USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 23 THR OG1 : rot -80:sc= 1.22 USER MOD Set 1.2: A 104 HIS : no HE2:sc= 2.66 K(o=3.9,f=-11!) USER MOD Set 2.1: A 101 GLN : amide:sc= 0.409 K(o=3.1,f=1.3) USER MOD Set 2.2: A 103 ASN : amide:sc= 2.21 K(o=3.1,f=1.3) USER MOD Set 2.3: A 105 HIS : no HE2:sc= 0.448 K(o=3.1,f=-4.6!) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 100 GLN : amide:sc= 1.57 K(o=1.6,f=-5.7!) USER MOD Set 4.1: A 92 TYR OH : rot 161:sc= 0.925 USER MOD Set 4.2: A 107 HIS : no HE2:sc= 0.893 K(o=3.8,f=-2.2!) USER MOD Set 4.3: A 111 SER OG : rot 33:sc= 1.06 USER MOD Set 4.4: A 112 SER OG : rot 107:sc= 0.971 USER MOD Set 5.1: A 46 LYS NZ :NH3+ 179:sc= 3.01 (180deg=1.8) USER MOD Set 5.2: A 68 ASN : amide:sc= 1.74 K(o=4.7,f=-12!) USER MOD Set 6.1: A 27 THR OG1 : rot -124:sc= 1.47 USER MOD Set 6.2: A 31 THR OG1 : rot -180:sc= 2.01 USER MOD Set 7.1: A 19 LYS NZ :NH3+ -157:sc= 2.3 (180deg=0.687) USER MOD Set 7.2: A 37 GLN : amide:sc= 1.05 K(o=3.4,f=-7.9!) USER MOD Set 8.1: A 2 SER OG : rot 74:sc= 2.08 USER MOD Set 8.2: A 7 LYS NZ :NH3+ 174:sc= 3.52 (180deg=2.4) USER MOD Single : A 1 ILE N :NH3+ -161:sc= 2.1 (180deg=1.28) USER MOD Single : A 5 GLN : amide:sc= 1.07 K(o=1.1,f=-8.1!) USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.39 USER MOD Single : A 10 THR OG1 : rot -177:sc= 1.01 USER MOD Single : A 11 TYR OH : rot -145:sc= 1.29 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 1.46 (180deg=0.927) USER MOD Single : A 29 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 148:sc= 1.13 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00826 USER MOD Single : A 50 SER OG : rot -135:sc= 0.771 USER MOD Single : A 51 SER OG : rot -169:sc= 1.09 USER MOD Single : A 54 SER OG : rot -7:sc= 0.939 USER MOD Single : A 56 ASN : amide:sc= -1.83! C(o=-1.8!,f=-4.8!) USER MOD Single : A 59 THR OG1 : rot -1:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.904 USER MOD Single : A 72 SER OG : rot -71:sc= 0.542 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 77 ASN : amide:sc= 0.531 K(o=0.53,f=-3.2!) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 1.13 (180deg=-0.0576!) USER MOD Single : A 91 SER OG : rot 15:sc= 0.165 USER MOD Single : A 108 LYS NZ :NH3+ 160:sc= 0.31! (180deg=-0.315!) USER MOD Single : A 109 SER OG : rot 12:sc= 0.954 USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.571 9.973 13.014 1.00 0.00 N ATOM 2 CA ILE A 1 -0.863 9.609 12.954 1.00 0.00 C ATOM 3 C ILE A 1 -0.961 8.109 12.672 1.00 0.00 C ATOM 4 O ILE A 1 -0.148 7.581 11.918 1.00 0.00 O ATOM 5 CB ILE A 1 -1.627 10.439 11.892 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.454 11.964 12.105 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.129 10.085 11.909 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.809 12.795 10.866 1.00 0.00 C ATOM 0 H1 ILE A 1 0.678 10.881 13.509 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.095 9.235 13.526 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.948 10.059 12.049 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.336 9.838 13.909 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.199 10.184 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.082 12.281 12.938 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.422 12.169 12.388 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.651 10.677 11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.256 9.025 11.688 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.543 10.303 12.894 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.666 13.853 11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.164 12.505 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.850 12.618 10.595 1.00 0.00 H new ATOM 22 N SER A 2 -1.923 7.413 13.287 1.00 0.00 N ATOM 23 CA SER A 2 -2.155 5.984 13.054 1.00 0.00 C ATOM 24 C SER A 2 -3.646 5.638 13.101 1.00 0.00 C ATOM 25 O SER A 2 -4.448 6.391 13.653 1.00 0.00 O ATOM 26 CB SER A 2 -1.386 5.156 14.096 1.00 0.00 C ATOM 27 OG SER A 2 -0.747 4.066 13.462 1.00 0.00 O ATOM 0 H SER A 2 -2.565 7.827 13.963 1.00 0.00 H new ATOM 0 HA SER A 2 -1.792 5.742 12.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.647 5.781 14.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.070 4.793 14.863 1.00 0.00 H new ATOM 0 HG SER A 2 0.030 4.389 12.960 1.00 0.00 H new ATOM 33 N GLU A 3 -3.997 4.475 12.554 1.00 0.00 N ATOM 34 CA GLU A 3 -5.318 3.839 12.596 1.00 0.00 C ATOM 35 C GLU A 3 -5.208 2.381 13.089 1.00 0.00 C ATOM 36 O GLU A 3 -4.131 1.935 13.489 1.00 0.00 O ATOM 37 CB GLU A 3 -5.993 3.940 11.211 1.00 0.00 C ATOM 38 CG GLU A 3 -5.371 3.052 10.116 1.00 0.00 C ATOM 39 CD GLU A 3 -3.964 3.526 9.751 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.877 4.486 8.954 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.986 3.008 10.343 1.00 0.00 O ATOM 0 H GLU A 3 -3.323 3.913 12.035 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.949 4.365 13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.045 3.677 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.956 4.978 10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.331 2.019 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.004 3.067 9.229 1.00 0.00 H new ATOM 48 N PHE A 4 -6.307 1.618 13.041 1.00 0.00 N ATOM 49 CA PHE A 4 -6.318 0.206 13.436 1.00 0.00 C ATOM 50 C PHE A 4 -6.416 -0.702 12.202 1.00 0.00 C ATOM 51 O PHE A 4 -5.538 -1.523 11.938 1.00 0.00 O ATOM 52 CB PHE A 4 -7.463 -0.027 14.439 1.00 0.00 C ATOM 53 CG PHE A 4 -7.524 0.985 15.574 1.00 0.00 C ATOM 54 CD1 PHE A 4 -6.430 1.142 16.449 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.663 1.799 15.737 1.00 0.00 C ATOM 56 CE1 PHE A 4 -6.474 2.105 17.473 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.709 2.759 16.764 1.00 0.00 C ATOM 58 CZ PHE A 4 -7.613 2.913 17.632 1.00 0.00 C ATOM 0 H PHE A 4 -7.214 1.964 12.727 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.381 -0.052 13.930 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.410 -0.007 13.900 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.359 -1.025 14.864 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.555 0.520 16.333 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.505 1.685 15.070 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.631 2.224 18.138 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.586 3.378 16.886 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.647 3.651 18.420 1.00 0.00 H new ATOM 68 N GLN A 5 -7.475 -0.506 11.414 1.00 0.00 N ATOM 69 CA GLN A 5 -7.902 -1.318 10.277 1.00 0.00 C ATOM 70 C GLN A 5 -6.821 -1.557 9.211 1.00 0.00 C ATOM 71 O GLN A 5 -6.760 -2.654 8.659 1.00 0.00 O ATOM 72 CB GLN A 5 -9.191 -0.718 9.672 1.00 0.00 C ATOM 73 CG GLN A 5 -9.144 0.773 9.272 1.00 0.00 C ATOM 74 CD GLN A 5 -9.530 1.734 10.404 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.870 1.833 11.431 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.607 2.480 10.260 1.00 0.00 N ATOM 0 H GLN A 5 -8.102 0.284 11.567 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.106 -2.316 10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.454 -1.299 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.998 -0.851 10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.138 1.016 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.815 0.934 8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.167 2.409 9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.881 3.129 10.998 1.00 0.00 H new ATOM 85 N LEU A 6 -5.925 -0.591 8.954 1.00 0.00 N ATOM 86 CA LEU A 6 -4.839 -0.747 7.976 1.00 0.00 C ATOM 87 C LEU A 6 -3.850 -1.865 8.352 1.00 0.00 C ATOM 88 O LEU A 6 -3.198 -2.417 7.470 1.00 0.00 O ATOM 89 CB LEU A 6 -4.144 0.613 7.768 1.00 0.00 C ATOM 90 CG LEU A 6 -3.091 0.625 6.634 1.00 0.00 C ATOM 91 CD1 LEU A 6 -3.160 1.931 5.838 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.663 0.486 7.175 1.00 0.00 C ATOM 0 H LEU A 6 -5.934 0.318 9.417 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.272 -1.068 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.902 1.366 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.660 0.907 8.700 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.323 -0.227 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.410 1.915 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.151 2.036 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.968 2.773 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.957 0.499 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.447 1.315 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.569 -0.455 7.716 1.00 0.00 H new ATOM 104 N LYS A 7 -3.767 -2.255 9.635 1.00 0.00 N ATOM 105 CA LYS A 7 -2.943 -3.382 10.093 1.00 0.00 C ATOM 106 C LYS A 7 -3.645 -4.745 9.913 1.00 0.00 C ATOM 107 O LYS A 7 -3.023 -5.768 10.202 1.00 0.00 O ATOM 108 CB LYS A 7 -2.501 -3.160 11.554 1.00 0.00 C ATOM 109 CG LYS A 7 -1.484 -2.019 11.768 1.00 0.00 C ATOM 110 CD LYS A 7 -2.068 -0.600 11.668 1.00 0.00 C ATOM 111 CE LYS A 7 -1.076 0.437 12.202 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.718 1.764 12.295 1.00 0.00 N ATOM 0 H LYS A 7 -4.275 -1.792 10.388 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.055 -3.416 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.386 -2.954 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.067 -4.087 11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.027 -2.139 12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.687 -2.120 11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.312 -0.375 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.998 -0.544 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.714 0.132 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.208 0.491 11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.067 2.433 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.950 2.105 11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.589 1.689 12.858 1.00 0.00 H new ATOM 126 N GLY A 8 -4.899 -4.751 9.428 1.00 0.00 N ATOM 127 CA GLY A 8 -5.821 -5.864 9.163 1.00 0.00 C ATOM 128 C GLY A 8 -5.195 -7.254 9.015 1.00 0.00 C ATOM 129 O GLY A 8 -4.466 -7.509 8.054 1.00 0.00 O ATOM 0 H GLY A 8 -5.342 -3.865 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.549 -5.903 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.372 -5.640 8.250 1.00 0.00 H new ATOM 133 N THR A 9 -5.502 -8.147 9.964 1.00 0.00 N ATOM 134 CA THR A 9 -4.969 -9.510 10.129 1.00 0.00 C ATOM 135 C THR A 9 -5.393 -10.484 9.016 1.00 0.00 C ATOM 136 O THR A 9 -6.204 -11.382 9.240 1.00 0.00 O ATOM 137 CB THR A 9 -5.351 -10.066 11.515 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.754 -10.117 11.623 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.807 -9.219 12.669 1.00 0.00 C ATOM 0 H THR A 9 -6.180 -7.921 10.692 1.00 0.00 H new ATOM 0 HA THR A 9 -3.885 -9.426 10.051 1.00 0.00 H new ATOM 0 HB THR A 9 -4.906 -11.058 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.123 -10.616 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.109 -9.661 13.