USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 Single : A 5 ASN : amide:sc= -1.45! K(o=-1.5!,f=-0.061) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 1.28 (180deg=1.03) USER MOD Single : A 15 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 25 TYR OH : rot 175:sc= -2.34! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.359) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -105:sc= 1.19 (180deg=-0.856!) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -3.72! (180deg=-5.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 40 SER OG : rot -86:sc= 1.22 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 140:sc= 0.949 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -5.9! K(o=-5.9!,f=-0.35) USER MOD Single : A 61 GLN : amide:sc= -3.87! C(o=-3.9!,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 1.07 (180deg=0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.912 -4.979 -0.201 1.00 0.00 N ATOM 2 CA ASN A 5 18.244 -5.273 1.061 1.00 0.00 C ATOM 3 C ASN A 5 17.080 -4.334 1.264 1.00 0.00 C ATOM 4 O ASN A 5 16.090 -4.663 1.912 1.00 0.00 O ATOM 5 CB ASN A 5 19.211 -5.146 2.233 1.00 0.00 C ATOM 6 CG ASN A 5 18.589 -5.653 3.513 1.00 0.00 C ATOM 7 OD1 ASN A 5 18.822 -5.114 4.593 1.00 0.00 O ATOM 8 ND2 ASN A 5 17.806 -6.717 3.398 1.00 0.00 N ATOM 0 HA ASN A 5 17.880 -6.300 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 5 20.120 -5.708 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.503 -4.103 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.369 -7.121 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.641 -7.132 2.481 1.00 0.00 H new ATOM 15 N GLU A 6 17.197 -3.184 0.646 1.00 0.00 N ATOM 16 CA GLU A 6 16.215 -2.126 0.782 1.00 0.00 C ATOM 17 C GLU A 6 15.058 -2.428 -0.142 1.00 0.00 C ATOM 18 O GLU A 6 13.920 -2.026 0.087 1.00 0.00 O ATOM 19 CB GLU A 6 16.884 -0.816 0.406 1.00 0.00 C ATOM 20 CG GLU A 6 18.326 -0.762 0.888 1.00 0.00 C ATOM 21 CD GLU A 6 18.466 -0.326 2.332 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.995 0.773 2.674 1.00 0.00 O ATOM 23 OE2 GLU A 6 19.060 -1.085 3.125 1.00 0.00 O ATOM 0 H GLU A 6 17.977 -2.951 0.032 1.00 0.00 H new ATOM 0 HA GLU A 6 15.838 -2.055 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.857 -0.691 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.325 0.015 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.777 -1.747 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.887 -0.076 0.254 1.00 0.00 H new ATOM 30 N ARG A 7 15.380 -3.166 -1.187 1.00 0.00 N ATOM 31 CA ARG A 7 14.392 -3.658 -2.111 1.00 0.00 C ATOM 32 C ARG A 7 13.619 -4.797 -1.469 1.00 0.00 C ATOM 33 O ARG A 7 12.398 -4.856 -1.556 1.00 0.00 O ATOM 34 CB ARG A 7 15.072 -4.126 -3.390 1.00 0.00 C ATOM 35 CG ARG A 7 14.763 -3.255 -4.590 1.00 0.00 C ATOM 36 CD ARG A 7 13.264 -3.032 -4.731 1.00 0.00 C ATOM 37 NE ARG A 7 12.811 -3.044 -6.122 1.00 0.00 N ATOM 38 CZ ARG A 7 11.988 -2.132 -6.644 1.00 0.00 C ATOM 39 NH1 ARG A 7 11.698 -1.022 -5.974 1.00 0.00 N ATOM 40 NH2 ARG A 7 11.490 -2.308 -7.860 1.00 0.00 N ATOM 0 H ARG A 7 16.336 -3.438 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 7 13.695 -2.859 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.150 -4.146 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.762 -5.149 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.269 -2.295 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.151 -3.724 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.734 -3.806 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.000 -2.077 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 7 13.144 -3.793 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.105 -0.861 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.068 -0.331 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.736 -3.140 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.861 -1.611 -8.259 1.00 0.00 H new ATOM 54 N ARG A 8 14.354 -5.687 -0.812 1.00 0.00 N ATOM 55 CA ARG A 8 13.757 -6.773 -0.042 1.00 0.00 C ATOM 56 C ARG A 8 12.801 -6.205 1.006 1.00 0.00 C ATOM 57 O ARG A 8 11.723 -6.750 1.237 1.00 0.00 O ATOM 58 CB ARG A 8 14.868 -7.606 0.618 1.00 0.00 C ATOM 59 CG ARG A 8 14.382 -8.792 1.445 1.00 0.00 C ATOM 60 CD ARG A 8 15.559 -9.634 1.926 1.00 0.00 C ATOM 61 NE ARG A 8 15.158 -10.699 2.846 1.00 0.00 N ATOM 62 CZ ARG A 8 15.853 -11.825 3.037 1.00 0.00 C ATOM 63 NH1 ARG A 8 16.949 -12.069 2.326 1.00 0.00 N ATOM 64 NH2 ARG A 8 15.450 -12.714 3.932 1.00 0.00 N ATOM 0 H ARG A 8 15.374 -5.677 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 8 13.185 -7.422 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.536 -7.975 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.458 -6.952 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.811 -8.434 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.709 -9.407 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.060 -10.075 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.284 -8.987 2.420 1.00 0.00 H new ATOM 0 HE ARG A 8 14.294 -10.575 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.265 -11.395 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.474 -12.930 2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.606 -12.541 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.983 -13.572 4.075 1.00 0.00 H new ATOM 78 N ILE A 9 13.199 -5.095 1.617 1.00 0.00 N ATOM 79 CA ILE A 9 12.351 -4.389 2.569 1.00 0.00 C ATOM 80 C ILE A 9 11.113 -3.788 1.888 1.00 0.00 C ATOM 81 O ILE A 9 9.985 -4.014 2.327 1.00 0.00 O ATOM 82 CB ILE A 9 13.160 -3.276 3.268 1.00 0.00 C ATOM 83 CG1 ILE A 9 14.151 -3.895 4.247 1.00 0.00 C ATOM 84 CG2 ILE A 9 12.242 -2.289 3.984 1.00 0.00 C ATOM 85 CD1 ILE A 9 15.128 -2.893 4.810 1.00 0.00 C ATOM 0 H ILE A 9 14.111 -4.662 1.468 1.00 0.00 H new ATOM 0 HA ILE A 9 12.006 -5.111 3.309 1.00 0.00 H new ATOM 0 HB ILE A 9 13.709 -2.721 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.602 -4.359 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.703 -4.689 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.842 -1.518 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.570 -1.827 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.657 -2.817 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.807 -3.395 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.701 -2.447 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.583 -2.112 5.341 1.00 0.00 H new ATOM 97 N LEU A 10 11.334 -3.051 0.803 1.00 0.00 N ATOM 98 CA LEU A 10 10.267 -2.334 0.114 1.00 0.00 C ATOM 99 C LEU A 10 9.252 -3.295 -0.515 1.00 0.00 C ATOM 100 O LEU A 10 8.051 -3.047 -0.465 1.00 0.00 O ATOM 101 CB LEU A 10 10.878 -1.424 -0.956 1.00 0.00 C ATOM 102 CG LEU A 10 9.964 -0.318 -1.490 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.751 0.757 -0.433 1.00 0.00 C ATOM 104 CD2 LEU A 10 10.554 0.280 -2.754 1.00 0.00 C ATOM 0 H LEU A 10 12.254 -2.935 0.379 1.00 0.00 H new ATOM 0 HA LEU A 10 9.729 -1.731 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.775 -0.961 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.196 -2.043 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 10 8.993 -0.751 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.099 1.534 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.290 0.313 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.711 1.194 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.896 1.066 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.535 0.702 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.655 -0.497 -3.511 1.00 0.00 H new ATOM 116 N GLU A 11 9.730 -4.396 -1.094 1.00 0.00 N ATOM 117 CA GLU A 11 8.840 -5.381 -1.719 1.00 0.00 C ATOM 118 C GLU A 11 8.084 -6.172 -0.654 1.00 0.00 C ATOM 119 O GLU A 11 6.939 -6.579 -0.866 1.00 0.00 O ATOM 120 CB GLU A 11 9.619 -6.343 -2.623 1.00 0.00 C ATOM 121 CG GLU A 11 10.339 -5.654 -3.772 1.00 0.00 C ATOM 122 CD GLU A 11 9.399 -5.034 -4.787 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.912 -3.912 -4.549 1.00 0.00 O ATOM 124 OE2 GLU A 11 9.164 -5.659 -5.844 1.00 0.00 O ATOM 0 H GLU A 11 10.722 -4.630 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 11 8.126 -4.834 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.349 -6.883 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.930 -7.084 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.990 -4.878 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.979 -6.378 -4.276 1.00 0.00 H new ATOM 131 N GLN A 12 8.730 -6.412 0.482 1.00 0.00 N ATOM 132 