB VAL A 14 -2.138 1.664 -0.738 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.494 0.921 0.442 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.010 2.364 -1.510 1.00 0.00 C ATOM 0 H VAL A 14 -3.520 2.410 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.145 0.034 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.864 2.392 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.964 1.633 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.269 0.424 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.792 0.178 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.486 3.051 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.310 1.618 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.433 2.920 -2.347 1.00 0.00 H new ATOM 216 N LEU A 15 -5.088 0.249 -0.589 1.00 0.00 N ATOM 217 CA LEU A 15 -6.120 -0.595 0.009 1.00 0.00 C ATOM 218 C LEU A 15 -6.437 -1.785 -0.903 1.00 0.00 C ATOM 219 O LEU A 15 -6.427 -2.929 -0.452 1.00 0.00 O ATOM 220 CB LEU A 15 -7.407 0.202 0.289 1.00 0.00 C ATOM 221 CG LEU A 15 -7.287 1.249 1.406 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.550 2.117 1.421 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.120 0.593 2.784 1.00 0.00 C ATOM 0 H LEU A 15 -5.381 1.211 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.731 -0.963 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.713 0.704 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.201 -0.498 0.550 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.403 1.854 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.470 2.862 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.658 2.619 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.422 1.488 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.038 1.366 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.985 -0.036 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.218 -0.018 2.789 1.00 0.00 H new ATOM 235 N ASN A 16 -6.721 -1.512 -2.183 1.00 0.00 N ATOM 236 CA ASN A 16 -7.130 -2.506 -3.166 1.00 0.00 C ATOM 237 C ASN A 16 -5.904 -3.201 -3.768 1.00 0.00 C ATOM 238 O ASN A 16 -5.642 -3.090 -4.964 1.00 0.00 O ATOM 239 CB ASN A 16 -8.014 -1.849 -4.240 1.00 0.00 C ATOM 240 CG ASN A 16 -9.394 -1.463 -3.703 1.00 0.00 C ATOM 241 OD1 ASN A 16 -10.379 -2.141 -3.981 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.480 -0.375 -2.936 1.00 0.00 N ATOM 0 H ASN A 16 -6.669 -0.568 -2.567 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.725 -3.277 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.514 -0.959 -4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.132 -2.535 -5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.383 -0.085 -2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.642 0.167 -2.724 1.00 0.00 H new ATOM 249 N MET A 17 -5.171 -3.937 -2.924 1.00 0.00 N ATOM 250 CA MET A 17 -4.076 -4.822 -3.300 1.00 0.00 C ATOM 251 C MET A 17 -4.301 -6.150 -2.567 1.00 0.00 C ATOM 252 O MET A 17 -4.355 -6.150 -1.338 1.00 0.00 O ATOM 253 CB MET A 17 -2.732 -4.190 -2.917 1.00 0.00 C ATOM 254 CG MET A 17 -2.253 -3.215 -3.995 1.00 0.00 C ATOM 255 SD MET A 17 -0.760 -2.285 -3.562 1.00 0.00 S ATOM 256 CE MET A 17 -0.749 -1.082 -4.914 1.00 0.00 C ATOM 0 H MET A 17 -5.337 -3.927 -1.918 1.00 0.00 H new ATOM 0 HA MET A 17 -4.052 -4.990 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.831 -3.666 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.987 -4.972 -2.773 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.064 -3.772 -4.912 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.055 -2.509 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.111 -0.421 -4.806 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.686 -1.607 -5.867 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.665 -0.492 -4.884 1.00 0.00 H new ATOM 266 N PRO A 18 -4.454 -7.278 -3.284 1.00 0.00 N ATOM 267 CA PRO A 18 -4.891 -8.542 -2.705 1.00 0.00 C ATOM 268 C PRO A 18 -3.844 -9.191 -1.797 1.00 0.00 C ATOM 269 O PRO A 18 -4.213 -9.845 -0.824 1.00 0.00 O ATOM 270 CB PRO A 18 -5.227 -9.443 -3.897 1.00 0.00 C ATOM 271 CG PRO A 18 -4.322 -8.911 -5.007 1.00 0.00 C ATOM 272 CD PRO A 18 -4.305 -7.410 -4.726 1.00 0.00 C ATOM 0 HA PRO A 18 -5.748 -8.379 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.022 -10.491 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.280 -9.374 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.323 -9.344 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.719 -9.134 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.373 -6.958 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.115 -6.904 -5.251 1.00 0.00 H new ATOM 280 N ASN A 19 -2.553 -9.029 -2.109 1.00 0.00 N ATOM 281 CA ASN A 19 -1.484 -9.762 -1.438 1.00 0.00 C ATOM 282 C ASN