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.719 -9.185 12.614 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.205 -8.207 12.597 1.00 0.00 H new ATOM 147 N THR A 10 -4.824 -10.319 7.818 1.00 0.00 N ATOM 148 CA THR A 10 -4.981 -11.210 6.653 1.00 0.00 C ATOM 149 C THR A 10 -4.212 -12.534 6.766 1.00 0.00 C ATOM 150 O THR A 10 -4.551 -13.490 6.076 1.00 0.00 O ATOM 151 CB THR A 10 -4.492 -10.495 5.383 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.210 -9.947 5.607 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.422 -9.352 4.970 1.00 0.00 C ATOM 0 H THR A 10 -4.213 -9.527 7.620 1.00 0.00 H new ATOM 0 HA THR A 10 -6.044 -11.448 6.610 1.00 0.00 H new ATOM 0 HB THR A 10 -4.472 -11.240 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.923 -9.451 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.036 -8.877 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.419 -9.747 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.474 -8.617 5.773 1.00 0.00 H new ATOM 161 N TYR A 11 -3.200 -12.598 7.636 1.00 0.00 N ATOM 162 CA TYR A 11 -2.381 -13.772 7.951 1.00 0.00 C ATOM 163 C TYR A 11 -1.984 -13.740 9.442 1.00 0.00 C ATOM 164 O TYR A 11 -2.160 -12.721 10.116 1.00 0.00 O ATOM 165 CB TYR A 11 -1.113 -13.770 7.077 1.00 0.00 C ATOM 166 CG TYR A 11 -1.247 -14.182 5.620 1.00 0.00 C ATOM 167 CD1 TYR A 11 -1.219 -15.547 5.270 1.00 0.00 C ATOM 168 CD2 TYR A 11 -1.274 -13.206 4.604 1.00 0.00 C ATOM 169 CE1 TYR A 11 -1.184 -15.933 3.916 1.00 0.00 C ATOM 170 CE2 TYR A 11 -1.221 -13.589 3.247 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.153 -14.956 2.901 1.00 0.00 C ATOM 172 OH TYR A 11 -1.042 -15.344 1.599 1.00 0.00 O ATOM 0 H TYR A 11 -2.913 -11.780 8.173 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.955 -14.677 7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.693 -12.765 7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.384 -14.432 7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.224 -16.300 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.336 -12.160 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.181 -16.981 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.232 -12.836 2.473 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.507 -14.687 1.106 1.00 0.00 H new ATOM 182 N GLY A 12 -1.398 -14.837 9.945 1.00 0.00 N ATOM 183 CA GLY A 12 -0.839 -14.924 11.298 1.00 0.00 C ATOM 184 C GLY A 12 0.456 -14.115 11.454 1.00 0.00 C ATOM 185 O GLY A 12 1.275 -14.066 10.532 1.00 0.00 O ATOM 0 H GLY A 12 -1.299 -15.701 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.576 -14.565 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.642 -15.969 11.539 1.00 0.00 H new ATOM 189 N VAL A 13 0.643 -13.486 12.623 1.00 0.00 N ATOM 190 CA VAL A 13 1.776 -12.594 12.922 1.00 0.00 C ATOM 191 C VAL A 13 3.119 -13.343 12.981 1.00 0.00 C ATOM 192 O VAL A 13 3.430 -14.056 13.941 1.00 0.00 O ATOM 193 CB VAL A 13 1.494 -11.685 14.136 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.169 -12.420 15.444 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.652 -10.705 14.359 1.00 0.00 C ATOM 0 H VAL A 13 -0.003 -13.585 13.406 1.00 0.00 H new ATOM 0 HA VAL A 13 1.884 -11.912 12.079 1.00 0.00 H new ATOM 0 HB VAL A 13 0.583 -11.147 13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.987 -11.692 16.235 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.280 -13.035 15.305 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.009 -13.056 15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.433 -10.073 15.220 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.570 -11.263 14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.777 -10.082 13.474 1.00 0.00 H new ATOM 205 N CYS A 14 3.898 -13.183 11.906 1.00 0.00 N ATOM 206 CA CYS A 14 5.141 -13.885 11.593 1.00 0.00 C ATOM 207 C CYS A 14 5.940 -13.060 10.566 1.00 0.00 C ATOM 208 O CYS A 14 5.352 -12.385 9.721 1.00 0.00 O ATOM 209 CB CYS A 14 4.781 -15.295 11.075 1.00 0.00 C ATOM 210 SG CYS A 14 5.725 -15.961 9.671 1.00 0.00 S ATOM 0 H CYS A 14 3.656 -12.509 11.180 1.00 0.00 H new ATOM 0 HA CYS A 14 5.773 -14.000 12.474 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.885 -15.992 11.907 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.728 -15.288 10.795 1.00 0.00 H new ATOM 215 N SER A 15 7.275 -13.122 10.617 1.00 0.00 N ATOM 216 CA SER A 15 8.131 -12.435 9.635 1.00 0.00 C ATOM 217 C SER A 15 9.369 -13.219 9.198 1.00 0.00 C ATOM 218 O SER A 15 9.862 -12.963 8.105 1.00 0.00 O ATOM 219 CB SER A 15 8.508 -11.042 10.150 1.00 0.00 C ATOM 220 OG SER A 15 8.992 -11.059 11.480 1.00 0.00 O ATOM 0 H SER A 15 7.790 -13.641 11.328 1.00 0.00 H new ATOM 0 HA SER A 15 7.532 -12.346 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.268 -10.612 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.635 -10.391 10.095 1.00 0.00 H new ATOM 0 HG SER A 15 9.219 -10.147 11.757 1.00 0.00 H new ATOM 226 N LYS A 16 9.826 -14.189 10.004 1.00 0.00 N ATOM 227 CA LYS A 16 10.909 -15.158 9.794 1.00 0.00 C ATOM 228 C LYS A 16 12.205 -14.578 9.217 1.00 0.00 C ATOM 229 O LYS A 16 13.185 -14.438 9.943 1.00 0.00 O ATOM 230 CB LYS A 16 10.376 -16.359 8.987 1.00 0.00 C ATOM 231 CG LYS A 16 11.401 -17.504 8.945 1.00 0.00 C ATOM 232 CD LYS A 16 11.031 -18.565 7.904 1.00 0.00 C ATOM 233 CE LYS A 16 12.111 -19.650 7.908 1.00 0.00 C ATOM 234 NZ LYS A 16 11.898 -20.612 6.809 1.00 0.00 N ATOM 0 H LYS A 16 9.397 -14.327 10.919 1.00 0.00 H new ATOM 0 HA LYS A 16 11.219 -15.497 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.447 -16.716 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.141 -16.041 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.387 -17.100 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.467 -17.968 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.058 -18.999 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.952 -18.113 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.094 -19.190 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.100 -20.175 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.558 -21.409 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.920 -20.965 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.066 -20.140 5.897 1.00 0.00 H new ATOM 248 N ALA A 17 12.230 -14.319 7.911 1.00 0.00 N ATOM 249 CA ALA A 17 13.424 -14.098 7.117 1.00 0.00 C ATOM 250 C ALA A 17 13.398 -12.703 6.482 1.00 0.00 C ATOM 251 O ALA A 17 13.095 -12.542 5.303 1.00 0.00 O ATOM 252 CB ALA A 17 13.543 -15.245 6.107 1.00 0.00 C ATOM 0 H ALA A 17 11.376 -14.256 7.358 1.00 0.00 H new ATOM 0 HA ALA A 17 14.321 -14.109 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.435 -15.101 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.617 -16.193 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.662 -15.257 5.465 1.00 0.00 H new ATOM 258 N PHE A 18 13.760 -11.690 7.272 1.00 0.00 N ATOM 259 CA PHE A 18 14.003 -10.327 6.806 1.00 0.00 C ATOM 260 C PHE A 18 15.401 -9.858 7.213 1.00 0.00 C ATOM 261 O PHE A 18 15.957 -10.303 8.218 1.00 0.00 O ATOM 262 CB PHE A 18 12.947 -9.367 7.380 1.00 0.00 C ATOM 263 CG PHE A 18 11.703 -9.179 6.535 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.746 -8.350 5.399 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.485 -9.763 6.922 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.570 -8.064 4.683 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.307 -9.483 6.208 1.00 0.00 C ATOM 268 CZ PHE A 18 9.346 -8.619 5.097 1.00 0.00 C ATOM 0 H PHE A 18 13.895 -11.799 8.277 1.00 0.00 H new ATOM 0 HA PHE A 18 13.934 -10.324 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.646 -9.732 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.412 -8.393 7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.687 -7.931 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.454 -10.430 7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.607 -7.420 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.372 -9.931 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.437 -8.383 4.563 1.00 0.00 H new ATOM 278 N LYS A 19 15.923 -8.889 6.459 1.00 0.00 N ATOM 279 CA LYS A 19 17.094 -8.079 6.795 1.00 0.00 C ATOM 280 C LYS A 19 16.863 -6.650 6.278 1.00 0.00 C ATOM 281 O LYS A 19 16.256 -6.472 5.224 1.00 0.00 O ATOM 282 CB LYS A 19 18.333 -8.774 6.188 1.00 0.00 C ATOM 283 CG LYS A 19 19.522 -7.830 6.006 1.00 0.00 C ATOM 284 CD LYS A 19 20.772 -8.500 5.424 1.00 0.00 C ATOM 285 CE LYS A 19 21.855 -7.460 5.083 1.00 0.00 C ATOM 286 NZ LYS A 19 21.364 -6.422 4.142 1.00 0.00 N ATOM 0 H LYS A 19 15.522 -8.636 5.556 1.00 0.00 H new ATOM 0 HA LYS A 19 17.261 -7.996 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.629 -9.602 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.065 -9.202 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.224 -7.011 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.775 -7.391 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.168 -9.220 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.504 -9.057 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.198 -6.982 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.716 -7.966 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.171 -5.995 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.722 -6.857 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.855 -5.686 4.672 1.00 0.00 H new ATOM 300 N PHE A 20 17.377 -5.630 6.976 1.00 0.00 N ATOM 301 CA PHE A 20 17.429 -4.263 6.447 1.00 0.00 C ATOM 302 C PHE A 20 18.441 -4.149 5.293 1.00 0.00 C ATOM 303 O PHE A 20 19.549 -4.691 5.356 1.00 0.00 O ATOM 304 CB PHE A 20 17.810 -3.262 7.548 1.00 0.00 C ATOM 305 CG PHE A 20 16.785 -3.057 8.649 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.536 -2.471 8.354 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.110 -3.362 9.985 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.617 -2.210 9.389 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.197 -3.083 11.018 1.00 0.00 C ATOM 310 CZ PHE A 20 14.946 -2.517 10.720 1.00 0.00 C ATOM 0 H PHE A 20 17.765 -5.728 7.914 1.00 0.00 H new ATOM 0 HA PHE A 20 16.433 -4.027 6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.743 -3.593 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.009 -2.298 7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.284 -2.222 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.064 -3.812 10.217 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.657 -1.773 9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.458 -3.304 12.042 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.239 -2.318 11.512 1.00 0.00 H new ATOM 320 N LEU A 21 18.079 -3.385 4.262 1.00 0.00 N ATOM 321 CA LEU A 21 18.980 -2.961 3.190 1.00 0.00 C ATOM 322 C LEU A 21 19.320 -1.470 3.354 1.00 0.00 C ATOM 323 O LEU A 21 20.486 -1.096 3.256 1.00 0.00 O ATOM 324 CB LEU A 21 18.313 -3.267 1.834 1.00 0.00 C ATOM 325 CG LEU A 21 19.249 -3.521 0.635 1.00 0.00 C ATOM 326 CD1 LEU A 21 20.329 -2.462 0.410 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.920 -4.893 0.719 1.00 0.00 C ATOM 0 H LEU A 21 17.128 -3.035 4.146 1.00 0.00 H new ATOM 0 HA LEU A 21 19.921 -3.508 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.677 -4.144 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.659 -2.432 1.582 1.00 0.00 H new ATOM 0 HG LEU A 21 18.577 -3.471 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.932 -2.735 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.859 -1.494 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.967 -2.400 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.571 -5.033 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.511 -4.954 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.157 -5.671 0.728 1.00 0.00 H new ATOM 339 N GLY A 22 18.316 -0.634 3.650 1.00 0.00 N ATOM 340 CA GLY A 22 18.431 0.822 3.668 1.00 0.00 C ATOM 341 C GLY A 22 17.637 1.455 4.809 1.00 0.00 C ATOM 342 O GLY A 22 16.411 1.357 4.842 1.00 0.00 O ATOM 0 H GLY A 22 17.381 -0.964 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.481 1.100 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.079 1.223 2.718 1.00 0.00 H new ATOM 346 N THR A 23 18.361 2.116 5.720 1.00 0.00 N ATOM 347 CA THR A 23 17.875 2.957 6.824 1.00 0.00 C ATOM 348 C THR A 23 16.765 3.927 6.380 1.00 0.00 C ATOM 349 O THR A 23 16.820 4.409 5.249 1.00 0.00 O ATOM 350 CB THR A 23 19.093 3.737 7.360 