CA GLN A 12 8.047 -7.013 1.619 1.00 0.00 C ATOM 133 C GLN A 12 6.935 -6.085 2.080 1.00 0.00 C ATOM 134 O GLN A 12 5.805 -6.511 2.336 1.00 0.00 O ATOM 135 CB GLN A 12 9.009 -7.259 2.779 1.00 0.00 C ATOM 136 CG GLN A 12 8.352 -7.958 3.958 1.00 0.00 C ATOM 137 CD GLN A 12 9.233 -7.988 5.192 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.210 -7.066 6.011 1.00 0.00 O ATOM 139 NE2 GLN A 12 9.995 -9.057 5.348 1.00 0.00 N ATOM 0 H GLN A 12 9.716 -6.202 0.638 1.00 0.00 H new ATOM 0 HA GLN A 12 7.638 -7.973 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.847 -7.861 2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.419 -6.306 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.416 -7.453 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.099 -8.979 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.984 -9.798 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.593 -9.141 6.170 1.00 0.00 H new ATOM 148 N LYS A 13 7.273 -4.805 2.165 1.00 0.00 N ATOM 149 CA LYS A 13 6.323 -3.782 2.559 1.00 0.00 C ATOM 150 C LYS A 13 5.199 -3.689 1.537 1.00 0.00 C ATOM 151 O LYS A 13 4.049 -3.472 1.887 1.00 0.00 O ATOM 152 CB LYS A 13 7.022 -2.429 2.685 1.00 0.00 C ATOM 153 CG LYS A 13 6.561 -1.635 3.889 1.00 0.00 C ATOM 154 CD LYS A 13 6.976 -2.310 5.184 1.00 0.00 C ATOM 155 CE LYS A 13 6.554 -1.493 6.383 1.00 0.00 C ATOM 156 NZ LYS A 13 7.002 -2.109 7.651 1.00 0.00 N ATOM 0 H LYS A 13 8.208 -4.452 1.963 1.00 0.00 H new ATOM 0 HA LYS A 13 5.902 -4.053 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.098 -2.587 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.840 -1.847 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.982 -0.630 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.477 -1.527 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.528 -3.302 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.057 -2.447 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.967 -0.487 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.469 -1.393 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.694 -1.520 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.588 -3.059 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.039 -2.182 7.654 1.00 0.00 H new ATOM 170 N LYS A 14 5.557 -3.871 0.271 1.00 0.00 N ATOM 171 CA LYS A 14 4.602 -3.847 -0.825 1.00 0.00 C ATOM 172 C LYS A 14 3.502 -4.887 -0.605 1.00 0.00 C ATOM 173 O LYS A 14 2.310 -4.580 -0.717 1.00 0.00 O ATOM 174 CB LYS A 14 5.342 -4.116 -2.139 1.00 0.00 C ATOM 175 CG LYS A 14 4.513 -3.834 -3.380 1.00 0.00 C ATOM 176 CD LYS A 14 5.355 -3.913 -4.643 1.00 0.00 C ATOM 177 CE LYS A 14 6.029 -2.589 -4.971 1.00 0.00 C ATOM 178 NZ LYS A 14 7.085 -2.761 -5.998 1.00 0.00 N ATOM 0 H LYS A 14 6.519 -4.039 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 14 4.129 -2.866 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.243 -3.504 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.663 -5.157 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.694 -4.551 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.065 -2.844 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.115 -4.685 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.724 -4.214 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.284 -1.878 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.465 -2.166 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.205 -1.872 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.982 -3.013 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.810 -3.519 -6.655 1.00 0.00 H new ATOM 192 N HIS A 15 3.900 -6.109 -0.260 1.00 0.00 N ATOM 193 CA HIS A 15 2.933 -7.173 0.006 1.00 0.00 C ATOM 194 C HIS A 15 2.095 -6.838 1.235 1.00 0.00 C ATOM 195 O HIS A 15 0.881 -7.018 1.235 1.00 0.00 O ATOM 196 CB HIS A 15 3.634 -8.528 0.203 1.00 0.00 C ATOM 197 CG HIS A 15 2.702 -9.651 0.590 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.085 -10.714 1.385 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.395 -9.868 0.289 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.058 -11.530 1.552 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.024 -11.040 0.896 1.00 0.00 N ATOM 0 H HIS A 15 4.876 -6.387 -0.158 1.00 0.00 H new ATOM 0 HA HIS A 15 2.278 -7.250 -0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.147 -8.797 -0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.398 -8.422 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.764 -9.234 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.065 -12.443 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.098 -11.465 0.848 1.00 0.00 H new ATOM 210 N TYR A 16 2.739 -6.347 2.280 1.00 0.00 N ATOM 211 CA TYR A 16 2.041 -6.065 3.523 1.00 0.00 C ATOM 212 C TYR A 16 1.189 -4.803 3.405 1.00 0.00 C ATOM 213 O TYR A 16 0.242 -4.627 4.160 1.00 0.00 O ATOM 214 CB TYR A 16 3.030 -5.961 4.687 1.00 0.00 C ATOM 215 CG TYR A 16 2.460 -6.436 6.010 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.518 -7.457 6.056 1.00 0.00 C ATOM 217 CD2 TYR A 16 2.872 -5.877 7.211 1.00 0.00 C ATOM 218 CE1 TYR A 16 1.003 -7.901 7.259 1.00 0.00 C ATOM 219 CE2 TYR A 16 2.362 -6.315 8.418 1.00 0.00 C ATOM 220 CZ TYR A 16 1.429 -7.326 8.437 1.00 0.00 C ATOM 221 OH TYR A 16 0.922 -7.769 9.639 1.00 0.00 O ATOM 0 H TYR A 16 3.737 -6.136 2.293 1.00 0.00 H new ATOM 0 HA TYR A 16 1.366 -6.896 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.918 -6.547 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.350 -4.924 4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.183 -7.911 5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.605 -5.084 7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.271 -8.694 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.694 -5.866 9.342 1.00 0.00 H new ATOM 0 HH TYR A 16 1.327 -7.260 10.372 1.00 0.00 H new ATOM 231 N PHE A 17 1.503 -3.931 2.447 1.00 0.00 N ATOM 232 CA PHE A 17 0.651 -2.790 2.168 1.00 0.00 C ATOM 233 C PHE A 17 -0.582 -3.254 1.413 1.00 0.00 C ATOM 234 O PHE A 17 -1.641 -2.650 1.512 1.00 0.00 O ATOM 235 CB PHE A 17 1.376 -1.731 1.348 1.00 0.00 C ATOM 236 CG PHE A 17 0.562 -0.486 1.185 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.165 0.224 2.302 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.171 -0.040 -0.071 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.605 1.361 2.181 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.604 1.096 -0.197 1.00 0.00 C ATOM 241 CZ PHE A 17 -0.989 1.800 0.931 1.00 0.00 C ATOM 0 H PHE A 17 2.334 -3.997 1.860 1.00 0.00 H new ATOM 0 HA PHE A 17 0.367 -2.342 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.321 -1.484 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.617 -2.137 0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.462 -0.116 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.474 -0.584 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.907 1.907 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.910 1.435 -1.176 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.590 2.692 0.832 1.00 0.00 H new ATOM 251 N TRP A 18 -0.433 -4.340 0.670 1.00 0.00 N ATOM 252 CA TRP A 18 -1.569 -4.959 -0.020 1.00 0.00 C ATOM 253 C TRP A 18 -2.371 -5.715 1.013 1.00 0.00 C ATOM 254 O TRP A 18 -3.591 -5.744 0.986 1.00 0.00 O ATOM 255 CB TRP A 18 -1.082 -5.903 -1.130 1.00 0.00 C ATOM 256 CG TRP A 18 -2.140 -6.492 -2.051 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.913 -7.504 -2.940 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.544 -6.137 -2.221 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.054 -7.799 -3.639 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.061 -6.988 -3.221 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.419 -5.197 -1.649 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.381 -6.942 -3.644 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.742 -5.155 -2.086 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.201 -6.020 -3.074 1.00 0.00 C ATOM 0 H TRP A 18 0.458 -4.815 0.526 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.186 -4.197 -0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.363 -5.361 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.544 -6.727 -0.662 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.965 -8.003 -3.074 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.135 -8.515 -4.360 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.072 -4.519 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.746 -7.618 -4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.422 -4.439 -1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.230 -5.958 -3.395 1.00 0.00 H new ATOM 275 N LEU A 19 -1.663 -6.271 1.974 1.00 0.00 N ATOM 276 CA LEU A 19 -2.291 -6.986 3.061 1.00 0.00 C ATOM 277 C LEU A 19 -2.984 -5.955 3.950 1.00 0.00 C ATOM 278 O LEU A 19 -4.040 -6.205 4.519 1.00 0.00 O ATOM 279 CB LEU A 19 -1.236 -7.806 3.822 1.00 0.00 C ATOM 280 CG LEU A 19 -1.750 -9.072 4.507 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.616 -10.063 4.720 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.394 -8.721 5.830 1.00 0.00 C ATOM 0 H LEU A 19 -0.645 -6.240 2.022 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.035 -7.696 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.448 -8.087 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.780 -7.166 4.577 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.496 -9.537 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.002 -10.958 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.184 -10.334 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.151 -9.609 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.757 -9.630 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.660 -8.238 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.230 -8.042 5.659 1.00 0.00 H new ATOM 294 N LEU A 20 -2.384 -4.773 4.013 1.00 0.00 N ATOM 295 CA LEU A 20 -2.969 -3.618 4.694 1.00 0.00 C ATOM 296 C LEU A 20 -4.185 -3.107 3.914 1.00 0.00 C ATOM 297 O LEU A 20 -5.265 -2.923 4.486 1.00 0.00 O ATOM 298 CB LEU A 20 -1.893 -2.513 4.826 1.00 0.00 C ATOM 299 CG LEU A 20 -2.192 -1.330 5.753 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.395 -0.507 5.301 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.368 -1.826 7.168 1.00 0.00 C ATOM 0 H LEU A 20 -1.474 -4.585 3.592 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.306 -3.907 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.971 -2.983 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.697 -2.116 3.830 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.338 -0.654 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.556 0.316 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.208 -0.107 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.281 -1.141 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.581 -0.983 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.197 -2.533 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.454 -2.321 7.496 1.00 0.00 H new ATOM 313 N LEU A 21 -4.010 -2.891 2.613 1.00 0.00 N ATOM 314 CA LEU A 21 -5.032 -2.306 1.776 1.00 0.00 C ATOM 315 C LEU A 21 -6.188 -3.308 1.592 1.00 0.00 C ATOM 316 O LEU A 21 -7.346 -2.912 1.491 1.00 0.00 O ATOM 317 CB LEU A 21 -4.354 -1.911 0.447 1.00 0.00 C ATOM 318 CG LEU A 21 -4.991 -0.800 -0.419 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.501 -0.760 -0.311 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.389 0.535 -0.048 1.00 0.00 C ATOM 0 H LEU A 21 -3.149 -3.121 2.116 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.474 -1.415 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.334 -1.604 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.286 -2.809 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.769 -1.028 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.890 0.040 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.915 -1.714 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.787 -0.577 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.838 1.319 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.581 0.741 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.313 0.510 -0.223 1.00 0.00 H new ATOM 332 N GLN A 22 -5.878 -4.609 1.585 1.00 0.00 N ATOM 333 CA GLN A 22 -6.914 -5.646 1.472 1.00 0.00 C ATOM 334 C GLN A 22 -7.629 -5.855 2.804 1.00 0.00 C ATOM 335 O GLN A 22 -8.847 -6.040 2.835 1.00 0.00 O ATOM 336 CB GLN A 22 -6.325 -6.981 0.996 1.00 0.00 C ATOM 337 CG GLN A 22 -7.355 -8.100 0.907 1.00 0.00 C ATOM 338 CD GLN A 22 -6.776 -9.394 0.367 1.00 0.00 C ATOM 339 OE1 GLN A 22 -6.273 -10.227 1.121 1.00 0.00 O ATOM 340 NE2 GLN A 22 -6.853 -9.575 -0.941 1.00 0.00 N ATOM 0 H GLN A 22 -4.926 -4.969 1.656 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.633 -5.297 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.868 -6.839 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.530 -7.283 1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.774 -8.281 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.177 -7.780 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.278 -8.859 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.488 -10.430 -1.360 1.00 0.00 H new ATOM 349 N ARG A 23 -6.856 -5.847 3.891 1.00 0.00 N ATOM 350 CA ARG A 23 -7.406 -5.925 5.246 1.00 0.00 C ATOM 351 C ARG A 23 -8.521 -4.917 5.412 1.00 0.00 C ATOM 352 O ARG A 23 -9.624 -5.234 5.858 1.00 0.00 O ATOM 353 CB ARG A 23 -6.323 -5.583 6.265 1.00 0.00 C ATOM 354 CG ARG A 23 -6.816 -5.522 7.696 1.00 0.00 C ATOM 355 CD ARG A 23 -5.748 -4.943 8.582 1.00 0.00 C ATOM 356 NE ARG A 23 -5.317 -3.673 8.047 1.00 0.00 N ATOM 357 CZ ARG A 23 -5.371 -2.543 8.708 1.00 0.00 C ATOM 358 NH1 ARG A 23 -5.527 -2.520 10.025 1.00 0.00 N ATOM 359 NH2 ARG A 23 -5.226 -1.431 8.042 1.00 0.00 N ATOM 0 H ARG A 23 -5.838 -5.787 3.858 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.779 -6.937 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.528 -6.326 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.883 -4.621 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.718 -4.912 7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.084 -6.521 8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.131 -4.813 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.903 -5.628 8.647 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.948 -3.654 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.608 -3.394 10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.566 -1.628 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.075 -1.456 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.263 -0.536 8.530 1.00 0.00 H new ATOM 373 N THR A 24 -8.199 -3.696 5.039 1.00 0.00 N ATOM 374 CA THR A 24 -9.100 -2.593 5.200 1.00 0.00 C ATOM 375 C THR A 24 -10.156 -2.605 4.105 1.00 0.00 C ATOM 376 O THR A 24 -11.347 -2.737 4.375 1.00 0.00 O ATOM 377 CB THR A 24 -8.326 -1.267 5.164 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.071 -1.415 5.847 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.133 -0.175 5.824 1.00 0.00 C ATOM 0 H THR A 24 -7.304 -3.449 4.617 1.00 0.00 H new ATOM 0 HA THR A 24 -9.595 -2.690 6.166 1.00 0.00 H new ATOM 0 HB THR A 24 -8.143 -0.997 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.418 -1.828 5.245 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.574 0.760 5.792 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.078 -0.051 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.330 -0.445 6.861 1.00 0.00 H new ATOM 387 N TYR A 25 -9.705 -2.501 2.865 1.00 0.00 N ATOM 388 CA TYR A 25 -10.613 -2.451 1.738 1.00 0.00 C ATOM 389 C TYR A 25 -10.644 -3.804 1.045 1.00 0.00 C ATOM 390 O TYR A 25 -9.834 -4.080 0.153 1.00 0.00 O ATOM 391 CB TYR A 25 -10.195 -1.362 0.744 1.00 0.00 C ATOM 392 CG TYR A 25 -9.953 0.005 1.357 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.512 0.375 2.577 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.161 0.933 0.699 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.278 1.623 3.116 1.00 0.00 C ATOM 396 CE2 TYR A 25 -8.929 2.182 1.233 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.488 2.520 2.437 1.00 0.00 C ATOM 398 OH TYR A 25 -9.240 3.756 2.965 1.00 0.00 O ATOM 0 H TYR A 25 -8.717 -2.450 2.617 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.609 -2.209 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.285 -1.683 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.969 -1.270 -0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.138 -0.326 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.717 0.672 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.713 1.894 4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.309 2.891 0.705 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.600 4.232 2.396 1.00 0.00 H new ATOM 408 N THR A 26 -11.564 -4.645 1.479 1.00 0.00 N ATOM 409 CA THR A 26 -11.685 -5.996 0.961 1.00 0.00 C ATOM 410 C THR A 26 -12.494 -6.026 -0.333 1.00 0.00 C ATOM 411 O THR A 26 -12.440 -5.099 -1.142 1.00 0.00 O ATOM 412 CB THR A 26 -12.369 -6.894 2.006 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.533 -6.164 3.228 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.551 -8.155 2.258 1.00 0.00 C ATOM 0 H THR A 26 -12.248 -4.412 2.199 1.00 0.00 H new ATOM 0 HA THR A 26 -10.681 -6.364 0.749 1.00 0.00 H new ATOM 0 HB THR A 26 -13.345 -7.193 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.970 -6.735 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.055 -8.773 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.449 -8.715 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.562 -7.880 2.626 1.00 0.00 H new ATOM 422 N LYS A 27 -13.213 -7.119 -0.540 1.00 0.00 N ATOM 423 CA LYS A 27 -14.082 -7.259 -1.696 1.00 0.00 C ATOM 424 C LYS A 27 -15.542 -7.074 -1.313 1.00 0.00 C ATOM 425 O LYS A 27 -16.388 -6.810 -2.164 1.00 0.00 O ATOM 426 CB LYS A 27 -13.873 -8.622 -2.347 1.00 0.00 C ATOM 427 CG LYS A 27 -13.436 -9.704 -1.372 1.00 0.00 C ATOM 428 CD LYS A 27 -13.357 -11.063 -2.048 1.00 0.00 C ATOM 429 CE LYS A 27 -12.506 -12.033 -1.249 1.00 0.00 C ATOM 430 NZ LYS A 27 -12.508 -13.394 -1.842 1.00 0.00 N ATOM 0 H LYS A 27 -13.210 -7.927 0.083 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.822 -6.479 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.801 -8.932 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.123 -8.529 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.463 -9.447 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.138 -9.751 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.361 -11.471 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.939 -10.949 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.483 -11.661 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.878 -12.083 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.641 -13.896 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.338 -13.920 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.547 -13.321 -2.879 1.00 0.00 H new ATOM 444 N THR A 28 -15.835 -7.213 -0.029 1.00 0.00 N ATOM 445 CA THR A 28 -17.196 -7.050 0.455 1.00 0.00 C ATOM 446 C THR A 28 -17.242 -6.091 1.641 1.00 0.00 C ATOM 447 O THR A 28 -18.270 -5.468 1.897 1.00 0.00 O ATOM 448 CB THR A 28 -17.813 -8.407 0.854 1.00 0.00 C ATOM 449 OG1 THR A 28 -19.187 -8.243 1.232 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.036 -9.038 1.997 1.00 0.00 C ATOM 0 H THR A 28 -15.151 -7.437 0.694 1.00 0.00 H new ATOM 0 HA THR A 28 -17.784 -6.629 -0.361 1.00 0.00 H new ATOM 0 HB THR A 28 -17.760 -9.068 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.564 -9.113 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.489 -9.994 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.003 -9.199 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.058 -8.375 2.862 1.00 0.00 H new ATOM 458 N GLY A 29 -16.135 -6.005 2.378 1.00 0.00 N ATOM 459 CA GLY A 29 -16.042 -5.079 3.474 1.00 0.00 C ATOM 460 C GLY A 29 -16.018 -3.639 3.003 1.00 0.00 C ATOM 461 O GLY A 29 -17.062 -3.025 2.788 1.00 0.00 O ATOM 0 H GLY A 29 -15.299 -6.570 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.888 -5.226 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.139 -5.287 4.048 1.00 0.00 H new ATOM 465 N LYS A 30 -14.823 -3.089 2.866 1.00 0.00 N ATOM 466 CA LYS A 30 -14.651 -1.788 2.249 1.00 0.00 C ATOM 467 C LYS A 30 -14.337 -1.962 0.774 1.00 0.00 C ATOM 468 O LYS A 30 -13.429 -2.708 0.420 1.00 0.00 O ATOM 469 CB LYS A 30 -13.523 -1.012 2.934 1.00 0.00 C ATOM 470 CG LYS A 30 -13.860 -0.556 4.341 1.00 0.00 C ATOM 471 CD LYS A 30 -15.010 0.432 4.332 1.00 0.00 C ATOM 472 CE LYS A 30 -15.377 0.877 5.733 1.00 0.00 C ATOM 473 NZ LYS A 30 -14.245 1.551 6.425 1.00 0.00 N ATOM 0 H LYS A 30 -13.955 -3.527 3.176 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.576 -1.222 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.632 -1.639 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.275 -0.140 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.122 -1.419 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.984 -0.095 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.738 1.301 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.878 -0.024 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.228 1.557 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.693 0.012 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.838 0.907 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.516 1.807 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.590 2.411 6.898 1.00 0.00 H new ATOM 487 N PRO A 31 -15.091 -1.301 -0.108 1.00 0.00 N ATOM 488 CA PRO A 31 -14.801 -1.314 -1.538 1.00 0.00 C ATOM 489 C PRO A 31 -13.422 -0.755 -1.821 1.00 0.00 C ATOM 490 O PRO A 31 -13.009 0.211 -1.182 1.00 0.00 O ATOM 491 CB PRO A 31 -15.870 -0.393 -2.143 1.00 0.00 C ATOM 492 CG PRO A 31 -16.387 0.402 -0.994 1.00 0.00 C ATOM 493 CD PRO A 31 -16.278 -0.494 0.205 1.00 0.00 C ATOM 0 HA PRO A 31 -14.817 -2.323 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.446 0.253 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.666 -0.969 -2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.805 1.313 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.420 0.706 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.151 0.075 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.167 -1.112 0.332 1.00 0.00 H new ATOM 501 N LYS A 32 -12.688 -1.382 -2.733 1.00 0.00 N ATOM 502 CA LYS A 32 -11.442 -0.817 -3.196 1.00 0.00 C ATOM 503 C LYS A 32 -11.727 0.449 -3.993 1.00 0.00 C ATOM 504 O LYS A 32 -12.323 0.393 -5.068 1.00 0.00 O ATOM 505 CB LYS A 32 -10.653 -1.838 -4.021 1.00 0.00 C ATOM 506 CG LYS A 32 -9.370 -1.294 -4.637 1.00 0.00 C ATOM 507 CD LYS A 32 -8.209 -2.242 -4.412 1.00 0.00 C ATOM 508 CE LYS A 32 -7.796 -2.298 -2.946 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.759 -3.043 -2.083 1.00 0.00 N ATOM 0 H LYS A 32 -12.938 -2.274 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.823 -0.555 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.404 -2.687 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.293 -2.215 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.514 -1.139 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.139 -0.322 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.485 -3.241 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.359 -1.925 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.815 -2.768 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.693 -1.281 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.267 -3.395 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.530 -2.408 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.152 -3.846 -2.614 1.00 0.00 H new ATOM 523 N PRO A 33 -11.350 1.598 -3.406 1.00 0.00 N ATOM 524 CA PRO A 33 -11.537 2.940 -3.958 1.00 0.00 C ATOM 525 C PRO A 33 -11.516 3.047 -5.477 1.00 0.00 C ATOM 526 O PRO A 33 -10.755 2.363 -6.159 1.00 0.00 O ATOM 527 CB PRO A 33 -10.326 3.643 -3.387 1.00 0.00 C ATOM 528 CG PRO A 33 -10.167 3.071 -2.031 1.00 0.00 C ATOM 529 CD PRO A 33 -10.705 1.685 -2.083 1.00 0.00 C ATOM 0 HA PRO A 33 -12.520 3.338 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.441 3.467 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.476 4.722 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.118 3.068 -1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.705 3.667 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.911 0.945 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.419 1.504 -1.279 1.00 0.00 H new ATOM 537 N SER A 34 -12.341 3.954 -5.983 1.00 0.00 N ATOM 538 CA SER A 34 -12.346 4.285 -7.400 1.00 0.00 C ATOM 539 C SER A 34 -11.255 5.310 -7.674 1.00 0.00 C ATOM 540 O SER A 34 -10.855 5.544 -8.815 1.00 0.00 O ATOM 541 CB SER A 34 -13.716 4.834 -7.798 1.00 0.00 C ATOM 542 OG SER A 34 -14.739 3.933 -7.413 1.00 0.00 O ATOM 0 H SER A 34 -13.019 4.476 -5.428 1.00 0.00 H new ATOM 0 HA SER A 34 -12.151 3.391 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.878 5.802 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.751 4.996 -8.875 1.00 0.00 H new ATOM 0 HG SER A 34 -15.611 4.298 -7.672 1.00 0.00 H new ATOM 548 N THR A 35 -10.779 5.905 -6.593 1.00 0.00 N ATOM 549 CA THR A 35 -9.718 6.886 -6.640 1.00 0.00 C ATOM 550 C THR A 35 -8.885 6.777 -5.370 1.00 0.00 C ATOM 551 O THR A 35 -9.423 6.542 -4.285 1.00 0.00 O ATOM 552 CB THR A 35 -10.276 8.317 -6.758 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.297 8.373 -7.764 1.00 0.00 O ATOM 554 CG2 THR A 