A 19 -0.977 -9.020 -0.200 1.00 0.00 C ATOM 283 O ASN A 19 -0.335 -9.640 0.647 1.00 0.00 O ATOM 284 CB ASN A 19 -0.331 -10.030 -2.412 1.00 0.00 C ATOM 285 CG ASN A 19 -0.795 -10.666 -3.722 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.677 -11.522 -3.730 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.203 -10.247 -4.841 1.00 0.00 N ATOM 0 H ASN A 19 -2.225 -8.388 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.896 -10.714 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.179 -9.092 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.397 -10.685 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.479 -10.639 -5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.526 -9.535 -4.797 1.00 0.00 H new ATOM 294 N LEU A 20 -1.258 -7.715 -0.074 1.00 0.00 N ATOM 295 CA LEU A 20 -0.924 -6.974 1.134 1.00 0.00 C ATOM 296 C LEU A 20 -1.852 -7.391 2.271 1.00 0.00 C ATOM 297 O LEU A 20 -3.058 -7.520 2.069 1.00 0.00 O ATOM 298 CB LEU A 20 -1.041 -5.459 0.924 1.00 0.00 C ATOM 299 CG LEU A 20 -0.118 -4.882 -0.157 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.204 -3.352 -0.117 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.341 -5.299 0.036 1.00 0.00 C ATOM 0 H LEU A 20 -1.715 -7.159 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 20 0.111 -7.207 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.073 -5.222 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.827 -4.959 1.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.450 -5.274 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.449 -2.931 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.231 -3.040 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.110 -2.995 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.951 -4.864 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.696 -4.945 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.417 -6.386 -0.003 1.00 0.00 H new ATOM 313 N ASN A 21 -1.286 -7.567 3.471 1.00 0.00 N ATOM 314 CA ASN A 21 -2.059 -7.768 4.689 1.00 0.00 C ATOM 315 C ASN A 21 -2.361 -6.410 5.329 1.00 0.00 C ATOM 316 O ASN A 21 -1.868 -5.382 4.867 1.00 0.00 O ATOM 317 CB ASN A 21 -1.319 -8.719 5.642 1.00 0.00 C ATOM 318 CG ASN A 21 0.031 -8.179 6.113 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.104 -7.108 6.709 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.107 -8.924 5.853 1.00 0.00 N ATOM 0 H ASN A 21 -0.277 -7.573 3.618 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.012 -8.242 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.948 -8.912 6.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.165 -9.675 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.030 -8.609 6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.007 -9.809 5.355 1.00 0.00 H new ATOM 327 N ALA A 22 -3.177 -6.415 6.391 1.00 0.00 N ATOM 328 CA ALA A 22 -3.622 -5.213 7.084 1.00 0.00 C ATOM 329 C ALA A 22 -2.445 -4.341 7.522 1.00 0.00 C ATOM 330 O ALA A 22 -2.376 -3.175 7.142 1.00 0.00 O ATOM 331 CB ALA A 22 -4.505 -5.597 8.274 1.00 0.00 C ATOM 0 H ALA A 22 -3.550 -7.274 6.795 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.211 -4.615 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.835 -4.694 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.374 -6.150 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.935 -6.220 8.964 1.00 0.00 H new ATOM 337 N ASP A 23 -1.519 -4.905 8.308 1.00 0.00 N ATOM 338 CA ASP A 23 -0.355 -4.193 8.822 1.00 0.00 C ATOM 339 C ASP A 23 0.403 -3.476 7.701 1.00 0.00 C ATOM 340 O ASP A 23 0.734 -2.300 7.839 1.00 0.00 O ATOM 341 CB ASP A 23 0.557 -5.166 9.578 1.00 0.00 C ATOM 342 CG ASP A 23 1.791 -4.460 10.133 1.00 0.00 C ATOM 343 OD1 ASP A 23 1.649 -3.819 11.197 1.00 0.00 O ATOM 344 OD2 ASP A 23 2.853 -4.571 9.482 1.00 0.00 O ATOM 0 H ASP A 23 -1.563 -5.880 8.605 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.697 -3.425 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.002 -5.626 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.866 -5.970 8.910 1.00 0.00 H new ATOM 349 N GLN A 24 0.663 -4.182 6.595 1.00 0.00 N ATOM 350 CA GLN A 24 1.351 -3.638 5.436 1.00 0.00 C ATOM 351 C GLN A 24 0.579 -2.465 4.830 1.00 0.00 C ATOM 352 O GLN A 24 1.081 -1.344 4.839 1.00 0.00 O ATOM 353 CB GLN A 24 1.578 -4.746 4.404 1.00 0.00 C ATOM 354 CG GLN A 24 2.630 -5.746 4.902 1.00 0.00 C ATOM 355 CD GLN A 24 2.735 -6.969 3.996 1.00 0.00 C ATOM 356 OE1 GLN A 24 1.879 -7.204 3.148 1.00 0.00 O ATOM 357 NE2 GLN A 24 3.789 -7.763 4.183 1.00 0.00 N ATOM 0 H GLN A 24 0.395 -5.160 6.486 1.00 0.00 H new ATOM 0 HA GLN A 24 2.319 -3.252 5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.640 -5.265 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.903 -4.309 