1.00 0.00 C ATOM 351 OG1 THR A 23 20.021 2.807 7.870 1.00 0.00 O ATOM 352 CG2 THR A 23 18.843 4.770 8.460 1.00 0.00 C ATOM 0 H THR A 23 19.380 2.075 5.705 1.00 0.00 H new ATOM 0 HA THR A 23 17.430 2.328 7.595 1.00 0.00 H new ATOM 0 HB THR A 23 19.438 4.311 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.748 2.532 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.786 5.240 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.153 5.531 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.412 4.277 9.331 1.00 0.00 H new ATOM 360 N PRO A 24 15.780 4.254 7.251 1.00 0.00 N ATOM 361 CA PRO A 24 14.714 5.199 6.931 1.00 0.00 C ATOM 362 C PRO A 24 15.227 6.527 6.350 1.00 0.00 C ATOM 363 O PRO A 24 16.181 7.119 6.861 1.00 0.00 O ATOM 364 CB PRO A 24 13.933 5.415 8.233 1.00 0.00 C ATOM 365 CG PRO A 24 14.166 4.119 9.003 1.00 0.00 C ATOM 366 CD PRO A 24 15.584 3.731 8.598 1.00 0.00 C ATOM 0 HA PRO A 24 14.081 4.791 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.301 6.281 8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.873 5.585 8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.080 4.268 10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.443 3.351 8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.315 4.151 9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.712 2.649 8.618 1.00 0.00 H new ATOM 374 N ALA A 25 14.564 6.998 5.294 1.00 0.00 N ATOM 375 CA ALA A 25 14.877 8.215 4.560 1.00 0.00 C ATOM 376 C ALA A 25 13.626 9.097 4.447 1.00 0.00 C ATOM 377 O ALA A 25 12.654 8.730 3.786 1.00 0.00 O ATOM 378 CB ALA A 25 15.453 7.830 3.191 1.00 0.00 C ATOM 0 H ALA A 25 13.753 6.513 4.911 1.00 0.00 H new ATOM 0 HA ALA A 25 15.627 8.802 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.692 8.733 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.358 7.239 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.718 7.244 2.639 1.00 0.00 H new ATOM 384 N ASP A 26 13.647 10.243 5.135 1.00 0.00 N ATOM 385 CA ASP A 26 12.590 11.256 5.125 1.00 0.00 C ATOM 386 C ASP A 26 12.343 11.795 3.709 1.00 0.00 C ATOM 387 O ASP A 26 13.254 12.318 3.064 1.00 0.00 O ATOM 388 CB ASP A 26 12.982 12.373 6.101 1.00 0.00 C ATOM 389 CG ASP A 26 11.863 13.370 6.414 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.901 13.527 5.628 1.00 0.00 O ATOM 391 OD2 ASP A 26 11.910 13.963 7.514 1.00 0.00 O ATOM 0 H ASP A 26 14.430 10.499 5.736 1.00 0.00 H new ATOM 0 HA ASP A 26 11.649 10.810 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.318 11.920 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.830 12.918 5.687 1.00 0.00 H new ATOM 396 N THR A 27 11.107 11.668 3.225 1.00 0.00 N ATOM 397 CA THR A 27 10.703 12.150 1.899 1.00 0.00 C ATOM 398 C THR A 27 10.529 13.666 1.831 1.00 0.00 C ATOM 399 O THR A 27 10.305 14.187 0.737 1.00 0.00 O ATOM 400 CB THR A 27 9.382 11.501 1.457 1.00 0.00 C ATOM 401 OG1 THR A 27 8.346 11.800 2.372 1.00 0.00 O ATOM 402 CG2 THR A 27 9.531 9.989 1.321 1.00 0.00 C ATOM 0 H THR A 27 10.350 11.224 3.745 1.00 0.00 H new ATOM 0 HA THR A 27 11.518 11.868 1.232 1.00 0.00 H new ATOM 0 HB THR A 27 9.123 11.913 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.947 10.966 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.581 9.557 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.295 9.764 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.823 9.564 2.281 1.00 0.00 H new ATOM 410 N GLY A 28 10.520 14.382 2.965 1.00 0.00 N ATOM 411 CA GLY A 28 10.134 15.795 3.060 1.00 0.00 C ATOM 412 C GLY A 28 8.634 16.047 2.832 1.00 0.00 C ATOM 413 O GLY A 28 8.078 16.988 3.390 1.00 0.00 O ATOM 0 H GLY A 28 10.788 13.982 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.410 16.172 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.704 16.367 2.328 1.00 0.00 H new ATOM 417 N HIS A 29 7.964 15.173 2.073 1.00 0.00 N ATOM 418 CA HIS A 29 6.526 15.146 1.803 1.00 0.00 C ATOM 419 C HIS A 29 5.692 14.735 3.030 1.00 0.00 C ATOM 420 O HIS A 29 4.468 14.844 2.996 1.00 0.00 O ATOM 421 CB HIS A 29 6.260 14.162 0.646 1.00 0.00 C ATOM 422 CG HIS A 29 6.859 14.549 -0.687 1.00 0.00 C ATOM 423 ND1 HIS A 29 8.199 14.583 -1.023 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.149 14.864 -1.815 1.00 0.00 C ATOM 425 CE1 HIS A 29 8.284 14.919 -2.321 1.00 0.00 C ATOM 426 NE2 HIS A 29 7.063 15.102 -2.844 1.00 0.00 N ATOM 0 H HIS A 29 8.449 14.412 1.598 1.00 0.00 H new ATOM 0 HA HIS A 29 6.220 16.158 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.647 13.183 0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.182 14.055 0.523 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.982 14.388 -0.399 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.073 14.919 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.209 15.027 -2.868 1.00 0.00 H new ATOM 434 N GLY A 30 6.338 14.266 4.106 1.00 0.00 N ATOM 435 CA GLY A 30 5.691 13.832 5.347 1.00 0.00 C ATOM 436 C GLY A 30 5.770 12.327 5.614 1.00 0.00 C ATOM 437 O GLY A 30 5.054 11.845 6.485 1.00 0.00 O ATOM 0 H GLY A 30 7.354 14.176 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.148 14.361 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.642 14.128 5.317 1.00 0.00 H new ATOM 441 N THR A 31 6.627 11.584 4.901 1.00 0.00 N ATOM 442 CA THR A 31 6.823 10.133 5.052 1.00 0.00 C ATOM 443 C THR A 31 8.308 9.779 5.230 1.00 0.00 C ATOM 444 O THR A 31 9.188 10.629 5.079 1.00 0.00 O ATOM 445 CB THR A 31 6.204 9.361 3.872 1.00 0.00 C ATOM 446 OG1 THR A 31 6.730 9.812 2.644 1.00 0.00 O ATOM 447 CG2 THR A 31 4.683 9.504 3.820 1.00 0.00 C ATOM 0 H THR A 31 7.223 11.988 4.179 1.00 0.00 H new ATOM 0 HA THR A 31 6.303 9.827 5.960 1.00 0.00 H new ATOM 0 HB THR A 31 6.456 8.313 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.323 9.308 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.294 8.942 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.249 9.116 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.420 10.556 3.710 1.00 0.00 H new ATOM 455 N VAL A 32 8.600 8.517 5.558 1.00 0.00 N ATOM 456 CA VAL A 32 9.945 7.928 5.604 1.00 0.00 C ATOM 457 C VAL A 32 9.951 6.632 4.794 1.00 0.00 C ATOM 458 O VAL A 32 9.193 5.711 5.095 1.00 0.00 O ATOM 459 CB VAL A 32 10.458 7.677 7.043 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.044 8.948 7.666 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.415 7.104 8.011 1.00 0.00 C ATOM 0 H VAL A 32 7.874 7.847 5.810 1.00 0.00 H new ATOM 0 HA VAL A 32 10.634 8.651 5.167 1.00 0.00 H new ATOM 0 HB VAL A 32 11.229 6.918 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.393 8.731 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.880 9.298 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.276 9.721 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.868 6.963 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.577 7.796 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.058 6.145 7.635 1.00 0.00 H new ATOM 471 N VAL A 33 10.791 6.559 3.756 1.00 0.00 N ATOM 472 CA VAL A 33 10.986 5.330 2.969 1.00 0.00 C ATOM 473 C VAL A 33 12.093 4.488 3.606 1.00 0.00 C ATOM 474 O VAL A 33 13.144 5.017 3.960 1.00 0.00 O ATOM 475 CB VAL A 33 11.307 5.587 1.478 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.569 4.541 0.629 1.00 0.00 C ATOM 477 CG2 VAL A 33 10.919 6.971 0.949 1.00 0.00 C ATOM 0 H VAL A 33 11.355 7.346 3.436 1.00 0.00 H new ATOM 0 HA VAL A 33 10.037 4.795 2.985 1.00 0.00 H new ATOM 0 HB VAL A 33 12.392 5.522 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.786 4.710 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.901 3.542 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.496 4.628 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.187 7.046 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.844 7.115 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.449 7.738 1.514 1.00 0.00 H new ATOM 487 N LEU A 34 11.859 3.185 3.758 1.00 0.00 N ATOM 488 CA LEU A 34 12.702 2.230 4.482 1.00 0.00 C ATOM 489 C LEU A 34 12.845 0.960 3.633 1.00 0.00 C ATOM 490 O LEU A 34 11.844 0.446 3.134 1.00 0.00 O ATOM 491 CB LEU A 34 12.016 2.022 5.850 1.00 0.00 C ATOM 492 CG LEU A 34 12.518 0.926 6.810 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.928 -0.450 6.500 1.00 0.00 C ATOM 494 CD2 LEU A 34 14.038 0.820 6.908 1.00 0.00 C ATOM 0 H LEU A 34 11.032 2.742 3.358 1.00 0.00 H new ATOM 0 HA LEU A 34 13.722 2.572 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.069 2.970 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.962 1.824 5.656 1.00 0.00 H new ATOM 0 HG LEU A 34 12.155 1.256 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.318 -1.181 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.842 -0.407 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.203 -0.744 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.303 0.025 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.451 0.594 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.446 1.766 7.265 1.00 0.00 H new ATOM 506 N GLU A 35 14.075 0.469 3.426 1.00 0.00 N ATOM 507 CA GLU A 35 14.344 -0.666 2.536 1.00 0.00 C ATOM 508 C GLU A 35 14.751 -1.925 3.304 1.00 0.00 C ATOM 509 O GLU A 35 15.695 -1.914 4.102 1.00 0.00 O ATOM 510 CB GLU A 35 15.398 -0.307 1.475 1.00 0.00 C ATOM 511 CG GLU A 35 15.352 -1.305 0.311 1.00 0.00 C ATOM 512 CD GLU A 35 16.290 -0.929 -0.834 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.522 -1.042 -0.671 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.799 -0.628 -1.946 1.00 0.00 O ATOM 0 H GLU A 35 14.910 0.848 3.871 1.00 0.00 H new ATOM 0 HA GLU A 35 13.408 -0.890 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.219 0.702 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.391 -0.310 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.616 -2.297 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.332 -1.367 -0.068 1.00 0.00 H new ATOM 521 N LEU A 36 14.067 -3.030 3.001 1.00 0.00 N ATOM 522 CA LEU A 36 14.370 -4.367 3.504 1.00 0.00 C ATOM 523 C LEU A 36 14.640 -5.331 2.340 1.00 0.00 C ATOM 524 O LEU A 36 14.316 -5.054 1.184 1.00 0.00 O ATOM 525 CB LEU A 36 13.187 -4.874 4.353 1.00 0.00 C ATOM 526 CG LEU A 36 12.937 -4.106 5.669 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.445 -3.800 5.825 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.382 -4.919 6.891 1.00 0.00 C ATOM 0 H LEU A 36 13.260 -3.016 2.377 1.00 0.00 H new ATOM 0 HA LEU A 36 15.266 -4.321 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.282 -4.828 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.357 -5.924 4.592 1.00 0.00 H new ATOM 0 HG LEU A 36 13.518 -3.185 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.280 -3.258 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.109 -3.190 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.882 -4.733 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.190 -4.346 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.824 -5.855 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.448 -5.134 6.816 1.00 0.00 H new ATOM 540 N GLN A 37 15.168 -6.509 2.672 1.00 0.00 N ATOM 541 CA GLN A 37 15.170 -7.687 1.815 1.00 0.00 C ATOM 542 C GLN A 37 14.587 -8.885 2.575 1.00 0.00 C ATOM 543 O GLN A 37 14.832 -9.039 3.776 1.00 0.00 O ATOM 544 CB GLN A 37 16.583 -7.947 1.259 1.00 0.00 C ATOM 545 CG GLN A 37 17.596 -8.370 2.338 1.00 0.00 C ATOM 546 CD GLN A 37 19.022 -8.481 1.814 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.925 -7.782 2.262 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.290 -9.372 0.879 1.00 0.00 N ATOM 0 H GLN A 37 15.619 -6.671 3.572 1.00 0.00 H new ATOM 0 HA GLN A 37 14.529 -7.518 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.528 -8.725 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.944 -7.044 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.571 -7.647 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.293 -9.331 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.544 -9.956 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.244 -9.477 0.533 1.00 0.00 H new ATOM 557 N TYR A 38 13.824 -9.730 1.874 1.00 0.00 N ATOM 558 CA TYR A 38 13.238 -10.949 2.439 1.00 0.00 C ATOM 559 C TYR A 38 14.160 -12.148 2.166 1.00 0.00 C ATOM 560 O TYR A 38 14.219 -12.665 1.053 1.00 0.00 O ATOM 561 CB TYR A 38 11.818 -11.153 1.905 1.00 0.00 C ATOM 562 CG TYR A 38 11.041 -12.201 2.679 1.00 0.00 C ATOM 563 CD1 TYR A 38 10.443 -11.849 3.901 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.967 -13.530 2.225 1.00 0.00 C ATOM 565 CE1 TYR A 38 9.794 -12.818 4.686 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.318 -14.509 3.003 1.00 0.00 C ATOM 567 CZ TYR A 38 9.742 -14.155 4.245 1.00 0.00 C ATOM 568 OH TYR A 38 9.148 -15.094 5.030 1.00 0.00 O ATOM 0 H TYR A 38 13.594 -9.586 0.891 1.00 0.00 H new ATOM 0 HA TYR A 38 13.153 -10.852 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.280 -10.206 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.868 -11.446 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.482 -10.824 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.409 -13.801 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.337 -12.538 5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.260 -15.529 2.651 1.00 0.00 H new ATOM 0 HH TYR A 38 8.731 -15.777 4.464 1.00 0.00 H new ATOM 578 N THR A 39 14.928 -12.557 3.178 1.00 0.00 N ATOM 579 CA THR A 39 16.037 -13.523 3.117 1.00 0.00 C ATOM 580 C THR A 39 15.617 -14.999 3.015 1.00 0.00 C ATOM 581 O THR A 39 16.482 -15.869 3.101 1.00 0.00 O ATOM 582 CB THR A 39 16.981 -13.316 4.325 1.00 0.00 C ATOM 583 OG1 THR A 39 16.265 -13.114 5.526 1.00 0.00 O ATOM 584 CG2 THR A 39 17.866 -12.085 4.142 1.00 0.00 C ATOM 0 H THR A 39 14.786 -12.202 4.124 1.00 0.00 H new ATOM 0 HA THR A 39 16.553 -13.313 2.180 1.00 0.00 H new ATOM 0 HB THR A 39 17.580 -14.225 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.896 -12.989 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.516 -11.972 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.475 -12.205 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.240 -11.199 4.039 1.00 0.00 H new ATOM 592 N GLY A 40 14.327 -15.310 2.827 1.00 0.00 N ATOM 593 CA GLY A 40 13.805 -16.682 2.770 1.00 0.00 C ATOM 594 C GLY A 40 12.903 -16.951 1.565 1.00 0.00 C ATOM 595 O GLY A 40 12.489 -16.030 0.861 1.00 0.00 O ATOM 0 H GLY A 40 13.603 -14.601 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.643 -17.379 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.246 -16.886 3.683 1.00 0.00 H new ATOM 599 N THR A 41 12.576 -18.230 1.350 1.00 0.00 N ATOM 600 CA THR A 41 11.737 -18.745 0.250 1.00 0.00 C ATOM 601 C THR A 41 10.310 -19.102 0.680 1.00 0.00 C ATOM 602 O THR A 41 9.513 -19.531 -0.151 1.00 0.00 O ATOM 603 CB THR A 41 12.401 -19.968 -0.402 1.00 0.00 C ATOM 604 OG1 THR A 41 12.849 -20.870 0.588 1.00 0.00 O ATOM 605 CG2 THR A 41 13.603 -19.566 -1.259 1.00 0.00 C ATOM 0 H THR A 41 12.903 -18.975 1.966 1.00 0.00 H new ATOM 0 HA THR A 41 11.654 -17.931 -0.470 1.00 0.00 H new ATOM 0 HB THR A 41 11.649 -20.439 -1.035 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.268 -21.645 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.047 -20.457 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.277 -18.890 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.343 -19.065 -0.635 1.00 0.00 H new ATOM 613 N ASP A 42 9.976 -18.929 1.962 1.00 0.00 N ATOM 614 CA ASP A 42 8.724 -19.340 2.591 1.00 0.00 C ATOM 615 C ASP A 42 8.158 -18.258 3.530 1.00 0.00 C ATOM 616 O ASP A 42 8.809 -17.251 3.805 1.00 0.00 O ATOM 617 CB ASP A 42 8.985 -20.648 3.355 1.00 0.00 C ATOM 618 CG ASP A 42 9.918 -20.463 4.560 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.031 -19.897 4.412 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.548 -20.910 5.671 1.00 0.00 O ATOM 0 H ASP A 42 10.607 -18.474 2.621 1.00 0.00 H new ATOM 0 HA ASP A 42 7.970 -19.492 1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.035 -21.058 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.421 -21.379 2.674 1.00 0.00 H new ATOM 625 N GLY A 43 6.949 -18.488 4.052 1.00 0.00 N ATOM 626 CA GLY A 43 6.308 -17.661 5.078 1.00 0.00 C ATOM 627 C GLY A 43 5.283 -16.623 4.589 1.00 0.00 C ATOM 628 O GLY A 43 5.434 -15.455 4.945 1.00 0.00 O ATOM 0 H GLY A 43 6.373 -19.278 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.810 -18.323 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.089 -17.135 5.628 1.00 0.00 H new ATOM 632 N PRO A 44 4.212 -17.005 3.857 1.00 0.00 N ATOM 633 CA PRO A 44 2.961 -16.239 3.799 1.00 0.00 C ATOM 634 C PRO A 44 2.440 -15.880 5.207 1.00 0.00 C ATOM 635 O PRO A 44 1.874 -16.725 5.901 1.00 0.00 O ATOM 636 CB PRO A 44 1.970 -17.100 3.002 1.00 0.00 C ATOM 637 CG PRO A 44 2.871 -17.997 2.163 1.00 0.00 C ATOM 638 CD PRO A 44 4.079 -18.221 3.069 1.00 0.00 C ATOM 0 HA PRO A 44 3.109 -15.277 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.325 -17.682 3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.319 -16.488 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.380 -18.936 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.154 -17.520 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.931 -19.089 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.979 -18.408 2.483 1.00 0.00 H new ATOM 646 N CYS A 45 2.697 -14.649 5.663 1.00 0.00 N ATOM 647 CA CYS A 45 2.574 -14.243 7.067 1.00 0.00 C ATOM 648 C CYS A 45 2.240 -12.750 7.222 1.00 0.00 C ATOM 649 O CYS A 45 2.411 -11.963 6.297 1.00 0.00 O ATOM 650 CB CYS A 45 3.903 -14.509 7.789 1.00 0.00 C ATOM 651 SG CYS A 45 4.284 -16.218 8.247 1.00 0.00 S ATOM 0 H CYS A 45 3.003 -13.891 5.053 1.00 0.00 H new ATOM 0 HA CYS A 45 1.758 -14.824 7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.709 -14.145 7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.917 -13.907 8.698 1.00 0.00 H new ATOM 656 N LYS A 46 1.838 -12.318 8.423 1.00 0.00 N ATOM 657 CA LYS A 46 1.684 -10.905 8.788 1.00 0.00 C ATOM 658 C LYS A 46 2.969 -10.364 9.426 1.00 0.00 C ATOM 659 O LYS A 46 3.202 -10.576 10.615 1.00 0.00 O ATOM 660 CB LYS A 46 0.433 -10.742 9.661 1.00 0.00 C ATOM 661 CG LYS A 46 0.323 -9.360 10.327 1.00 0.00 C ATOM 662 CD LYS A 46 -1.133 -8.893 10.383 1.00 0.00 C ATOM 663 CE LYS A 46 -1.599 -8.388 9.012 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.074 -7.037 8.728 1.00 0.00 N ATOM 0 H LYS A 46 1.606 -12.955 9.185 1.00 0.00 H new ATOM 0 HA LYS A 46 1.530 -10.296 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.452 -10.912 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.438 -11.510 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.733 -9.405 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.920 -8.636 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.771 -9.715 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.236 -8.098 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.268 -9.079 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.688 -8.371 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.393 -6.731 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.424 -6.371 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.034 -7.057 8.751 1.00 0.00 H new ATOM 678 N VAL A 47 3.783 -9.667 8.624 1.00 0.00 N ATOM 679 CA VAL A 47 5.002 -8.971 9.059 1.00 0.00 C ATOM 680 C VAL A 47 4.673 -7.808 10.018 1.00 0.00 C ATOM 681 O VAL A 47 4.002 -6.858 9.623 1.00 0.00 O ATOM 682 CB VAL A 47 5.878 -8.511 7.868 1.00 0.00 C ATOM 683 CG1 VAL A 47 5.131 -7.782 6.742 1.00 0.00 C ATOM 684 CG2 VAL A 47 7.056 -7.637 8.324 1.00 0.00 C ATOM 0 H VAL A 47 3.607 -9.568 7.624 1.00 0.00 H new ATOM 0 HA VAL A 47 5.599 -9.694 9.615 1.00 0.00 H new ATOM 0 HB VAL A 47 6.237 -9.451 7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.836 -7.503 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.368 -8.440 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.658 -6.884 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.644 -7.337 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.676 -6.749 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.685 -8.204 9.010 1.00 0.00 H new ATOM 694 N PRO A 48 5.134 -7.841 11.278 1.00 0.00 N ATOM 695 CA PRO A 48 4.942 -6.759 12.238 1.00 0.00 C ATOM 696 C PRO A 48 6.006 -5.656 12.069 1.00 0.00 C ATOM 697 O PRO A 48 7.026 -5.647 12.757 1.00 0.00 O ATOM 698 CB PRO A 48 5.016 -7.452 13.597 1.00 0.00 C ATOM 699 CG PRO A 48 6.063 -8.533 13.343 1.00 0.00 C ATOM 700 CD PRO A 48 5.840 -8.947 11.903 1.00 0.00 C ATOM 0 HA PRO A 48 3.995 -6.237 12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.320 -6.767 14.389 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.056 -7.875 13.893 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.073 -8.151 13.494 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.936 -9.376 14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.788 -9.140 11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.256 -9.866 11.846 1.00 0.00 H new ATOM 708 N ILE A 49 5.760 -4.706 11.161 1.00 0.00 N ATOM 709 CA ILE A 49 6.526 -3.453 11.054 1.00 0.00 C ATOM 710 C ILE A 49 5.699 -2.281 11.617 1.00 0.00 C ATOM 711 O ILE A 49 4.470 -2.291 11.530 1.00 0.00 O ATOM 712 CB ILE A 49 7.066 -3.245 9.615 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.844 -1.916 9.498 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.964 -3.347 8.545 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.768 -1.828 8.276 1.00 0.00 C ATOM 0 H ILE A 49 5.014 -4.784 10.469 1.00 0.00 H new ATOM 0 HA ILE A 49 7.422 -3.508 11.673 1.00 0.00 H new ATOM 0 HB ILE A 49 7.760 -4.063 9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.130 -1.093 9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.440 -1.777 10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.400 -3.193 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.505 -4.334 8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.206 -2.586 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.275 -0.863 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.508 -2.627 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.178 -1.932 7.365 1.00 0.00 H new ATOM 727 N SER A 50 6.369 -1.291 12.224 1.00 0.00 N ATOM 728 CA SER A 50 5.756 -0.240 13.050 1.00 0.00 C ATOM 729 C SER A 50 6.522 1.101 13.010 1.00 0.00 C ATOM 730 O SER A 50 7.657 1.169 12.536 1.00 0.00 O ATOM 731 CB SER A 50 5.698 -0.797 14.474 1.00 0.00 C ATOM 732 OG SER A 50 5.196 0.140 15.398 1.00 0.00 O ATOM 0 H SER A 50 7.382 -1.196 12.152 1.00 0.00 H new ATOM 0 HA SER A 50 4.766 -0.002 12.662 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.070 -1.688 14.487 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.697 -1.106 14.781 1.00 0.00 H new ATOM 0 HG SER A 50 5.755 0.137 16.203 1.00 0.00 H new ATOM 738 N SER A 51 5.890 2.172 13.520 1.00 0.00 N ATOM 739 CA SER A 51 6.357 3.570 13.516 1.00 0.00 C ATOM 740 C SER A 51 5.977 4.282 14.828 1.00 0.00 C ATOM 741 O SER A 51 4.794 4.565 15.061 1.00 0.00 O ATOM 742 CB SER A 51 5.752 4.314 12.314 1.00 0.00 C ATOM 743 OG SER A 51 6.386 5.569 12.159 1.00 0.00 O ATOM 0 H SER A 51 4.982 2.079 13.975 1.00 0.00 H new ATOM 0 HA SER A 51 7.444 3.573 13.433 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.874 3.720 11.408 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.681 4.453 12.462 1.00 0.00 H new ATOM 0 HG SER A 51 5.886 6.111 11.514 1.00 0.00 H new ATOM 749 N VAL A 52 6.955 4.548 15.709 1.00 0.00 N ATOM 750 CA VAL A 52 6.725 5.100 17.063 1.00 0.00 C ATOM 751 C VAL A 52 7.697 6.222 17.459 1.00 0.00 C ATOM 752 O VAL A 52 8.739 6.411 16.840 1.00 0.00 O ATOM 753 CB VAL A 52 6.710 3.983 18.128 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.498 3.076 17.946 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.980 3.131 18.176 1.00 0.00 C ATOM 0 H VAL A 52 7.941 4.385 15.503 1.00 0.00 H new ATOM 0 HA VAL A 52 5.740 5.564 17.021 1.00 0.00 H new ATOM 0 HB VAL A 52 6.655 4.508 19.082 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.509 2.297 18.708 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.586 3.664 18.042 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.532 2.618 16.958 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.880 2.373 18.953 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.129 2.645 17.212 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.837 3.767 18.398 1.00 0.00 H new ATOM 765 N ALA A 53 7.345 6.982 18.505 1.00 0.00 N ATOM 766 CA ALA A 53 7.984 8.256 18.858 1.00 0.00 C ATOM 767 C ALA A 53 8.886 8.188 20.104 1.00 0.00 C ATOM 768 O ALA A 53 9.558 9.159 20.448 1.00 0.00 O ATOM 769 CB ALA A 53 6.876 9.298 19.051 1.00 0.00 C ATOM 0 H ALA A 53 6.592 6.722 19.142 1.00 0.00 H new ATOM 0 HA ALA A 53 8.655 8.528 18.043 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.321 10.258 19.