35 -9.163 9.283 -7.113 1.00 0.00 C ATOM 0 H THR A 35 -11.124 5.716 -5.652 1.00 0.00 H new ATOM 0 HA THR A 35 -9.106 6.687 -7.520 1.00 0.00 H new ATOM 0 HB THR A 35 -10.706 8.600 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.644 9.287 -7.827 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.569 10.292 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.400 9.260 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.719 8.993 -8.065 1.00 0.00 H new ATOM 562 N TRP A 36 -7.583 6.961 -5.501 1.00 0.00 N ATOM 563 CA TRP A 36 -6.673 6.846 -4.370 1.00 0.00 C ATOM 564 C TRP A 36 -6.870 8.002 -3.375 1.00 0.00 C ATOM 565 O TRP A 36 -6.378 7.953 -2.253 1.00 0.00 O ATOM 566 CB TRP A 36 -5.228 6.727 -4.890 1.00 0.00 C ATOM 567 CG TRP A 36 -4.139 6.993 -3.890 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.273 8.053 -3.869 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.791 6.169 -2.776 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.402 7.928 -2.807 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.711 6.781 -2.118 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.297 4.977 -2.273 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.130 6.228 -0.983 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.721 4.429 -1.151 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.650 5.056 -0.513 1.00 0.00 C ATOM 0 H TRP A 36 -7.128 7.192 -6.384 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.896 5.939 -3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.089 5.722 -5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.105 7.420 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.272 8.867 -4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.653 8.579 -2.572 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.130 4.488 -2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.297 6.708 -0.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.103 3.499 -0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.223 4.605 0.371 1.00 0.00 H new ATOM 586 N ASP A 37 -7.650 9.013 -3.766 1.00 0.00 N ATOM 587 CA ASP A 37 -7.925 10.163 -2.891 1.00 0.00 C ATOM 588 C ASP A 37 -8.755 9.747 -1.683 1.00 0.00 C ATOM 589 O ASP A 37 -8.378 9.994 -0.534 1.00 0.00 O ATOM 590 CB ASP A 37 -8.681 11.252 -3.654 1.00 0.00 C ATOM 591 CG ASP A 37 -8.945 12.481 -2.804 1.00 0.00 C ATOM 592 OD1 ASP A 37 -8.070 13.371 -2.748 1.00 0.00 O ATOM 593 OD2 ASP A 37 -10.030 12.563 -2.192 1.00 0.00 O ATOM 0 H ASP A 37 -8.102 9.062 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.964 10.550 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.106 11.540 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.630 10.850 -4.010 1.00 0.00 H new ATOM 598 N LEU A 38 -9.877 9.084 -1.946 1.00 0.00 N ATOM 599 CA LEU A 38 -10.747 8.606 -0.879 1.00 0.00 C ATOM 600 C LEU A 38 -10.054 7.489 -0.110 1.00 0.00 C ATOM 601 O LEU A 38 -10.228 7.332 1.109 1.00 0.00 O ATOM 602 CB LEU A 38 -12.089 8.121 -1.452 1.00 0.00 C ATOM 603 CG LEU A 38 -11.999 7.087 -2.587 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.700 5.791 -2.218 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.600 7.646 -3.861 1.00 0.00 C ATOM 0 H LEU A 38 -10.204 8.866 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.952 9.429 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.675 7.691 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.640 8.987 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.943 6.870 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.616 5.084 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.235 5.367 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.753 5.991 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.528 6.902 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.647 7.895 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.057 8.544 -4.156 1.00 0.00 H new ATOM 617 N ALA A 39 -9.223 6.753 -0.834 1.00 0.00 N ATOM 618 CA ALA A 39 -8.494 5.645 -0.266 1.00 0.00 C ATOM 619 C ALA A 39 -7.503 6.140 0.750 1.00 0.00 C ATOM 620 O ALA A 39 -7.512 5.704 1.887 1.00 0.00 O ATOM 621 CB ALA A 39 -7.777 4.886 -1.359 1.00 0.00 C ATOM 0 H ALA A 39 -9.041 6.911 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.199 4.977 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.229 4.051 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.505 4.507 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.080 5.552 -1.867 1.00 0.00 H new ATOM 627 N SER A 40 -6.690 7.093 0.343 1.00 0.00 N ATOM 628 CA SER A 40 -5.665 7.624 1.215 1.00 0.00 C ATOM 629 C SER A 40 -6.266 8.395 2.383 1.00 0.00 C ATOM 630 O SER A 40 -5.615 8.551 3.416 1.00 0.00 O ATOM 631 CB SER A 40 -4.715 8.513 0.427 1.00 0.00 C ATOM 632 OG SER A 40 -5.417 9.514 -0.289 1.00 0.00 O ATOM 0 H SER A 40 -6.720 7.515 -0.585 1.00 0.00 H new ATOM 0 HA SER A 40 -5.108 6.782 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.004 8.981 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.137 7.904 -0.268 1.00 0.00 H new ATOM 0 HG SER A 40 -5.700 9.158 -1.157 1.00 0.00 H new ATOM 638 N LYS A 41 -7.498 8.886 2.227 1.00 0.00 N ATOM 639 CA LYS A 41 -8.169 9.563 3.331 1.00 0.00 C ATOM 640 C LYS A 41 -8.426 8.592 4.480 1.00 0.00 C ATOM 641 O LYS A 41 -8.045 8.858 5.621 1.00 0.00 O ATOM 642 CB LYS A 41 -9.518 10.148 2.911 1.00 0.00 C ATOM 643 CG LYS A 41 -10.147 11.000 3.997 1.00 0.00 C ATOM 644 CD LYS A 41 -11.655 10.994 3.892 1.00 0.00 C ATOM 645 CE LYS A 41 -12.106 11.248 2.470 1.00 0.00 C ATOM 646 NZ LYS A 41 -13.549 11.605 2.415 1.00 0.00 N ATOM 0 H LYS A 41 -8.039 8.828 1.364 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.506 10.369 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.385 10.751 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.197 9.336 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.847 10.626 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.779 12.023 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.042 10.034 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.071 11.757 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.513 12.054 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.926 10.359 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.828 11.773 1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.115 10.825 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.715 12.467 2.973 1.00 0.00 H new ATOM 660 N GLU A 42 -9.062 7.460 4.176 1.00 0.00 N ATOM 661 CA GLU A 42 -9.408 6.499 5.222 1.00 0.00 C ATOM 662 C GLU A 42 -8.194 5.627 5.552 1.00 0.00 C ATOM 663 O GLU A 42 -8.084 5.066 6.645 1.00 0.00 O ATOM 664 CB GLU A 42 -10.622 5.651 4.798 1.00 0.00 C ATOM 665 CG GLU A 42 -11.196 4.781 5.913 1.00 0.00 C ATOM 666 CD GLU A 42 -12.435 4.007 5.489 1.00 0.00 C ATOM 667 OE1 GLU A 42 -13.538 4.592 5.483 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.321 2.802 5.188 1.00 0.00 O ATOM 0 H GLU A 42 -9.343 7.190 3.233 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.690 7.039 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.405 6.315 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.331 5.010 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.433 4.078 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.444 5.412 6.767 1.00 0.00 H new ATOM 675 N LEU A 43 -7.267 5.547 4.601 1.00 0.00 N ATOM 676 CA LEU A 43 -6.039 4.785 4.773 1.00 0.00 C ATOM 677 C LEU A 43 -5.087 5.498 5.724 1.00 0.00 C ATOM 678 O LEU A 43 -4.274 4.856 6.398 1.00 0.00 O ATOM 679 CB LEU A 43 -5.333 4.597 3.429 1.00 0.00 C ATOM 680 CG LEU A 43 -4.824 3.187 3.137 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.033 2.644 4.307 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.986 2.274 2.799 1.00 0.00 C ATOM 0 H LEU A 43 -7.348 6.007 3.694 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.310 3.815 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.021 4.886 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.488 5.284 3.384 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.155 3.231 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.682 1.639 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.178 3.292 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.669 2.610 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.613 1.271 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.677 2.238 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.505 2.656 1.920 1.00 0.00 H new ATOM 694 N GLY A 44 -5.178 6.825 5.767 1.00 0.00 N ATOM 695 CA GLY A 44 -4.234 7.599 