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.600 -5.253 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.376 -6.065 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.479 -7.534 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.905 -8.599 3.611 1.00 0.00 H new ATOM 366 N ARG A 25 -0.627 -2.706 4.298 1.00 0.00 N ATOM 367 CA ARG A 25 -1.373 -1.680 3.576 1.00 0.00 C ATOM 368 C ARG A 25 -1.647 -0.455 4.454 1.00 0.00 C ATOM 369 O ARG A 25 -1.448 0.671 4.005 1.00 0.00 O ATOM 370 CB ARG A 25 -2.641 -2.260 2.929 1.00 0.00 C ATOM 371 CG ARG A 25 -3.712 -2.693 3.932 1.00 0.00 C ATOM 372 CD ARG A 25 -4.795 -3.511 3.223 1.00 0.00 C ATOM 373 NE ARG A 25 -5.671 -4.175 4.191 1.00 0.00 N ATOM 374 CZ ARG A 25 -6.637 -3.583 4.912 1.00 0.00 C ATOM 375 NH1 ARG A 25 -6.916 -2.281 4.757 1.00 0.00 N ATOM 376 NH2 ARG A 25 -7.331 -4.305 5.801 1.00 0.00 N ATOM 0 H ARG A 25 -1.103 -3.606 4.357 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.749 -1.324 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.067 -1.514 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.364 -3.118 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.259 -3.286 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.157 -1.816 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.386 -2.858 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.329 -4.256 2.578 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.535 -5.176 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.391 -1.724 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.653 -1.848 5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.124 -5.296 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.067 -3.864 6.353 1.00 0.00 H new ATOM 390 N ASN A 26 -2.075 -0.668 5.705 1.00 0.00 N ATOM 391 CA ASN A 26 -2.335 0.410 6.650 1.00 0.00 C ATOM 392 C ASN A 26 -1.047 1.166 6.982 1.00 0.00 C ATOM 393 O ASN A 26 -1.061 2.393 7.028 1.00 0.00 O ATOM 394 CB ASN A 26 -3.010 -0.123 7.924 1.00 0.00 C ATOM 395 CG ASN A 26 -4.350 -0.822 7.671 1.00 0.00 C ATOM 396 OD1 ASN A 26 -4.632 -1.858 8.269 1.00 0.00 O ATOM 397 ND2 ASN A 26 -5.192 -0.268 6.796 1.00 0.00 N ATOM 0 H ASN A 26 -2.249 -1.598 6.085 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.023 1.112 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.334 -0.822 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.168 0.706 8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.095 -0.705 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.933 0.592 6.313 1.00 0.00 H new ATOM 404 N GLY A 27 0.064 0.452 7.200 1.00 0.00 N ATOM 405 CA GLY A 27 1.364 1.053 7.467 1.00 0.00 C ATOM 406 C GLY A 27 1.787 1.996 6.340 1.00 0.00 C ATOM 407 O GLY A 27 2.170 3.137 6.594 1.00 0.00 O ATOM 0 H GLY A 27 0.080 -0.568 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.326 1.602 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.111 0.268 7.586 1.00 0.00 H new ATOM 411 N PHE A 28 1.705 1.519 5.093 1.00 0.00 N ATOM 412 CA PHE A 28 2.029 2.300 3.908 1.00 0.00 C ATOM 413 C PHE A 28 1.100 3.513 3.786 1.00 0.00 C ATOM 414 O PHE A 28 1.570 4.606 3.485 1.00 0.00 O ATOM 415 CB PHE A 28 1.979 1.413 2.655 1.00 0.00 C ATOM 416 CG PHE A 28 3.255 0.632 2.370 1.00 0.00 C ATOM 417 CD1 PHE A 28 3.765 -0.298 3.300 1.00 0.00 C ATOM 418 CD2 PHE A 28 3.947 0.844 1.163 1.00 0.00 C ATOM 419 CE1 PHE A 28 4.921 -1.040 3.001 1.00 0.00 C ATOM 420 CE2 PHE A 28 5.119 0.125 0.881 1.00 0.00 C ATOM 421 CZ PHE A 28 5.608 -0.817 1.797 1.00 0.00 C ATOM 0 H PHE A 28 1.407 0.566 4.882 1.00 0.00 H new ATOM 0 HA PHE A 28 3.046 2.681 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.155 0.708 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.754 2.040 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.265 -0.441 4.247 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.574 1.564 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.281 -1.782 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.646 0.298 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.510 -1.369 1.577 1.00 0.00 H new ATOM 431 N ILE A 29 -0.205 3.341 4.031 1.00 0.00 N ATOM 432 CA ILE A 29 -1.165 4.441 4.026 1.00 0.00 C ATOM 433 C ILE A 29 -0.758 5.515 5.038 1.00 0.00 C ATOM 434 O ILE A 29 -0.734 6.691 4.689 1.00 0.00 O ATOM 435 CB ILE A 29 -2.590 3.904 4.255 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.066 3.247 2.948 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.571 5.003 4.690 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.257 2.311 3.150 1.00 0.00 C ATOM 0 H ILE A 29 -0.621 2.433 4.238 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.163 4.923 3.048 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.564 3.179 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.339 4.025 