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.310 9.403 18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.209 8.976 19.850 1.00 0.00 H new ATOM 775 N SER A 54 8.897 7.068 20.830 1.00 0.00 N ATOM 776 CA SER A 54 9.739 6.858 22.020 1.00 0.00 C ATOM 777 C SER A 54 10.025 5.366 22.247 1.00 0.00 C ATOM 778 O SER A 54 10.061 4.898 23.380 1.00 0.00 O ATOM 779 CB SER A 54 9.068 7.513 23.237 1.00 0.00 C ATOM 780 OG SER A 54 9.040 8.918 23.055 1.00 0.00 O ATOM 0 H SER A 54 8.311 6.263 20.607 1.00 0.00 H new ATOM 0 HA SER A 54 10.708 7.332 21.865 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.055 7.130 23.358 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.614 7.263 24.147 1.00 0.00 H new ATOM 0 HG SER A 54 9.547 9.154 22.250 1.00 0.00 H new ATOM 786 N LEU A 55 10.165 4.604 21.148 1.00 0.00 N ATOM 787 CA LEU A 55 10.305 3.137 21.105 1.00 0.00 C ATOM 788 C LEU A 55 9.140 2.361 21.762 1.00 0.00 C ATOM 789 O LEU A 55 9.211 1.148 21.948 1.00 0.00 O ATOM 790 CB LEU A 55 11.719 2.727 21.589 1.00 0.00 C ATOM 791 CG LEU A 55 12.591 2.183 20.440 1.00 0.00 C ATOM 792 CD1 LEU A 55 14.068 2.156 20.832 1.00 0.00 C ATOM 793 CD2 LEU A 55 12.164 0.773 20.022 1.00 0.00 C ATOM 0 H LEU A 55 10.185 5.017 20.216 1.00 0.00 H new ATOM 0 HA LEU A 55 10.218 2.826 20.064 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.211 3.589 22.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.630 1.968 22.366 1.00 0.00 H new ATOM 0 HG LEU A 55 12.450 2.860 19.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.658 1.768 20.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.399 3.166 21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.202 1.515 21.703 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.803 0.425 19.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.258 0.097 20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.127 0.791 19.686 1.00 0.00 H new ATOM 805 N ASN A 56 8.037 3.060 22.050 1.00 0.00 N ATOM 806 CA ASN A 56 6.777 2.627 22.654 1.00 0.00 C ATOM 807 C ASN A 56 5.947 1.661 21.775 1.00 0.00 C ATOM 808 O ASN A 56 4.737 1.836 21.618 1.00 0.00 O ATOM 809 CB ASN A 56 6.012 3.918 23.008 1.00 0.00 C ATOM 810 CG ASN A 56 5.713 4.789 21.791 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.503 5.638 21.395 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.592 4.564 21.143 1.00 0.00 N ATOM 0 H ASN A 56 8.005 4.058 21.840 1.00 0.00 H new ATOM 0 HA ASN A 56 6.979 2.026 23.541 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.075 3.655 23.498 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.596 4.494 23.725 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.373 5.098 20.302 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.941 3.855 21.481 1.00 0.00 H new ATOM 819 N ASP A 57 6.584 0.643 21.186 1.00 0.00 N ATOM 820 CA ASP A 57 6.026 -0.173 20.098 1.00 0.00 C ATOM 821 C ASP A 57 4.774 -0.997 20.450 1.00 0.00 C ATOM 822 O ASP A 57 4.078 -1.485 19.564 1.00 0.00 O ATOM 823 CB ASP A 57 7.132 -1.044 19.491 1.00 0.00 C ATOM 824 CG ASP A 57 6.819 -1.361 18.029 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.476 -0.397 17.300 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.956 -2.537 17.635 1.00 0.00 O ATOM 0 H ASP A 57 7.524 0.356 21.458 1.00 0.00 H new ATOM 0 HA ASP A 57 5.654 0.535 19.358 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.090 -0.528 19.561 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.227 -1.970 20.058 1.00 0.00 H new ATOM 831 N LEU A 58 4.416 -1.053 21.736 1.00 0.00 N ATOM 832 CA LEU A 58 3.100 -1.458 22.233 1.00 0.00 C ATOM 833 C LEU A 58 1.929 -0.599 21.701 1.00 0.00 C ATOM 834 O LEU A 58 0.767 -0.937 21.930 1.00 0.00 O ATOM 835 CB LEU A 58 3.144 -1.457 23.772 1.00 0.00 C ATOM 836 CG LEU A 58 3.296 -0.045 24.393 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.041 0.362 25.167 1.00 0.00 C ATOM 838 CD2 LEU A 58 4.507 0.026 25.326 1.00 0.00 C ATOM 0 H LEU A 58 5.061 -0.808 22.488 1.00 0.00 H new ATOM 0 HA LEU A 58 2.895 -2.459 21.853 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.231 -1.915 24.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.975 -2.080 24.103 1.00 0.00 H new ATOM 0 HG LEU A 58 3.443 0.648 23.565 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.181 1.357 25.590 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.185 0.371 24.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.862 -0.352 25.971 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.585 1.029 25.745 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.387 -0.696 26.134 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.413 -0.205 24.765 1.00 0.00 H new ATOM 850 N THR A 59 2.183 0.533 21.032 1.00 0.00 N ATOM 851 CA THR A 59 1.161 1.344 20.350 1.00 0.00 C ATOM 852 C THR A 59 1.796 2.175 19.221 1.00 0.00 C ATOM 853 O THR A 59 2.651 3.012 19.520 1.00 0.00 O ATOM 854 CB THR A 59 0.449 2.256 21.364 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.293 1.450 22.252 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.548 3.224 20.723 1.00 0.00 C ATOM 0 H THR A 59 3.123 0.920 20.947 1.00 0.00 H new ATOM 0 HA THR A 59 0.423 0.677 19.904 1.00 0.00 H new ATOM 0 HB THR A 59 1.230 2.837 21.854 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.195 0.508 21.999 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.011 3.835 21.498 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.026 3.869 20.016 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.318 2.659 20.198 1.00 0.00 H new ATOM 864 N PRO A 60 1.399 1.990 17.942 1.00 0.00 N ATOM 865 CA PRO A 60 1.932 2.759 16.819 1.00 0.00 C ATOM 866 C PRO A 60 1.486 4.230 16.893 1.00 0.00 C ATOM 867 O PRO A 60 0.340 4.519 17.240 1.00 0.00 O ATOM 868 CB PRO A 60 1.415 2.052 15.563 1.00 0.00 C ATOM 869 CG PRO A 60 0.087 1.456 16.018 1.00 0.00 C ATOM 870 CD PRO A 60 0.365 1.074 17.472 1.00 0.00 C ATOM 0 HA PRO A 60 3.021 2.794 16.823 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.281 2.749 14.736 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.106 1.281 15.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.728 2.176 15.938 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.193 0.590 15.419 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.537 1.162 18.077 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.699 0.039 17.546 1.00 0.00 H new ATOM 878 N VAL A 61 2.383 5.160 16.539 1.00 0.00 N ATOM 879 CA VAL A 61 2.133 6.617 16.606 1.00 0.00 C ATOM 880 C VAL A 61 2.180 7.246 15.210 1.00 0.00 C ATOM 881 O VAL A 61 1.401 8.151 14.906 1.00 0.00 O ATOM 882 CB VAL A 61 3.113 7.332 17.565 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.594 8.728 17.938 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.352 6.568 18.874 1.00 0.00 C ATOM 0 H VAL A 61 3.314 4.926 16.194 1.00 0.00 H new ATOM 0 HA VAL A 61 1.130 6.751 17.011 1.00 0.00 H new ATOM 0 HB VAL A 61 4.053 7.391 17.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.301 9.211 18.613 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.486 9.329 17.035 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.626 8.637 18.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.049 7.126 19.499 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.407 6.448 19.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.771 5.587 18.651 1.00 0.00 H new ATOM 894 N GLY A 62 3.046 6.721 14.339 1.00 0.00 N ATOM 895 CA GLY A 62 2.925 6.808 12.889 1.00 0.00 C ATOM 896 C GLY A 62 2.182 5.589 12.332 1.00 0.00 C ATOM 897 O GLY A 62 1.585 4.809 13.080 1.00 0.00 O ATOM 0 H GLY A 62 3.876 6.208 14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.392 7.720 12.618 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.916 6.872 12.440 1.00 0.00 H new ATOM 901 N ARG A 63 2.222 5.404 11.012 1.00 0.00 N ATOM 902 CA ARG A 63 1.579 4.290 10.298 1.00 0.00 C ATOM 903 C ARG A 63 2.509 3.682 9.249 1.00 0.00 C ATOM 904 O ARG A 63 3.560 4.236 8.934 1.00 0.00 O ATOM 905 CB ARG A 63 0.255 4.759 9.654 1.00 0.00 C ATOM 906 CG ARG A 63 0.462 5.957 8.711 1.00 0.00 C ATOM 907 CD ARG A 63 -0.670 6.197 7.715 1.00 0.00 C ATOM 908 NE ARG A 63 -1.978 6.276 8.372 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.631 7.331 8.828 1.00 0.00 C ATOM 910 NH1 ARG A 63 -2.141 8.547 8.871 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.848 7.125 9.260 1.00 0.00 N ATOM 0 H ARG A 63 2.716 6.042 10.388 1.00 0.00 H new ATOM 0 HA ARG A 63 1.357 3.509 11.026 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.190 3.933 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.452 5.033 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.592 6.856 9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.388 5.808 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.482 7.122 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.682 5.392 6.980 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.456 5.383 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.194 8.727 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.707 9.312 9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.246 6.186 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.399 7.903 9.623 1.00 0.00 H new ATOM 925 N LEU A 64 2.068 2.566 8.673 1.00 0.00 N ATOM 926 CA LEU A 64 2.564 2.038 7.408 1.00 0.00 C ATOM 927 C LEU A 64 1.799 2.749 6.281 1.00 0.00 C ATOM 928 O LEU A 64 0.596 2.971 6.416 1.00 0.00 O ATOM 929 CB LEU A 64 2.342 0.511 7.355 1.00 0.00 C ATOM 930 CG LEU A 64 2.887 -0.339 8.527 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.271 0.110 8.990 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.946 -0.404 9.739 1.00 0.00 C ATOM 0 H LEU A 64 1.335 1.989 9.086 1.00 0.00 H new ATOM 0 HA LEU A 64 3.634 2.217 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.269 0.331 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.792 0.139 6.434 1.00 0.00 H new ATOM 0 HG LEU A 64 2.960 -1.342 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.602 -0.522 9.814 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.976 0.027 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.224 1.146 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.398 -1.018 10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.776 0.602 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.995 -0.843 9.438 1.00 0.00 H new ATOM 944 N VAL A 65 2.479 3.114 5.188 1.00 0.00 N ATOM 945 CA VAL A 65 1.868 3.849 