6.543 1.00 0.00 C ATOM 696 C GLY A 44 -4.469 7.478 8.025 1.00 0.00 C ATOM 697 O GLY A 44 -5.007 8.382 8.666 1.00 0.00 O ATOM 0 H GLY A 44 -5.887 7.373 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.221 7.269 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.303 8.647 6.252 1.00 0.00 H new ATOM 701 N GLU A 45 -4.033 6.348 8.549 1.00 0.00 N ATOM 702 CA GLU A 45 -4.140 6.005 9.929 1.00 0.00 C ATOM 703 C GLU A 45 -3.497 4.638 10.114 1.00 0.00 C ATOM 704 O GLU A 45 -2.877 4.359 11.141 1.00 0.00 O ATOM 705 CB GLU A 45 -5.593 5.993 10.413 1.00 0.00 C ATOM 706 CG GLU A 45 -5.723 6.133 11.920 1.00 0.00 C ATOM 707 CD GLU A 45 -5.212 7.469 12.424 1.00 0.00 C ATOM 708 OE1 GLU A 45 -3.992 7.603 12.644 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.036 8.395 12.595 1.00 0.00 O ATOM 0 H GLU A 45 -3.579 5.625 7.991 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.629 6.758 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.136 6.806 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.066 5.063 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.769 6.017 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.170 5.329 12.406 1.00 0.00 H new ATOM 716 N SER A 46 -3.622 3.795 9.087 1.00 0.00 N ATOM 717 CA SER A 46 -2.912 2.532 9.065 1.00 0.00 C ATOM 718 C SER A 46 -1.483 2.792 8.630 1.00 0.00 C ATOM 719 O SER A 46 -1.230 3.185 7.488 1.00 0.00 O ATOM 720 CB SER A 46 -3.601 1.534 8.132 1.00 0.00 C ATOM 721 OG SER A 46 -4.921 1.250 8.565 1.00 0.00 O ATOM 0 H SER A 46 -4.206 3.970 8.269 1.00 0.00 H new ATOM 0 HA SER A 46 -2.915 2.090 10.061 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.627 1.938 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.023 0.611 8.092 1.00 0.00 H new ATOM 0 HG SER A 46 -5.516 1.196 7.788 1.00 0.00 H new ATOM 727 N LEU A 47 -0.556 2.571 9.551 1.00 0.00 N ATOM 728 CA LEU A 47 0.805 3.049 9.415 1.00 0.00 C ATOM 729 C LEU A 47 1.579 2.393 8.280 1.00 0.00 C ATOM 730 O LEU A 47 2.684 2.836 7.975 1.00 0.00 O ATOM 731 CB LEU A 47 1.596 2.942 10.746 1.00 0.00 C ATOM 732 CG LEU A 47 1.311 1.749 11.689 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.068 1.848 12.336 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.476 0.434 10.950 1.00 0.00 C ATOM 0 H LEU A 47 -0.730 2.054 10.413 1.00 0.00 H new ATOM 0 HA LEU A 47 0.705 4.102 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.657 2.921 10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.419 3.858 11.310 1.00 0.00 H new ATOM 0 HG LEU A 47 2.043 1.786 12.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.226 0.990 12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.131 2.766 12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.834 1.859 11.560 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.272 -0.393 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.779 0.397 10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.497 0.352 10.576 1.00 0.00 H new ATOM 746 N GLU A 48 1.014 1.397 7.598 1.00 0.00 N ATOM 747 CA GLU A 48 1.775 0.789 6.528 1.00 0.00 C ATOM 748 C GLU A 48 1.689 1.663 5.294 1.00 0.00 C ATOM 749 O GLU A 48 2.547 1.617 4.420 1.00 0.00 O ATOM 750 CB GLU A 48 1.235 -0.598 6.181 1.00 0.00 C ATOM 751 CG GLU A 48 2.321 -1.567 5.756 1.00 0.00 C ATOM 752 CD GLU A 48 3.279 -1.913 6.881 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.597 -1.028 7.700 1.00 0.00 O ATOM 754 OE2 GLU A 48 3.743 -3.066 6.936 1.00 0.00 O ATOM 0 H GLU A 48 0.082 1.016 7.760 1.00 0.00 H new ATOM 0 HA GLU A 48 2.808 0.690 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.711 -1.005 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.503 -0.507 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.859 -2.482 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.883 -1.135 4.928 1.00 0.00 H new ATOM 761 N TYR A 49 0.712 2.555 5.286 1.00 0.00 N ATOM 762 CA TYR A 49 0.614 3.531 4.221 1.00 0.00 C ATOM 763 C TYR A 49 1.477 4.725 4.555 1.00 0.00 C ATOM 764 O TYR A 49 1.809 5.544 3.693 1.00 0.00 O ATOM 765 CB TYR A 49 -0.869 3.889 4.013 1.00 0.00 C ATOM 766 CG TYR A 49 -1.207 5.351 3.804 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.250 5.878 2.526 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.531 6.186 4.871 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.595 7.197 2.309 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.886 7.505 4.658 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.914 8.006 3.379 1.00 0.00 C ATOM 772 OH TYR A 49 -2.284 9.312 3.170 1.00 0.00 O ATOM 0 H TYR A 49 -0.016 2.621 5.998 1.00 0.00 H new ATOM 0 HA TYR A 49 0.986 3.131 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.233 3.332 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.427 3.534 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.010 5.247 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.504 5.798 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.615 7.594 1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.140 8.139 5.494 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.476 9.739 4.031 1.00 0.00 H new ATOM 782 N LYS A 50 1.874 4.788 5.815 1.00 0.00 N ATOM 783 CA LYS A 50 2.834 5.765 6.256 1.00 0.00 C ATOM 784 C LYS A 50 4.239 5.190 6.137 1.00 0.00 C ATOM 785 O LYS A 50 5.235 5.905 6.239 1.00 0.00 O ATOM 786 CB LYS A 50 2.508 6.171 7.688 1.00 0.00 C ATOM 787 CG LYS A 50 2.514 7.669 7.906 1.00 0.00 C ATOM 788 CD LYS A 50 2.287 8.031 9.364 1.00 0.00 C ATOM 789 CE LYS A 50 1.085 7.307 9.946 1.00 0.00 C ATOM 790 NZ LYS A 50 0.639 7.926 11.223 1.00 0.00 N ATOM 0 H LYS A 50 1.538 4.165 6.550 1.00 0.00 H new ATOM 0 HA LYS A 50 2.787 6.656 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.528 5.777 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.231 5.711 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.467 8.080 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.738 8.128 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.176 7.782 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.140 9.107 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.266 7.324 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.337 6.260 10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.183 7.407 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.413 7.887 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.375 8.918 11.054 1.00 0.00 H new ATOM 804 N ALA A 51 4.299 3.879 5.891 1.00 0.00 N ATOM 805 CA ALA A 51 5.565 3.176 5.738 1.00 0.00 C ATOM 806 C ALA A 51 6.009 3.290 4.306 1.00 0.00 C ATOM 807 O ALA A 51 7.097 2.866 3.916 1.00 0.00 O ATOM 808 CB ALA A 51 5.409 1.720 6.134 1.00 0.00 C ATOM 0 H ALA A 51 3.477 3.284 5.794 1.00 0.00 H new ATOM 0 HA ALA A 51 6.317 3.622 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.363 1.206 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.091 1.658 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.661 1.248 5.497 1.00 0.00 H new ATOM 814 N LEU A 52 5.120 3.878 3.546 1.00 0.00 N ATOM 815 CA LEU A 52 5.211 3.921 2.116 1.00 0.00 C ATOM 816 C LEU A 52 4.904 5.344 1.658 1.00 0.00 C ATOM 817 O LEU A 52 4.428 5.582 0.549 1.00 0.00 O ATOM 818 CB LEU A 52 4.216 2.891 1.569 1.00 0.00 C ATOM 819 CG LEU A 52 4.236 2.642 0.074 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.618 2.229 -0.381 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.234 1.561 -0.275 1.00 0.00 C ATOM 0 H LEU A 52 4.295 4.350 3.917 1.00 0.00 H new ATOM 0 HA LEU A 52 6.205 3.670 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.399 1.942 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.211 3.210 1.846 1.00 0.00 H new ATOM 0 HG LEU A 52 3.967 3.566 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.610 2.055 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.330 3.020 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.911 1.313 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.250 1.384 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.494 0.641 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.236 1.879 0.025 1.00 0.00 H new ATOM 833 N GLY A 53 5.203 6.294 2.544 1.00 0.00 N ATOM 834 CA GLY A 53 4.979 7.698 2.252 1.00 0.00 C ATOM 835 C GLY A 53 6.190 8.347 1.665 1.00 0.00 C ATOM 836 O GLY A 53 6.287 9.573 1.579 1.00 0.00 O ATOM 0 H GLY A 53 5.600 6.111 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.143 7.795 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.696 8.218 3.167 1.00 0.00 H new ATOM 840 N ASP A 54 7.119 7.515 1.283 1.00 0.00 N ATOM 841 CA ASP A 54 8.294 