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.241 2.687 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.560 4.570 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.227 5.449 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.623 5.771 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.546 1.878 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.980 1.514 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.095 2.873 3.562 1.00 0.00 H new ATOM 450 N GLN A 30 -0.425 5.124 6.274 1.00 0.00 N ATOM 451 CA GLN A 30 0.029 6.057 7.298 1.00 0.00 C ATOM 452 C GLN A 30 1.327 6.753 6.884 1.00 0.00 C ATOM 453 O GLN A 30 1.494 7.936 7.169 1.00 0.00 O ATOM 454 CB GLN A 30 0.177 5.348 8.651 1.00 0.00 C ATOM 455 CG GLN A 30 -1.179 4.945 9.251 1.00 0.00 C ATOM 456 CD GLN A 30 -2.081 6.144 9.550 1.00 0.00 C ATOM 457 OE1 GLN A 30 -1.608 7.201 9.960 1.00 0.00 O ATOM 458 NE2 GLN A 30 -3.389 5.986 9.340 1.00 0.00 N ATOM 0 H GLN A 30 -0.464 4.154 6.586 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.730 6.832 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.795 4.459 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.699 6.004 9.347 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.691 4.276 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.011 4.385 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.747 5.094 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.031 6.757 9.521 1.00 0.00 H new ATOM 467 N SER A 31 2.235 6.046 6.200 1.00 0.00 N ATOM 468 CA SER A 31 3.445 6.647 5.649 1.00 0.00 C ATOM 469 C SER A 31 3.095 7.713 4.602 1.00 0.00 C ATOM 470 O SER A 31 3.727 8.766 4.560 1.00 0.00 O ATOM 471 CB SER A 31 4.364 5.571 5.058 1.00 0.00 C ATOM 472 OG SER A 31 4.628 4.564 6.013 1.00 0.00 O ATOM 0 H SER A 31 2.148 5.046 6.016 1.00 0.00 H new ATOM 0 HA SER A 31 3.983 7.139 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.898 5.131 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.300 6.024 4.731 1.00 0.00 H new ATOM 0 HG SER A 31 3.820 4.028 6.155 1.00 0.00 H new ATOM 478 N LEU A 32 2.083 7.445 3.767 1.00 0.00 N ATOM 479 CA LEU A 32 1.599 8.375 2.754 1.00 0.00 C ATOM 480 C LEU A 32 1.011 9.623 3.423 1.00 0.00 C ATOM 481 O LEU A 32 1.351 10.742 3.051 1.00 0.00 O ATOM 482 CB LEU A 32 0.571 7.671 1.850 1.00 0.00 C ATOM 483 CG LEU A 32 0.645 8.128 0.384 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.374 7.343 -0.450 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.398 9.632 0.226 1.00 0.00 C ATOM 0 H LEU A 32 1.574 6.561 3.781 1.00 0.00 H new ATOM 0 HA LEU A 32 2.429 8.700 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.732 6.594 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.432 7.861 2.233 1.00 0.00 H new ATOM 0 HG LEU A 32 1.656 7.929 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.321 7.668 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.150 6.278 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.377 7.524 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.461 9.902 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.593 9.880 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.150 10.185 0.788 1.00 0.00 H new ATOM 497 N LYS A 33 0.139 9.433 4.423 1.00 0.00 N ATOM 498 CA LYS A 33 -0.449 10.518 5.202 1.00 0.00 C ATOM 499 C LYS A 33 0.646 11.371 5.849 1.00 0.00 C ATOM 500 O LYS A 33 0.579 12.598 5.805 1.00 0.00 O ATOM 501 CB LYS A 33 -1.392 9.951 6.274 1.00 0.00 C ATOM 502 CG LYS A 33 -2.661 9.344 5.660 1.00 0.00 C ATOM 503 CD LYS A 33 -3.511 8.586 6.690 1.00 0.00 C ATOM 504 CE LYS A 33 -3.930 9.428 7.902 1.00 0.00 C ATOM 505 NZ LYS A 33 -4.665 10.640 7.504 1.00 0.00 N ATOM 0 H LYS A 33 -0.178 8.508 4.713 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.026 11.154 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.868 9.189 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.669 10.743 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.260 10.138 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.381 8.665 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.407 8.208 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.950 7.720 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.554 8.826 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.044 9.711 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.003 11.136 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.034 11.267 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.478 10.374 6.912 1.00 0.00 H new ATOM 519 N ASP A 34 1.653 10.716 6.440 1.00 0.00 N ATOM 520 CA ASP A 34 2.786 11.361 7.085 1.00 0.00 C ATOM 521 C ASP A 34 3.603 12.191 6.090 1.00 0.00 C ATOM 522 O ASP A 34 4.014 13.301 6.423 1.00 0.00 O ATOM 523 CB ASP A 34 3.656 10.298 7.766 1.00 0.00 C ATOM 524 CG ASP A 34 4.863 