4.065 1.00 0.00 C ATOM 946 C VAL A 65 1.739 2.951 2.837 1.00 0.00 C ATOM 947 O VAL A 65 0.657 2.877 2.262 1.00 0.00 O ATOM 948 CB VAL A 65 2.653 5.140 3.751 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.101 5.890 2.531 1.00 0.00 C ATOM 950 CG2 VAL A 65 2.648 6.104 4.946 1.00 0.00 C ATOM 0 H VAL A 65 3.469 2.910 5.053 1.00 0.00 H new ATOM 0 HA VAL A 65 0.863 4.149 4.360 1.00 0.00 H new ATOM 0 HB VAL A 65 3.670 4.813 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.692 6.789 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.155 5.246 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.063 6.168 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.210 7.003 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.621 6.375 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.110 5.620 5.806 1.00 0.00 H new ATOM 960 N THR A 66 2.816 2.261 2.436 1.00 0.00 N ATOM 961 CA THR A 66 2.846 1.464 1.195 1.00 0.00 C ATOM 962 C THR A 66 1.770 0.375 1.129 1.00 0.00 C ATOM 963 O THR A 66 1.172 0.195 0.071 1.00 0.00 O ATOM 964 CB THR A 66 4.246 0.856 0.989 1.00 0.00 C ATOM 965 OG1 THR A 66 5.154 1.897 0.721 1.00 0.00 O ATOM 966 CG2 THR A 66 4.367 -0.123 -0.180 1.00 0.00 C ATOM 0 H THR A 66 3.691 2.238 2.960 1.00 0.00 H new ATOM 0 HA THR A 66 2.618 2.155 0.383 1.00 0.00 H new ATOM 0 HB THR A 66 4.452 0.304 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.874 1.563 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.390 -0.494 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.686 -0.960 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.111 0.386 -1.109 1.00 0.00 H new ATOM 974 N VAL A 67 1.538 -0.376 2.215 1.00 0.00 N ATOM 975 CA VAL A 67 0.592 -1.504 2.233 1.00 0.00 C ATOM 976 C VAL A 67 0.167 -1.846 3.671 1.00 0.00 C ATOM 977 O VAL A 67 0.869 -1.505 4.624 1.00 0.00 O ATOM 978 CB VAL A 67 1.235 -2.712 1.496 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.408 -3.351 2.256 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.217 -3.787 1.094 1.00 0.00 C ATOM 0 H VAL A 67 2.002 -0.219 3.110 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.323 -1.230 1.707 1.00 0.00 H new ATOM 0 HB VAL A 67 1.640 -2.274 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.804 -4.187 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.192 -2.609 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.061 -3.711 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.731 -4.602 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.277 -4.172 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.527 -3.352 0.426 1.00 0.00 H new ATOM 990 N ASN A 68 -0.945 -2.580 3.827 1.00 0.00 N ATOM 991 CA ASN A 68 -1.217 -3.389 5.019 1.00 0.00 C ATOM 992 C ASN A 68 -0.055 -4.388 5.184 1.00 0.00 C ATOM 993 O ASN A 68 0.156 -5.200 4.281 1.00 0.00 O ATOM 994 CB ASN A 68 -2.577 -4.104 4.855 1.00 0.00 C ATOM 995 CG ASN A 68 -2.905 -5.116 5.957 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.122 -5.420 6.847 1.00 0.00 O ATOM 997 ND2 ASN A 68 -4.065 -5.735 5.903 1.00 0.00 N ATOM 0 H ASN A 68 -1.683 -2.628 3.125 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.282 -2.772 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.366 -3.352 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.588 -4.618 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.294 -6.450 6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.735 -5.500 5.171 1.00 0.00 H new ATOM 1004 N PRO A 69 0.729 -4.342 6.275 1.00 0.00 N ATOM 1005 CA PRO A 69 1.960 -5.110 6.383 1.00 0.00 C ATOM 1006 C PRO A 69 1.682 -6.616 6.537 1.00 0.00 C ATOM 1007 O PRO A 69 1.452 -7.122 7.639 1.00 0.00 O ATOM 1008 CB PRO A 69 2.704 -4.475 7.558 1.00 0.00 C ATOM 1009 CG PRO A 69 1.577 -3.998 8.470 1.00 0.00 C ATOM 1010 CD PRO A 69 0.551 -3.500 7.452 1.00 0.00 C ATOM 0 HA PRO A 69 2.572 -5.070 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.351 -5.194 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.337 -3.649 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.182 -4.803 9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.903 -3.206 9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.463 -3.583 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.715 -2.450 7.211 1.00 0.00 H new ATOM 1018 N PHE A 70 1.679 -7.335 5.411 1.00 0.00 N ATOM 1019 CA PHE A 70 1.683 -8.792 5.346 1.00 0.00 C ATOM 1020 C PHE A 70 2.505 -9.295 4.147 1.00 0.00 C ATOM 1021 O PHE A 70 2.397 -8.785 3.033 1.00 0.00 O ATOM 1022 CB PHE A 70 0.249 -9.345 5.378 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.607 -9.083 4.152 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.398 -7.924 4.063 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -0.671 -10.045 3.131 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -2.237 -7.724 2.952 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -1.518 -9.856 2.025 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.298 -8.690 1.933 1.00 0.00 C ATOM 0 H PHE A 70 1.674 -6.899 4.489 1.00 0.00 H new ATOM 0 HA PHE A 70 2.182 -9.180 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.303 -10.423 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.260 -8.924 6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.361 -7.185 4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.065 -10.937 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.835 -6.827 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.569 -10.605 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.943 -8.537 1.081 1.00 0.00 H new ATOM 1038 N VAL A 71 3.336 -10.309 4.401 1.00 0.00 N ATOM 1039 CA VAL A 71 4.116 -11.087 3.438 1.00 0.00 C ATOM 1040 C VAL A 71 3.126 -11.921 2.625 1.00 0.00 C ATOM 1041 O VAL A 71 2.735 -13.012 3.034 1.00 0.00 O ATOM 1042 CB VAL A 71 5.154 -11.989 4.155 1.00 0.00 C ATOM 1043 CG1 VAL A 71 6.132 -12.597 3.146 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.973 -11.227 5.206 1.00 0.00 C ATOM 0 H VAL A 71 3.492 -10.631 5.356 1.00 0.00 H new ATOM 0 HA VAL A 71 4.684 -10.425 2.784 1.00 0.00 H new ATOM 0 HB VAL A 71 4.578 -12.768 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.851 -13.226 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.582 -13.200 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.660 -11.799 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.684 -11.907 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.514 -10.412 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.304 -10.820 5.964 1.00 0.00 H new ATOM 1054 N SER A 72 2.637 -11.359 1.517 1.00 0.00 N ATOM 1055 CA SER A 72 1.463 -11.869 0.800 1.00 0.00 C ATOM 1056 C SER A 72 1.642 -13.273 0.218 1.00 0.00 C ATOM 1057 O SER A 72 0.667 -14.025 0.146 1.00 0.00 O ATOM 1058 CB SER A 72 1.073 -10.895 -0.318 1.00 0.00 C ATOM 1059 OG SER A 72 1.143 -9.548 0.115 1.00 0.00 O ATOM 0 H SER A 72 3.047 -10.530 1.088 1.00 0.00 H new ATOM 0 HA SER A 72 0.670 -11.947 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.734 -11.038 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.061 -11.116 -0.657 1.00 0.00 H new ATOM 0 HG SER A 72 0.408 -9.366 0.737 1.00 0.00 H new ATOM 1065 N VAL A 73 2.870 -13.615 -0.182 1.00 0.00 N ATOM 1066 CA VAL A 73 3.253 -14.823 -0.924 1.00 0.00 C ATOM 1067 C VAL A 73 4.621 -15.334 -0.467 1.00 0.00 C ATOM 1068 O VAL A 73 5.466 -14.559 -0.024 1.00 0.00 O ATOM 1069 CB VAL A 73 3.322 -14.536 -2.445 1.00 0.00 C ATOM 1070 CG1 VAL A 73 1.934 -14.570 -3.091 1.00 0.00 C ATOM 1071 CG2 VAL A 73 4.010 -13.205 -2.797 1.00 0.00 C ATOM 0 H VAL A 73 3.674 -13.020 0.015 1.00 0.00 H new ATOM 0 HA VAL A 73 2.493 -15.579 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 73 3.938 -15.339 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.024 -14.364 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.490 -15.555 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.299 -13.815 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.019 -13.075 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.464 -12.381 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.034 -13.215 -2.424 1.00 0.00 H new ATOM 1081 N ALA A 74 4.884 -16.628 -0.680 1.00 0.00 N ATOM 1082 CA ALA A 74 6.209 -17.230 -0.506 1.00 0.00 C ATOM 1083 C ALA A 74 7.262 -16.623 -1.459 1.00 0.00 C ATOM 1084 O ALA A 74 8.448 -16.590 -1.140 1.00 0.00 O ATOM 1085 CB ALA A 74 6.065 -18.740 -0.718 1.00 0.00 C ATOM 0 H ALA A 74 4.173 -17.294 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 74 6.573 -17.020 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.036 -19.219 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.366 -19.145 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.690 -18.932 -1.723 1.00 0.00 H new ATOM 1091 N THR A 75 6.823 -16.082 -2.603 1.00 0.00 N ATOM 1092 CA THR A 75 7.620 -15.364 -3.605 1.00 0.00 C ATOM 1093 C THR A 75 8.038 -13.943 -3.192 1.00 0.00 C ATOM 1094 O THR A 75 8.648 -13.237 -3.989 1.00 0.00 O ATOM 1095 CB THR A 75 6.885 -15.310 -4.966 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.599 -15.900 -4.914 1.00 0.00 O ATOM 1097 CG2 THR A 75 7.683 -16.053 -6.036 1.00 0.00 C ATOM 0 H THR A 75 5.840 -16.138 -2.870 1.00 0.00 H new ATOM 0 HA THR A 75 8.539 -15.943 -3.694 1.00 0.00 H new ATOM 0 HB THR A 75 6.785 -14.252 -5.209 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.175 -15.840 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.151 -16.004 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.664 -15.590 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.805 -17.095 -5.741 1.00 0.00 H new ATOM 1105 N ALA A 76 7.750 -13.496 -1.962 1.00 0.00 N ATOM 1106 CA ALA A 76 8.095 -12.167 -1.437 1.00 0.00 C ATOM 1107 C ALA A 76 9.610 -11.877 -1.288 1.00 0.00 C ATOM 1108 O ALA A 76 9.971 -10.883 -0.665 1.00 0.00 O ATOM 1109 CB ALA A 76 7.369 -11.994 -0.097 1.00 0.00 C ATOM 0 H ALA A 76 7.253 -14.070 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 76 7.769 -11.437 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.604 -11.015 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.293 -12.073 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.693 -12.771 0.595 1.00 0.00 H new ATOM 1115 N ASN A 77 10.493 -12.704 -1.867 1.00 0.00 N ATOM 1116 CA ASN A 77 11.963 -12.804 -1.728 1.00 0.00 C ATOM 1117 C ASN A 77 12.756 -11.553 -2.184 1.00 0.00 C ATOM 1118 O ASN A 77 13.962 -11.622 -2.417 1.00 0.00 O ATOM 1119 CB ASN A 77 12.454 -14.064 -2.486 1.00 0.00 C ATOM 1120 CG ASN A 77 11.427 -15.184 -2.558 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.878 -15.465 -3.609 1.00 0.00 O ATOM 1122 ND2 ASN A 77 11.058 -15.768 -1.441 1.00 0.00 N ATOM 0 H ASN A 77 10.157 -13.407 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 77 12.164 -12.880 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.736 -13.778 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.353 -14.441 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.309 -16.460 -1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.521 -15.529 -0.564 1.00 0.00 H new ATOM 1129 N ALA A 78 12.070 -10.428 -2.390 1.00 0.00 N ATOM 1130 CA ALA A 78 12.574 -9.204 -2.985 1.00 0.00 C ATOM 1131 C ALA A 78 13.464 -8.378 -2.039 1.00 0.00 C ATOM 1132 O ALA A 78 13.582 -8.643 -0.839 1.00 0.00 O ATOM 1133 CB ALA A 78 11.356 -8.392 -3.453 1.00 0.00 C ATOM 0 H ALA A 78 11.088 -10.349 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 78 13.225 -9.461 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.693 -7.461 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.793 -8.971 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.718 -8.168 -2.598 1.00 0.00 H new ATOM 1139 N LYS A 79 14.034 -7.318 -2.623 1.00 0.00 N ATOM 1140 CA LYS A 79 14.762 -6.200 -2.021 1.00 0.00 C ATOM 