7.950 0.590 1.00 0.00 C ATOM 842 C ASP A 54 8.224 7.474 -0.855 1.00 0.00 C ATOM 843 O ASP A 54 8.583 8.202 -1.782 1.00 0.00 O ATOM 844 CB ASP A 54 9.540 7.439 1.304 1.00 0.00 C ATOM 845 CG ASP A 54 9.611 5.923 1.435 1.00 0.00 C ATOM 846 OD1 ASP A 54 8.547 5.261 1.409 1.00 0.00 O ATOM 847 OD2 ASP A 54 10.736 5.390 1.600 1.00 0.00 O ATOM 0 H ASP A 54 7.079 6.509 1.446 1.00 0.00 H new ATOM 0 HA ASP A 54 8.350 9.039 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.421 7.787 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.580 7.880 2.300 1.00 0.00 H new ATOM 852 N GLU A 55 7.730 6.258 -1.039 1.00 0.00 N ATOM 853 CA GLU A 55 7.371 5.771 -2.360 1.00 0.00 C ATOM 854 C GLU A 55 5.892 6.059 -2.629 1.00 0.00 C ATOM 855 O GLU A 55 5.119 5.147 -2.917 1.00 0.00 O ATOM 856 CB GLU A 55 7.644 4.266 -2.483 1.00 0.00 C ATOM 857 CG GLU A 55 9.097 3.876 -2.264 1.00 0.00 C ATOM 858 CD GLU A 55 10.055 4.697 -3.103 1.00 0.00 C ATOM 859 OE1 GLU A 55 10.109 4.483 -4.334 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.756 5.562 -2.542 1.00 0.00 O ATOM 0 H GLU A 55 7.569 5.589 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 55 7.983 6.288 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.024 3.736 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.335 3.932 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.347 3.998 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.225 2.820 -2.502 1.00 0.00 H new ATOM 867 N ASP A 56 5.506 7.337 -2.539 1.00 0.00 N ATOM 868 CA ASP A 56 4.101 7.734 -2.684 1.00 0.00 C ATOM 869 C ASP A 56 3.536 7.311 -4.030 1.00 0.00 C ATOM 870 O ASP A 56 2.444 6.764 -4.071 1.00 0.00 O ATOM 871 CB ASP A 56 3.906 9.245 -2.501 1.00 0.00 C ATOM 872 CG ASP A 56 4.492 10.066 -3.631 1.00 0.00 C ATOM 873 OD1 ASP A 56 5.726 10.238 -3.674 1.00 0.00 O ATOM 874 OD2 ASP A 56 3.717 10.539 -4.485 1.00 0.00 O ATOM 0 H ASP A 56 6.146 8.113 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 56 3.557 7.218 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.840 9.460 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.365 9.552 -1.562 1.00 0.00 H new ATOM 879 N ASN A 57 4.290 7.515 -5.120 1.00 0.00 N ATOM 880 CA ASN A 57 3.802 7.202 -6.471 1.00 0.00 C ATOM 881 C ASN A 57 3.741 5.700 -6.660 1.00 0.00 C ATOM 882 O ASN A 57 2.906 5.189 -7.405 1.00 0.00 O ATOM 883 CB ASN A 57 4.683 7.854 -7.553 1.00 0.00 C ATOM 884 CG ASN A 57 6.095 8.135 -7.075 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.680 9.164 -7.405 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.662 7.204 -6.325 1.00 0.00 N ATOM 0 H ASN A 57 5.237 7.894 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 57 2.799 7.615 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.723 7.200 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.222 8.787 -7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.620 7.326 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.141 6.364 -6.074 1.00 0.00 H new ATOM 893 N ILE A 58 4.598 4.991 -5.938 1.00 0.00 N ATOM 894 CA ILE A 58 4.555 3.548 -5.935 1.00 0.00 C ATOM 895 C ILE A 58 3.285 3.130 -5.214 1.00 0.00 C ATOM 896 O ILE A 58 2.450 2.431 -5.764 1.00 0.00 O ATOM 897 CB ILE A 58 5.796 2.943 -5.220 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.023 2.915 -6.140 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.511 1.540 -4.698 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.511 4.275 -6.572 1.00 0.00 C ATOM 0 H ILE A 58 5.327 5.397 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 58 4.564 3.179 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 58 6.015 3.593 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.834 2.398 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.783 2.330 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.400 1.148 -4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.687 1.577 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.242 0.890 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.380 4.161 -7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.719 4.790 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.787 4.859 -5.694 1.00 0.00 H new ATOM 912 N ARG A 59 3.128 3.671 -4.011 1.00 0.00 N ATOM 913 CA ARG A 59 2.000 3.381 -3.132 1.00 0.00 C ATOM 914 C ARG A 59 0.639 3.600 -3.814 1.00 0.00 C ATOM 915 O ARG A 59 -0.184 2.686 -3.844 1.00 0.00 O ATOM 916 CB ARG A 59 2.135 4.267 -1.898 1.00 0.00 C ATOM 917 CG ARG A 59 0.860 4.439 -1.103 1.00 0.00 C ATOM 918 CD ARG A 59 1.050 5.412 0.017 1.00 0.00 C ATOM 919 NE ARG A 59 1.280 6.749 -0.492 1.00 0.00 N ATOM 920 CZ ARG A 59 1.463 7.809 0.271 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.657 7.673 1.576 1.00 0.00 N ATOM 922 NH2 ARG A 59 1.479 9.004 -0.277 1.00 0.00 N ATOM 0 H ARG A 59 3.792 4.335 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 59 2.027 2.326 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.900 3.845 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.489 5.250 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.063 4.787 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.545 3.476 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.169 5.410 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.894 5.103 0.633 1.00 0.00 H new ATOM 0 HE ARG A 59 1.302 6.878 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.665 6.744 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.798 8.498 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.351 9.105 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.620 9.830 0.305 1.00 0.00 H new ATOM 936 N ARG A 60 0.407 4.798 -4.370 1.00 0.00 N ATOM 937 CA ARG A 60 -0.808 5.041 -5.172 1.00 0.00 C ATOM 938 C ARG A 60 -0.951 3.990 -6.275 1.00 0.00 C ATOM 939 O ARG A 60 -2.036 3.434 -6.483 1.00 0.00 O ATOM 940 CB ARG A 60 -0.799 6.450 -5.799 1.00 0.00 C ATOM 941 CG ARG A 60 0.598 6.946 -6.103 1.00 0.00 C ATOM 942 CD ARG A 60 0.647 8.170 -6.994 1.00 0.00 C ATOM 943 NE ARG A 60 -0.544 9.001 -6.891 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.525 10.288 -6.565 1.00 0.00 C ATOM 945 NH1 ARG A 60 0.617 10.895 -6.259 1.00 0.00 N ATOM 946 NH2 ARG A 60 -1.650 10.972 -6.543 1.00 0.00 N ATOM 0 H ARG A 60 1.029 5.602 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.660 4.969 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.384 6.437 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.288 7.148 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.102 7.175 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.160 6.142 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.522 8.766 -6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.773 7.853 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.448 8.568 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.492 10.372 -6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.618 11.884 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.531 10.513 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.641 11.961 -6.293 1.00 0.00 H new ATOM 960 N GLN A 61 0.153 3.697 -6.959 1.00 0.00 N ATOM 961 CA GLN A 61 0.118 2.812 -8.108 1.00 0.00 C ATOM 962 C GLN A 61 -0.222 1.374 -7.707 1.00 0.00 C ATOM 963 O GLN A 61 -1.061 0.742 -8.351 1.00 0.00 O ATOM 964 CB GLN A 61 1.454 2.857 -8.861 1.00 0.00 C ATOM 965 CG GLN A 61 1.397 2.193 -10.229 1.00 0.00 C ATOM 966 CD GLN A 61 0.147 2.580 -10.999 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.342 1.821 -11.837 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.379 3.764 -10.715 1.00 0.00 N ATOM 0 H GLN A 61 1.079 4.062 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.673 3.164 -8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.760 3.896 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.219 2.367 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.279 2.474 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.427 1.110 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.059 4.361 -10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.221 4.077 -11.198 1.00 0.00 H new ATOM 977 N ILE A 62 0.418 0.848 -6.653 1.00 0.00 N ATOM 978 CA ILE A 62 0.140 -0.528 -6.230 1.00 0.00 C ATOM 979 C ILE A 62 -1.316 -0.651 -5.840 1.00 0.00 C ATOM 980 O ILE A 62 -1.984 -1.602 -6.219 1.00 0.00 O ATOM 981 CB ILE A 62 0.981 -1.033 -5.033 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.188 -0.162 -4.766 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.441 -2.456 -5.294 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.758 -0.349 -3.380 1.00 