10.917 8.465 1.00 0.00 C ATOM 525 OD1 ASP A 34 4.669 11.430 9.588 1.00 0.00 O ATOM 526 OD2 ASP A 34 5.957 10.870 7.861 1.00 0.00 O ATOM 0 H ASP A 34 1.696 9.698 6.480 1.00 0.00 H new ATOM 0 HA ASP A 34 2.412 12.053 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.057 9.749 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.996 9.576 7.023 1.00 0.00 H new ATOM 531 N ASP A 35 3.838 11.655 4.883 1.00 0.00 N ATOM 532 CA ASP A 35 4.631 12.297 3.841 1.00 0.00 C ATOM 533 C ASP A 35 3.849 12.311 2.518 1.00 0.00 C ATOM 534 O ASP A 35 4.068 11.445 1.671 1.00 0.00 O ATOM 535 CB ASP A 35 5.973 11.556 3.727 1.00 0.00 C ATOM 536 CG ASP A 35 6.979 12.256 2.813 1.00 0.00 C ATOM 537 OD1 ASP A 35 6.572 13.200 2.101 1.00 0.00 O ATOM 538 OD2 ASP A 35 8.153 11.830 2.846 1.00 0.00 O ATOM 0 H ASP A 35 3.472 10.745 4.605 1.00 0.00 H new ATOM 0 HA ASP A 35 4.836 13.338 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.408 11.453 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.792 10.549 3.352 1.00 0.00 H new ATOM 543 N PRO A 36 2.946 13.290 2.322 1.00 0.00 N ATOM 544 CA PRO A 36 2.122 13.430 1.127 1.00 0.00 C ATOM 545 C PRO A 36 2.916 13.434 -0.181 1.00 0.00 C ATOM 546 O PRO A 36 2.471 12.846 -1.165 1.00 0.00 O ATOM 547 CB PRO A 36 1.351 14.741 1.303 1.00 0.00 C ATOM 548 CG PRO A 36 1.243 14.869 2.819 1.00 0.00 C ATOM 549 CD PRO A 36 2.586 14.316 3.290 1.00 0.00 C ATOM 0 HA PRO A 36 1.464 12.565 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.882 15.585 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.370 14.700 0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.098 15.903 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.405 14.296 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.341 15.101 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.508 13.898 4.294 1.00 0.00 H new ATOM 557 N SER A 37 4.079 14.101 -0.201 1.00 0.00 N ATOM 558 CA SER A 37 4.891 14.251 -1.404 1.00 0.00 C ATOM 559 C SER A 37 5.329 12.902 -1.985 1.00 0.00 C ATOM 560 O SER A 37 5.481 12.783 -3.200 1.00 0.00 O ATOM 561 CB SER A 37 6.095 15.159 -1.127 1.00 0.00 C ATOM 562 OG SER A 37 7.026 14.540 -0.266 1.00 0.00 O ATOM 0 H SER A 37 4.479 14.551 0.622 1.00 0.00 H new ATOM 0 HA SER A 37 4.268 14.724 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.583 15.414 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.752 16.093 -0.682 1.00 0.00 H new ATOM 0 HG SER A 37 6.554 14.148 0.498 1.00 0.00 H new ATOM 568 N GLN A 38 5.509 11.886 -1.131 1.00 0.00 N ATOM 569 CA GLN A 38 5.938 10.554 -1.533 1.00 0.00 C ATOM 570 C GLN A 38 4.729 9.671 -1.866 1.00 0.00 C ATOM 571 O GLN A 38 4.722 8.487 -1.541 1.00 0.00 O ATOM 572 CB GLN A 38 6.799 9.955 -0.406 1.00 0.00 C ATOM 573 CG GLN A 38 8.110 10.726 -0.202 1.00 0.00 C ATOM 574 CD GLN A 38 9.023 10.644 -1.423 1.00 0.00 C ATOM 575 OE1 GLN A 38 9.154 11.610 -2.171 1.00 0.00 O ATOM 576 NE2 GLN A 38 9.658 9.489 -1.630 1.00 0.00 N ATOM 0 H GLN A 38 5.356 11.975 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 38 6.539 10.611 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.230 9.958 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.025 8.914 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.885 11.771 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.632 10.327 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.523 8.710 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.279 9.385 -2.433 1.00 0.00 H new ATOM 585 N SER A 39 3.711 10.231 -2.533 1.00 0.00 N ATOM 586 CA SER A 39 2.517 9.493 -2.925 1.00 0.00 C ATOM 587 C SER A 39 2.873 8.415 -3.949 1.00 0.00 C ATOM 588 O SER A 39 2.613 7.236 -3.719 1.00 0.00 O ATOM 589 CB SER A 39 1.454 10.460 -3.463 1.00 0.00 C ATOM 590 OG SER A 39 0.260 9.765 -3.755 1.00 0.00 O ATOM 0 H SER A 39 3.699 11.212 -2.814 1.00 0.00 H new ATOM 0 HA SER A 39 2.099 8.992 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.258 11.240 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.824 10.954 -4.361 1.00 0.00 H new ATOM 0 HG SER A 39 -0.410 10.394 -4.096 1.00 0.00 H new ATOM 596 N ALA A 40 3.472 8.827 -5.073 1.00 0.00 N ATOM 597 CA ALA A 40 3.890 7.936 -6.147 1.00 0.00 C ATOM 598 C ALA A 40 4.898 6.898 -5.648 1.00 0.00 C ATOM 599 O ALA A 40 4.824 5.734 -6.036 1.00 0.00 O ATOM 600 CB ALA A 40 4.485 8.762 -7.290 1.00 0.00 C ATOM 0 H ALA A 40 3.681 9.808 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 40 3.017 7.393 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.798 8.097 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.734 9.457 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.347 9.321 -6.925 1.00 0.00 H new ATOM 606 N ASN A 41 5.832 7.321 -4.788 1.00 0.00 N ATOM 607 CA ASN A 41 6.843 6.453 -4.203 1.00 0.00 C ATOM 608 C ASN A 41 6.188 