1141 C LYS A 79 13.939 -4.947 -2.340 1.00 0.00 C ATOM 1142 O LYS A 79 13.802 -4.598 -3.512 1.00 0.00 O ATOM 1143 CB LYS A 79 16.189 -6.217 -2.605 1.00 0.00 C ATOM 1144 CG LYS A 79 17.110 -5.048 -2.223 1.00 0.00 C ATOM 1145 CD LYS A 79 16.836 -3.759 -3.017 1.00 0.00 C ATOM 1146 CE LYS A 79 18.079 -2.862 -3.072 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.742 -1.505 -3.553 1.00 0.00 N ATOM 0 H LYS A 79 13.991 -7.213 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 79 14.880 -6.246 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.671 -7.144 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.111 -6.246 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.996 -4.840 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.146 -5.347 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.523 -4.013 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.012 -3.214 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.528 -2.798 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.824 -3.309 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.415 -0.819 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.795 -1.482 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.778 -1.259 -3.250 1.00 0.00 H new ATOM 1161 N VAL A 80 13.286 -4.364 -1.329 1.00 0.00 N ATOM 1162 CA VAL A 80 12.084 -3.534 -1.506 1.00 0.00 C ATOM 1163 C VAL A 80 11.998 -2.380 -0.495 1.00 0.00 C ATOM 1164 O VAL A 80 12.102 -2.578 0.718 1.00 0.00 O ATOM 1165 CB VAL A 80 10.820 -4.429 -1.497 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.741 -5.411 -0.316 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.524 -3.609 -1.551 1.00 0.00 C ATOM 0 H VAL A 80 13.577 -4.454 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 80 12.153 -3.049 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 80 10.920 -5.022 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.825 -5.996 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.602 -6.079 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.741 -4.854 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.667 -4.282 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.475 -2.948 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.508 -3.013 -2.464 1.00 0.00 H new ATOM 1177 N LEU A 81 11.803 -1.165 -1.029 1.00 0.00 N ATOM 1178 CA LEU A 81 11.487 0.070 -0.307 1.00 0.00 C ATOM 1179 C LEU A 81 9.996 0.124 0.061 1.00 0.00 C ATOM 1180 O LEU A 81 9.130 -0.144 -0.771 1.00 0.00 O ATOM 1181 CB LEU A 81 11.850 1.286 -1.190 1.00 0.00 C ATOM 1182 CG LEU A 81 13.315 1.737 -1.034 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.762 2.571 -2.237 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.518 2.593 0.220 1.00 0.00 C ATOM 0 H LEU A 81 11.866 -1.013 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 81 12.068 0.094 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.663 1.036 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.192 2.118 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 81 13.907 0.825 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.799 2.877 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.674 1.975 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.131 3.456 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.564 2.890 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.892 3.483 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.243 2.016 1.103 1.00 0.00 H new ATOM 1196 N ILE A 82 9.715 0.522 1.304 1.00 0.00 N ATOM 1197 CA ILE A 82 8.387 0.663 1.908 1.00 0.00 C ATOM 1198 C ILE A 82 8.313 2.031 2.602 1.00 0.00 C ATOM 1199 O ILE A 82 9.194 2.375 3.389 1.00 0.00 O ATOM 1200 CB ILE A 82 8.174 -0.520 2.887 1.00 0.00 C ATOM 1201 CG1 ILE A 82 7.844 -1.822 2.120 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.072 -0.253 3.927 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.391 -3.070 2.821 1.00 0.00 C ATOM 0 H ILE A 82 10.457 0.771 1.958 1.00 0.00 H new ATOM 0 HA ILE A 82 7.590 0.628 1.165 1.00 0.00 H new ATOM 0 HB ILE A 82 9.116 -0.633 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.763 -1.913 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.259 -1.763 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.972 -1.119 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.336 0.622 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.126 -0.073 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.132 -3.956 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.475 -2.995 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.956 -3.148 3.817 1.00 0.00 H new ATOM 1215 N GLU A 83 7.268 2.816 2.324 1.00 0.00 N ATOM 1216 CA GLU A 83 6.961 4.043 3.059 1.00 0.00 C ATOM 1217 C GLU A 83 6.226 3.748 4.370 1.00 0.00 C ATOM 1218 O GLU A 83 5.221 3.025 4.406 1.00 0.00 O ATOM 1219 CB GLU A 83 6.100 5.012 2.238 1.00 0.00 C ATOM 1220 CG GLU A 83 6.870 5.750 1.145 1.00 0.00 C ATOM 1221 CD GLU A 83 6.039 6.930 0.634 1.00 0.00 C ATOM 1222 OE1 GLU A 83 5.129 6.685 -0.186 1.00 0.00 O ATOM 1223 OE2 GLU A 83 6.299 8.063 1.108 1.00 0.00 O ATOM 0 H GLU A 83 6.606 2.614 1.575 1.00 0.00 H new ATOM 0 HA GLU A 83 7.925 4.507 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.281 4.457 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.652 5.744 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.823 6.106 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.096 5.070 0.324 1.00 0.00 H new ATOM 1230 N LEU A 84 6.694 4.414 5.426 1.00 0.00 N ATOM 1231 CA LEU A 84 6.017 4.626 6.699 1.00 0.00 C ATOM 1232 C LEU A 84 5.737 6.125 6.884 1.00 0.00 C ATOM 1233 O LEU A 84 6.373 6.982 6.267 1.00 0.00 O ATOM 1234 CB LEU A 84 6.911 4.099 7.841 1.00 0.00 C ATOM 1235 CG LEU A 84 6.720 2.615 8.185 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.064 1.663 7.040 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.637 2.256 9.347 1.00 0.00 C ATOM 0 H LEU A 84 7.617 4.847 5.410 1.00 0.00 H new ATOM 0 HA LEU A 84 5.069 4.088 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.954 4.262 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.718 4.691 8.736 1.00 0.00 H new ATOM 0 HG LEU A 84 5.662 2.495 8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.903 0.634 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.426 1.879 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.108 1.796 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.509 1.203 9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.673 2.438 9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.386 2.870 10.212 1.00 0.00 H new ATOM 1249 N GLU A 85 4.812 6.446 7.784 1.00 0.00 N ATOM 1250 CA GLU A 85 4.602 7.802 8.282 1.00 0.00 C ATOM 1251 C GLU A 85 5.406 7.977 9.588 1.00 0.00 C ATOM 1252 O GLU A 85 5.242 7.165 10.509 1.00 0.00 O ATOM 1253 CB GLU A 85 3.110 8.047 8.511 1.00 0.00 C ATOM 1254 CG GLU A 85 2.775 9.527 8.717 1.00 0.00 C ATOM 1255 CD GLU A 85 1.368 9.685 9.302 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.386 9.305 8.621 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.279 10.137 10.466 1.00 0.00 O ATOM 0 H GLU A 85 4.177 5.761 8.194 1.00 0.00 H new ATOM 0 HA GLU A 85 4.949 8.533 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.549 7.668 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.783 7.481 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.506 9.981 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.841 10.056 7.766 1.00 0.00 H new ATOM 1264 N PRO A 86 6.285 8.992 9.684 1.00 0.00 N ATOM 1265 CA PRO A 86 7.019 9.329 10.894 1.00 0.00 C ATOM 1266 C PRO A 86 6.134 10.122 11.875 1.00 0.00 C ATOM 1267 O PRO A 86 5.573 11.150 11.486 1.00 0.00 O ATOM 1268 CB PRO A 86 8.188 10.194 10.404 1.00 0.00 C ATOM 1269 CG PRO A 86 7.640 10.909 9.173 1.00 0.00 C ATOM 1270 CD PRO A 86 6.639 9.907 8.613 1.00 0.00 C ATOM 0 HA PRO A 86 7.351 8.442 11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.505 10.904 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.057 9.584 10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.163 11.854 9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.427 11.137 8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.753 10.420 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.071 9.364 7.773 1.00 0.00 H new ATOM 1278 N PRO A 87 6.019 9.723 13.157 1.00 0.00 N ATOM 1279 CA PRO A 87 5.558 10.637 14.197 1.00 0.00 C ATOM 1280 C PRO A 87 6.619 11.721 14.476 1.00 0.00 C ATOM 1281 O PRO A 87 7.751 11.651 13.998 1.00 0.00 O ATOM 1282 CB PRO A 87 5.283 9.743 15.405 1.00 0.00 C ATOM 1283 CG PRO A 87 6.311 8.623 15.252 1.00 0.00 C ATOM 1284 CD PRO A 87 6.429 8.453 13.739 1.00 0.00 C ATOM 0 HA PRO A 87 4.662 11.190 13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.412 10.283 16.343 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.263 9.358 15.397 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.267 8.891 15.702 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.978 7.704 15.735 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.451 8.205 13.453 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.794 7.640 13.387 1.00 0.00 H new ATOM 1292 N PHE A 88 6.249 12.758 15.231 1.00 0.00 N ATOM 1293 CA PHE A 88 7.133 13.901 15.477 1.00 0.00 C ATOM 1294 C PHE A 88 8.018 13.697 16.716 1.00 0.00 C ATOM 1295 O PHE A 88 7.748 12.850 17.569 1.00 0.00 O ATOM 1296 CB PHE A 88 6.288 15.182 15.571 1.00 0.00 C ATOM 1297 CG PHE A 88 5.282 15.377 14.442 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.625 15.082 13.105 1.00 0.00 C ATOM 1299 CD2 PHE A 88 3.982 15.835 14.736 1.00 0.00 C ATOM 1300 CE1 PHE A 88 4.671 15.221 12.081 1.00 0.00 C ATOM 1301 CE2 PHE A 88 3.032 15.984 13.709 1.00 0.00 C ATOM 1302 CZ PHE A 88 3.375 15.673 12.382 1.00 0.00 C ATOM 0 H PHE A 88 5.338 12.830 15.685 1.00 0.00 H new ATOM 0 HA PHE A 88 7.823 13.996 14.639 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.750 15.175 16.519 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.959 16.041 15.591 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.624 14.748 12.867 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.714 16.073 15.755 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.935 14.980 11.062 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.038 16.338 13.941 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.644 15.781 11.595 1.00 0.00 H new ATOM 1312 N GLY A 89 9.084 14.496 16.816 1.00 0.00 N ATOM 1313 CA GLY A 89 10.122 14.360 17.829 1.00 0.00 C ATOM 1314 C GLY A 89 11.152 13.329 17.383 1.00 0.00 C ATOM 1315 O GLY A 89 12.158 13.682 16.771 1.00 0.00 O ATOM 0 H GLY A 89 9.249 15.273 16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.607 15.322 17.997 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.679 14.057 18.778 1.00 0.00 H new ATOM 1319 N ASP A 90 10.875 12.048 17.625 1.00 0.00 N ATOM 1320 CA ASP A 90 11.635 10.928 17.069 1.00 0.00 C ATOM 1321 C ASP A 90 10.742 10.053 16.174 1.00 0.00 C ATOM 1322 O ASP A 90 9.523 10.206 16.111 1.00 0.00 O ATOM 1323 CB ASP A 90 12.287 10.099 18.191 1.00 0.00 C ATOM 1324 CG ASP A 90 13.541 10.707 18.829 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.306 11.425 18.145 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.845 10.361 19.999 1.00 0.00 O ATOM 0 H ASP A 90 10.103 11.754 18.223 1.00 0.00 H new ATOM 0 HA ASP A 90 12.434 11.332 16.447 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.546 9.937 18.974 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.546 9.119 17.789 1.00 0.00 H new ATOM 1331 N SER A 91 11.363 9.126 15.450 1.00 0.00 N ATOM 1332 CA SER A 91 10.707 8.159 14.575 1.00 0.00 C ATOM 1333 C SER A 91 11.489 6.853 14.610 1.00 0.00 C ATOM 1334 O SER A 91 12.367 6.604 13.787 1.00 0.00 O ATOM 1335 CB SER A 