0.00 C ATOM 0 H ILE A 62 1.113 1.340 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 62 0.406 -1.143 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 62 0.341 -0.993 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.960 -0.385 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.911 0.884 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.033 -2.808 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.572 -3.101 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.049 -2.482 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.622 0.303 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.000 -0.099 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.065 -1.387 -3.250 1.00 0.00 H new ATOM 996 N PHE A 63 -1.799 0.334 -5.092 1.00 0.00 N ATOM 997 CA PHE A 63 -3.178 0.348 -4.630 1.00 0.00 C ATOM 998 C PHE A 63 -4.161 0.135 -5.779 1.00 0.00 C ATOM 999 O PHE A 63 -5.040 -0.730 -5.706 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.481 1.658 -3.917 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.935 2.024 -3.948 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.859 1.263 -3.257 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.386 3.107 -4.693 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.197 1.569 -3.299 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.727 3.413 -4.738 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.630 2.641 -4.042 1.00 0.00 C ATOM 0 H PHE A 63 -1.249 1.139 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.300 -0.479 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.153 1.584 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.902 2.458 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.524 0.416 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.679 3.713 -5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.907 0.969 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.070 4.257 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.683 2.879 -4.080 1.00 0.00 H new ATOM 1016 N GLU A 64 -4.005 0.919 -6.835 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.892 0.819 -7.989 1.00 0.00 C ATOM 1018 C GLU A 64 -4.705 -0.543 -8.659 1.00 0.00 C ATOM 1019 O GLU A 64 -5.664 -1.186 -9.087 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.600 1.959 -8.980 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.804 2.400 -9.812 1.00 0.00 C ATOM 1022 CD GLU A 64 -6.260 1.365 -10.825 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -5.617 1.245 -11.892 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -7.272 0.683 -10.577 1.00 0.00 O ATOM 0 H GLU A 64 -3.277 1.629 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.928 0.910 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.224 2.818 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.805 1.642 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.633 2.629 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.554 3.322 -10.336 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.460 -0.993 -8.691 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.093 -2.237 -9.359 1.00 0.00 C ATOM 1033 C ASP A 65 -3.464 -3.468 -8.524 1.00 0.00 C ATOM 1034 O ASP A 65 -3.447 -4.591 -9.033 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.583 -2.229 -9.640 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.076 -3.503 -10.292 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.227 -3.648 -11.522 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.498 -4.356 -9.582 1.00 0.00 O ATOM 0 H ASP A 65 -2.675 -0.509 -8.256 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.651 -2.300 -10.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.347 -1.383 -10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.049 -2.074 -8.703 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.833 -3.259 -7.259 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.996 -4.362 -6.317 1.00 0.00 C ATOM 1045 C PHE A 66 -5.047 -5.368 -6.764 1.00 0.00 C ATOM 1046 O PHE A 66 -4.757 -6.556 -6.899 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.390 -3.819 -4.945 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.258 -3.359 -4.073 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.965 -3.827 -4.249 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.508 -2.479 -3.037 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.947 -3.412 -3.409 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.502 -2.065 -2.196 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.216 -2.529 -2.381 1.00 0.00 C ATOM 0 H PHE A 66 -4.024 -2.337 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.037 -4.878 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.075 -2.983 -5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.941 -4.595 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.751 -4.521 -5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.512 -2.110 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.058 -3.778 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.718 -1.377 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.423 -2.203 -1.725 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.245 -4.866 -7.027 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.388 -5.690 -7.418 1.00 0.00 C ATOM 1065 C LYS A 67 -7.752 -6.689 -6.314 1.00 0.00 C ATOM 1066 O LYS A 67 -7.035 -7.656 -6.077 1.00 0.00 O ATOM 1067 CB LYS A 67 -7.120 -6.438 -8.737 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.550 -5.573 -9.854 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.176 -4.191 -9.884 1.00 0.00 C ATOM 1070 CE LYS A 67 -6.907 -3.503 -11.214 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.232 -2.054 -11.178 1.00 0.00 N ATOM 0 H LYS A 67 -6.456 -3.869 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.231 -5.016 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.428 -7.257 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.053 -6.885 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.472 -5.479 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.714 -6.065 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.251 -4.271 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.775 -3.588 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.858 -3.631 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.495 -3.985 -11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.877 -1.597 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.263 -1.931 -11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.784 -1.618 -10.347 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.877 -6.454 -5.616 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.331 -7.333 -4.534 1.00 0.00 C ATOM 1087 C PRO A 68 -9.684 -8.740 -5.020 1.00 0.00 C ATOM 1088 O PRO A 68 -9.274 -9.150 -6.107 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.580 -6.649 -3.971 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.716 -5.336 -4.673 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.780 -5.322 -5.841 1.00 0.00 C ATOM 0 HA PRO A 68 -8.541 -7.469 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.464 -7.266 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.487 -6.503 -2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.743 -5.191 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.484 -4.517 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.321 -5.429 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.230 -4.383 -5.895 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.469 -9.451 -4.209 1.00 0.00 N ATOM 1100 CA GLU A 69 -10.814 -10.845 -4.460 1.00 0.00 C ATOM 1101 C GLU A 69 -9.615 -11.737 -4.135 1.00 0.00 C ATOM 1102 O GLU A 69 -9.569 -12.271 -3.006 1.00 0.00 O ATOM 1103 CB GLU A 69 -11.292 -11.054 -5.909 1.00 0.00 C ATOM 1104 CG GLU A 69 -11.893 -12.421 -6.173 1.00 0.00 C ATOM 1105 CD GLU A 69 -13.193 -12.628 -5.430 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -14.230 -12.101 -5.882 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -13.184 -13.322 -4.392 1.00 0.00 O ATOM 1108 OXT GLU A 69 -8.714 -11.873 -4.984 1.00 0.00 O ATOM 0 H GLU A 69 -10.883 -9.072 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.644 -11.122 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.033 -10.291 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.449 -10.903 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.065 -12.539 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.181 -13.192 -5.878 1.00 0.00 H new TER 1115 GLU A 69