5.348 -3.373 1.00 0.00 C ATOM 609 O ASN A 41 6.405 4.171 -3.647 1.00 0.00 O ATOM 610 CB ASN A 41 7.810 7.298 -3.366 1.00 0.00 C ATOM 611 CG ASN A 41 8.853 6.439 -2.654 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.904 6.144 -3.216 1.00 0.00 O ATOM 613 ND2 ASN A 41 8.571 6.043 -1.411 1.00 0.00 N ATOM 0 H ASN A 41 5.902 8.291 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 41 7.410 5.963 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.313 8.018 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.247 7.869 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.240 5.474 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.686 6.309 -0.979 1.00 0.00 H new ATOM 620 N VAL A 42 5.389 5.724 -2.365 1.00 0.00 N ATOM 621 CA VAL A 42 4.703 4.783 -1.487 1.00 0.00 C ATOM 622 C VAL A 42 3.812 3.840 -2.300 1.00 0.00 C ATOM 623 O VAL A 42 3.815 2.639 -2.047 1.00 0.00 O ATOM 624 CB VAL A 42 3.918 5.553 -0.409 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.965 4.650 0.381 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.884 6.194 0.598 1.00 0.00 C ATOM 0 H VAL A 42 5.203 6.701 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 42 5.436 4.159 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 42 3.337 6.308 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.437 5.243 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.244 4.198 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.536 3.866 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.315 6.735 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.478 5.416 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.546 6.886 0.077 1.00 0.00 H new ATOM 636 N LEU A 43 3.066 4.373 -3.275 1.00 0.00 N ATOM 637 CA LEU A 43 2.216 3.592 -4.166 1.00 0.00 C ATOM 638 C LEU A 43 3.037 2.546 -4.930 1.00 0.00 C ATOM 639 O LEU A 43 2.653 1.379 -4.984 1.00 0.00 O ATOM 640 CB LEU A 43 1.484 4.552 -5.115 1.00 0.00 C ATOM 641 CG LEU A 43 0.608 3.859 -6.172 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.498 3.013 -5.533 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.021 4.929 -7.071 1.00 0.00 C ATOM 0 H LEU A 43 3.039 5.375 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 43 1.477 3.041 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.858 5.220 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.222 5.173 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 43 1.240 3.188 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.093 2.541 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.050 2.244 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.139 3.651 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.645 4.450 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.633 5.599 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.767 5.501 -7.562 1.00 0.00 H new ATOM 655 N GLY A 44 4.166 2.962 -5.516 1.00 0.00 N ATOM 656 CA GLY A 44 5.066 2.086 -6.251 1.00 0.00 C ATOM 657 C GLY A 44 5.595 0.960 -5.365 1.00 0.00 C ATOM 658 O GLY A 44 5.539 -0.207 -5.747 1.00 0.00 O ATOM 0 H GLY A 44 4.478 3.933 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.543 1.661 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.902 2.666 -6.642 1.00 0.00 H new ATOM 662 N GLU A 45 6.101 1.312 -4.179 1.00 0.00 N ATOM 663 CA GLU A 45 6.628 0.358 -3.215 1.00 0.00 C ATOM 664 C GLU A 45 5.534 -0.582 -2.695 1.00 0.00 C ATOM 665 O GLU A 45 5.815 -1.749 -2.436 1.00 0.00 O ATOM 666 CB GLU A 45 7.329 1.103 -2.070 1.00 0.00 C ATOM 667 CG GLU A 45 8.588 1.850 -2.529 1.00 0.00 C ATOM 668 CD GLU A 45 9.659 0.897 -3.051 1.00 0.00 C ATOM 669 OE1 GLU A 45 10.284 0.223 -2.203 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.832 0.854 -4.289 1.00 0.00 O ATOM 0 H GLU A 45 6.154 2.281 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 45 7.364 -0.270 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.633 1.814 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.599 0.390 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.323 2.561 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.991 2.427 -1.697 1.00 0.00 H new ATOM 677 N ALA A 46 4.295 -0.095 -2.549 1.00 0.00 N ATOM 678 CA ALA A 46 3.158 -0.916 -2.156 1.00 0.00 C ATOM 679 C ALA A 46 2.857 -1.954 -3.236 1.00 0.00 C ATOM 680 O ALA A 46 2.650 -3.124 -2.924 1.00 0.00 O ATOM 681 CB ALA A 46 1.929 -0.040 -1.900 1.00 0.00 C ATOM 0 H ALA A 46 4.059 0.885 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 46 3.408 -1.437 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.088 -0.669 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.147 0.669 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.675 0.505 -2.809 1.00 0.00 H new ATOM 687 N GLN A 47 2.841 -1.527 -4.505 1.00 0.00 N ATOM 688 CA GLN A 47 2.623 -2.413 -5.638 1.00 0.00 C ATOM 689 C GLN A 47 3.744 -3.451 -5.739 1.00 0.00 C ATOM 690 O GLN A 47 3.476 -4.609 -6.050 1.00 0.00 O ATOM 691 CB GLN A 47 2.488 -1.586 -6.925 1.00 0.00 C ATOM 692 CG GLN A 47 2.194 -2.438 -8.169 1.00 0.00 C ATOM 693 CD GLN A 47 0.891 -3.227 -8.051 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.170 -2.737 -8.429 1.00 0.00 O ATOM 695 NE2 GLN A 47 0.963 -4.454 -7.530 1.00 0.00 N ATOM 0 H GLN A 47 2.980 -0.551 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 47 1.693 -2.963 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.689 -0.856 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.409 -1.026 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.143 -1.790 -9.044 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.019 -3.131 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.863 -4.827 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.118 -5.018 -7.435 1.00 0.00 H new ATOM 704 N LYS A 48 4.991 -3.047 -5.471 1.00 0.00 N ATOM 705 CA LYS A 48 6.137 -3.945 -5.457 1.00 0.00 C ATOM 706 C LYS A 48 5.992 -4.985 -4.341 1.00 0.00 C ATOM 707 O LYS A 48 6.203 -6.171 -4.578 1.00 0.00 O ATOM 708 CB LYS A 48 7.425 -3.122 -5.311 1.00 0.00 C ATOM 709 CG LYS A 48 8.709 -3.964 -5.354 1.00 0.00 C ATOM 710 CD LYS A 48 8.886 -4.807 -6.628 1.00 0.00 C ATOM 711 CE LYS A 48 8.792 -4.001 -7.929 1.00 0.00 C ATOM 712 NZ LYS A 48 9.766 -2.897 -7.968 1.00 0.00 N ATOM 0 H LYS A 48 5.228 -2.078 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 48 6.187 -4.493 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.462 -2.379 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.391 -2.576 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.566 -3.299 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.719 -4.629 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.855 -5.304 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.127 -5.589 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.961 -4.663 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.784 -3.599 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.714 -2.421 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.548 -2.215 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.725 -3.275 -7.826 1.00 0.00 H new ATOM 726 N LEU A 49 5.624 -4.539 -3.134 1.00 0.00 N ATOM 727 CA LEU A 49 5.403 -5.387 -1.969 1.00 0.00 C ATOM 728 C LEU A 49 4.274 -6.392 -2.233 1.00 0.00 C ATOM 729 O LEU A 49 4.373 -7.556 -1.846 1.00 0.00 O ATOM 730 CB LEU A 49 5.120 -4.487 -0.755 1.00 0.00 C ATOM 731 CG LEU A 49 4.860 -5.242 0.558 1.00 0.00 C ATOM 732 CD1 LEU A 49 6.079 -6.047 1.020 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.505 -4.237 1.656 1.00 0.00 C ATOM 0 H LEU A 49 5.469 -3.549 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 49 6.293 -5.980 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.968 -3.817 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.254 -3.863 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 49 4.041 -5.938 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.843 -6.562 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.342 -6.780 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.920 -5.373 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.320 -4.768 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.332 -3.540 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.610 -3.685 1.369 1.00 0.00 H new ATOM 745 N ASN A 50 3.204 -5.949 -2.904 1.00 0.00 N ATOM 746 CA ASN A 50 2.110 -6.807 -3.334 1.00 0.00 C ATOM 747 C ASN A 50 2.617 -7.851 -4.332 1.00 0.00 C ATOM 748 O ASN A 50 2.355 -9.040 -4.167 1.00 0.00 O ATOM 749 CB ASN A 50 0.995 -5.948 -3.945 1.00 0.00 C ATOM 750 CG ASN A 50 -0.157 -6.798 -4.475 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.081 -7.130 -3.737 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.109 -7.157 -5.759 1.00 0.00 N ATOM 0 H ASN A 50 3.079 -4.971 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 50 1.704 -7.340 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.618 -5.255 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.404 -5.346 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.856 -7.726 -6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.674 -6.863 -6.342 1.00 0.00 H new ATOM 759 N ASP A 51 3.335 -7.398 -5.365 1.00 0.00 N ATOM 760 CA ASP A 51 3.848 -8.232 -6.442 1.00 0.00 C ATOM 761 C ASP A 51 4.758 -9.341 -5.906 1.00 0.00 C ATOM 762 O ASP A 51 4.602 -10.498 -6.288 1.00 0.00 O ATOM 763 CB ASP A 51 4.577 -7.351 -7.463 1.00 0.00 C ATOM 764 CG ASP A 51 5.123 -8.172 -8.626 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.310 -8.515 -9.511 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.343 -8.444 -8.608 1.00 0.00 O ATOM 0 H ASP A 51 3.579 -6.413 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 51 3.011 -8.726 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.893 -6.592 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.396 -6.826 -6.972 1.00 0.00 H new ATOM 771 N SER A 52 5.698 -8.996 -5.019 1.00 0.00 N ATOM 772 CA SER A 52 6.602 -9.957 -4.401 1.00 0.00 C ATOM 773 C SER A 52 5.842 -11.021 -3.602 1.00 0.00 C ATOM 774 O SER A 52 6.282 -12.168 -3.547 1.00 0.00 O ATOM 775 CB SER A 52 7.631 -9.224 -3.533 1.00 0.00 C ATOM 776 OG SER A 52 7.004 -8.365 -2.605 1.00 0.00 O ATOM 0 H SER A 52 5.849 -8.035 -4.712 1.00 0.00 H new ATOM 0 HA SER A 52 7.133 -10.486 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.244 -9.951 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.301 -8.647 -4.170 1.00 0.00 H new ATOM 0 HG SER A 52 6.038 -8.531 -2.606 1.00 0.00 H new ATOM 782 N GLN A 53 4.705 -10.651 -2.997 1.00 0.00 N ATOM 783 CA GLN A 53 3.864 -11.561 -2.227 1.00 0.00 C ATOM 784 C GLN A 53 2.800 -12.249 -3.097 1.00 0.00 C ATOM 785 O GLN A 53 1.904 -12.892 -2.552 1.00 0.00 O ATOM 786 CB GLN A 53 3.218 -10.786 -1.070 1.00 0.00 C ATOM 787 CG GLN A 53 4.260 -10.348 -0.034 1.00 0.00 C ATOM 788 CD GLN A 53 3.609 -9.543 1.086 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.570 -9.978 2.234 1.00 0.00 O ATOM 790 NE2 GLN A 53 3.096 -8.360 0.750 1.00 0.00 N ATOM 0 H GLN A 53 4.344 -9.698 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 53 4.492 -12.358 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.702 -9.909 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.465 -11.410 -0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.755 -11.225 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.030 -9.748 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.150 -8.036 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.649 -7.778 1.459 1.00 0.00 H new ATOM 799 N ALA A 54 2.881 -12.145 -4.431 1.00 0.00 N ATOM 800 CA ALA A 54 1.961 -12.834 -5.326 1.00 0.00 C ATOM 801 C ALA A 54 2.228 -14.345 -5.281 1.00 0.00 C ATOM 802 O ALA A 54 3.371 -14.748 -5.491 1.00 0.00 O ATOM 803 CB ALA A 54 2.118 -12.299 -6.751 1.00 0.00 C ATOM 0 H ALA A 54 3.584 -11.583 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 54 0.937 -12.652 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.426 -12.820 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.899 -11.231 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.140 -12.464 -7.091 1.00 0.00 H new ATOM 809 N PRO A 55 1.213 -15.191 -5.018 1.00 0.00 N ATOM 810 CA PRO A 55 1.349 -16.643 -5.043 1.00 0.00 C ATOM 811 C PRO A 55 1.931 -17.170 -6.358 1.00 0.00 C ATOM 812 O PRO A 55 2.867 -17.966 -6.338 1.00 0.00 O ATOM 813 CB PRO A 55 -0.058 -17.200 -4.798 1.00 0.00 C ATOM 814 CG PRO A 55 -0.733 -16.092 -3.995 1.00 0.00 C ATOM 815 CD PRO A 55 -0.132 -14.823 -4.597 1.00 0.00 C ATOM 0 HA PRO A 55 2.056 -16.966 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.582 -17.397 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.029 -18.139 -4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.817 -16.117 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.517 -16.176 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.725 -14.470 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.107 -14.015 -3.865 1.00 0.00 H new ATOM 823 N LYS A 56 1.362 -16.730 -7.489 1.00 0.00 N ATOM 824 CA LYS A 56 1.707 -17.189 -8.830 1.00 0.00 C ATOM 825 C LYS A 56 1.548 -18.711 -8.934 1.00 0.00 C ATOM 826 O LYS A 56 0.411 -19.174 -8.693 1.00 0.00 O ATOM 827 CB LYS A 56 3.108 -16.701 -9.243 1.00 0.00 C ATOM 828 CG LYS A 56 3.299 -15.179 -9.140 1.00 0.00 C ATOM 829 CD LYS A 56 2.271 -14.340 -9.912 1.00 0.00 C ATOM 830 CE LYS A 56 2.265 -14.656 -11.411 1.00 0.00 C ATOM 831 NZ LYS A 56 1.363 -13.752 -12.100 1.00 0.00 N ATOM 832 OXT LYS A 56 2.552 -19.386 -9.250 1.00 0.00 O ATOM 0 H LYS A 56 0.627 -16.023 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 56 1.011 -16.748 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.852 -17.193 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.301 -17.012 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.261 -14.894 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.296 -14.928 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.277 -14.520 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.488 -13.282 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.272 -14.559 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.954 -15.688 -11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.362 -13.970 -13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.401 -13.865 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.678 -12.771 -11.957 1.00 0.00 H new TER 845 LYS A 56