91 10.610 8.724 13.162 1.00 0.00 C ATOM 1336 OG SER A 91 9.585 9.686 13.113 1.00 0.00 O ATOM 0 H SER A 91 12.378 9.024 15.457 1.00 0.00 H new ATOM 0 HA SER A 91 9.692 7.961 14.919 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.560 9.173 12.872 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.406 7.923 12.451 1.00 0.00 H new ATOM 0 HG SER A 91 9.336 9.946 14.025 1.00 0.00 H new ATOM 1342 N TYR A 92 11.186 6.031 15.610 1.00 0.00 N ATOM 1343 CA TYR A 92 11.728 4.691 15.765 1.00 0.00 C ATOM 1344 C TYR A 92 10.865 3.708 14.970 1.00 0.00 C ATOM 1345 O TYR A 92 9.636 3.704 15.070 1.00 0.00 O ATOM 1346 CB TYR A 92 11.811 4.342 17.252 1.00 0.00 C ATOM 1347 CG TYR A 92 12.674 5.310 18.045 1.00 0.00 C ATOM 1348 CD1 TYR A 92 14.074 5.269 17.910 1.00 0.00 C ATOM 1349 CD2 TYR A 92 12.079 6.290 18.864 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.881 6.211 18.575 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.883 7.219 19.554 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.285 7.202 19.385 1.00 0.00 C ATOM 1353 OH TYR A 92 15.059 8.172 19.944 1.00 0.00 O ATOM 0 H TYR A 92 10.538 6.289 16.354 1.00 0.00 H new ATOM 0 HA TYR A 92 12.741 4.632 15.368 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.806 4.332 17.673 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.212 3.334 17.361 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.532 4.510 17.293 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.004 6.329 18.963 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.955 6.176 18.466 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.427 7.944 20.212 1.00 0.00 H new ATOM 0 HH TYR A 92 14.495 8.929 20.207 1.00 0.00 H new ATOM 1363 N ILE A 93 11.535 2.908 14.143 1.00 0.00 N ATOM 1364 CA ILE A 93 10.958 2.114 13.064 1.00 0.00 C ATOM 1365 C ILE A 93 11.224 0.643 13.375 1.00 0.00 C ATOM 1366 O ILE A 93 12.317 0.127 13.133 1.00 0.00 O ATOM 1367 CB ILE A 93 11.530 2.576 11.704 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.327 4.088 11.428 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.946 1.716 10.575 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.886 4.611 11.460 1.00 0.00 C ATOM 0 H ILE A 93 12.546 2.791 14.212 1.00 0.00 H new ATOM 0 HA ILE A 93 9.879 2.252 12.991 1.00 0.00 H new ATOM 0 HB ILE A 93 12.610 2.434 11.746 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.908 4.648 12.161 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.748 4.314 10.448 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.352 2.046 9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.209 0.671 10.740 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.861 1.819 10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.883 5.681 11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.294 4.093 10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.456 4.432 12.445 1.00 0.00 H new ATOM 1382 N VAL A 94 10.249 -0.007 14.010 1.00 0.00 N ATOM 1383 CA VAL A 94 10.425 -1.317 14.648 1.00 0.00 C ATOM 1384 C VAL A 94 9.897 -2.420 13.728 1.00 0.00 C ATOM 1385 O VAL A 94 8.928 -2.213 12.997 1.00 0.00 O ATOM 1386 CB VAL A 94 9.756 -1.337 16.038 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.103 -2.620 16.807 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.208 -0.139 16.893 1.00 0.00 C ATOM 0 H VAL A 94 9.303 0.363 14.098 1.00 0.00 H new ATOM 0 HA VAL A 94 11.487 -1.505 14.807 1.00 0.00 H new ATOM 0 HB VAL A 94 8.681 -1.287 15.863 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.616 -2.603 17.782 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.757 -3.487 16.244 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.183 -2.683 16.942 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.719 -0.182 17.866 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.289 -0.176 17.028 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.936 0.790 16.391 1.00 0.00 H new ATOM 1398 N VAL A 95 10.557 -3.583 13.748 1.00 0.00 N ATOM 1399 CA VAL A 95 10.294 -4.728 12.869 1.00 0.00 C ATOM 1400 C VAL A 95 10.373 -6.004 13.712 1.00 0.00 C ATOM 1401 O VAL A 95 11.469 -6.522 13.915 1.00 0.00 O ATOM 1402 CB VAL A 95 11.314 -4.759 11.699 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.041 -5.930 10.742 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.291 -3.470 10.864 1.00 0.00 C ATOM 0 H VAL A 95 11.319 -3.760 14.403 1.00 0.00 H new ATOM 0 HA VAL A 95 9.301 -4.647 12.426 1.00 0.00 H new ATOM 0 HB VAL A 95 12.289 -4.871 12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.774 -5.920 9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.115 -6.871 11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.040 -5.831 10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.023 -3.544 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.297 -3.330 10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.537 -2.620 11.500 1.00 0.00 H new ATOM 1414 N GLY A 96 9.257 -6.524 14.237 1.00 0.00 N ATOM 1415 CA GLY A 96 9.334 -7.778 14.992 1.00 0.00 C ATOM 1416 C GLY A 96 8.135 -8.223 15.822 1.00 0.00 C ATOM 1417 O GLY A 96 7.203 -7.472 16.094 1.00 0.00 O ATOM 0 H GLY A 96 8.326 -6.115 14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.555 -8.575 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.189 -7.704 15.664 1.00 0.00 H new ATOM 1421 N ARG A 97 8.218 -9.487 16.249 1.00 0.00 N ATOM 1422 CA ARG A 97 7.265 -10.223 17.086 1.00 0.00 C ATOM 1423 C ARG A 97 8.035 -11.073 18.101 1.00 0.00 C ATOM 1424 O ARG A 97 8.685 -12.048 17.731 1.00 0.00 O ATOM 1425 CB ARG A 97 6.311 -11.095 16.240 1.00 0.00 C ATOM 1426 CG ARG A 97 7.011 -11.887 15.112 1.00 0.00 C ATOM 1427 CD ARG A 97 6.570 -13.346 14.969 1.00 0.00 C ATOM 1428 NE ARG A 97 6.727 -14.130 16.208 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.757 -14.647 16.947 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.500 -14.679 16.546 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.038 -15.145 18.126 1.00 0.00 N ATOM 0 H ARG A 97 9.018 -10.069 15.998 1.00 0.00 H new ATOM 0 HA ARG A 97 6.642 -9.503 17.617 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.799 -11.797 16.898 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.546 -10.455 15.799 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.832 -11.376 14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.086 -11.865 15.288 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.525 -13.373 14.661 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.149 -13.817 14.174 1.00 0.00 H new ATOM 0 HE ARG A 97 7.682 -14.291 16.529 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.245 -14.296 15.636 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.783 -15.087 17.147 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.999 -15.133 18.469 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.296 -15.545 18.701 1.00 0.00 H new ATOM 1445 N GLY A 98 7.966 -10.681 19.376 1.00 0.00 N ATOM 1446 CA GLY A 98 8.567 -11.374 20.520 1.00 0.00 C ATOM 1447 C GLY A 98 10.019 -11.809 20.299 1.00 0.00 C ATOM 1448 O GLY A 98 10.934 -10.996 20.395 1.00 0.00 O ATOM 0 H GLY A 98 7.468 -9.835 19.652 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.524 -10.719 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.967 -12.254 20.753 1.00 0.00 H new ATOM 1452 N GLU A 99 10.222 -13.099 20.017 1.00 0.00 N ATOM 1453 CA GLU A 99 11.526 -13.737 19.827 1.00 0.00 C ATOM 1454 C GLU A 99 12.262 -13.348 18.533 1.00 0.00 C ATOM 1455 O GLU A 99 13.476 -13.528 18.461 1.00 0.00 O ATOM 1456 CB GLU A 99 11.352 -15.266 19.909 1.00 0.00 C ATOM 1457 CG GLU A 99 10.719 -15.949 18.678 1.00 0.00 C ATOM 1458 CD GLU A 99 9.332 -15.420 18.277 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.509 -15.087 19.163 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.055 -15.330 17.061 1.00 0.00 O ATOM 0 H GLU A 99 9.448 -13.755 19.910 1.00 0.00 H new ATOM 0 HA GLU A 99 12.166 -13.367 20.628 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.331 -15.713 20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.738 -15.494 20.780 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.394 -15.832 17.830 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.639 -17.018 18.876 1.00 0.00 H new ATOM 1467 N GLN A 100 11.559 -12.808 17.528 1.00 0.00 N ATOM 1468 CA GLN A 100 12.147 -12.374 16.256 1.00 0.00 C ATOM 1469 C GLN A 100 11.868 -10.875 16.064 1.00 0.00 C ATOM 1470 O GLN A 100 10.790 -10.483 15.613 1.00 0.00 O ATOM 1471 CB GLN A 100 11.719 -13.309 15.094 1.00 0.00 C ATOM 1472 CG GLN A 100 10.225 -13.262 14.736 1.00 0.00 C ATOM 1473 CD GLN A 100 9.715 -14.412 13.872 1.00 0.00 C ATOM 1474 OE1 GLN A 100 9.390 -14.250 12.702 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.512 -15.580 14.444 1.00 0.00 N ATOM 0 H GLN A 100 10.551 -12.659 17.578 1.00 0.00 H new ATOM 0 HA GLN A 100 13.233 -12.471 16.265 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.298 -13.049 14.207 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.982 -14.334 15.357 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.649 -13.244 15.661 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.024 -12.325 14.217 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.779 -15.724 15.418 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.087 -16.341 13.914 1.00 0.00 H new ATOM 1484 N GLN A 101 12.822 -10.020 16.463 1.00 0.00 N ATOM 1485 CA GLN A 101 12.704 -8.571 16.290 1.00 0.00 C ATOM 1486 C GLN A 101 14.006 -7.878 15.887 1.00 0.00 C ATOM 1487 O GLN A 101 15.105 -8.375 16.119 1.00 0.00 O ATOM 1488 CB GLN A 101 12.049 -7.922 17.532 1.00 0.00 C ATOM 1489 CG GLN A 101 12.934 -7.754 18.786 1.00 0.00 C ATOM 1490 CD GLN A 101 13.922 -6.579 18.750 1.00 0.00 C ATOM 1491 OE1 GLN A 101 15.080 -6.717 19.107 1.00 0.00 O ATOM 1492 NE2 GLN A 101 13.501 -5.388 18.357 1.00 0.00 N ATOM 0 H GLN A 101 13.690 -10.314 16.911 1.00 0.00 H new ATOM 0 HA GLN A 101 12.044 -8.419 15.436 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.679 -6.938 17.244 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.181 -8.520 17.808 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.285 -7.633 19.653 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.498 -8.675 18.936 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.534 -5.262 18.057 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.143 -4.595 18.354 1.00 0.00 H new ATOM 1501 N ILE A 102 13.829 -6.692 15.304 1.00 0.00 N ATOM 1502 CA ILE A 102 14.825 -5.680 14.973 1.00 0.00 C ATOM 1503 C ILE A 102 14.179 -4.292 15.116 1.00 0.00 C ATOM 1504 O ILE A 102 12.954 -4.153 15.195 1.00 0.00 O ATOM 1505 CB ILE A 102 15.400 -5.852 13.535 1.00 0.00 C ATOM 1506 CG1 ILE A 102 14.868 -7.056 12.719 1.00 0.00 C ATOM 1507 CG2 ILE A 102 16.934 -5.887 13.645 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.235 -7.007 11.229 1.00 0.00 C ATOM 0 H ILE A 102 12.895 -6.390 15.027 1.00 0.00 H new ATOM 0 HA ILE A 102 15.663 -5.792 15.661 1.00 0.00 H new ATOM 0 HB ILE A 102 15.048 -4.998 12.956 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.261 -7.977 13.150 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.783 -7.097 12.815 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.367 -6.007 12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.289 -4.955 14.086 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.235 -6.724 14.275 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.827 -7.883 10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.819 -6.105 10.781 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.320 -6.998 11.122 1.00 0.00 H new ATOM 1520 N ASN A 103 15.003 -3.244 15.096 1.00 0.00 N ATOM 1521 CA ASN A 103 14.554 -1.857 15.107 1.00 0.00 C ATOM 1522 C ASN A 103 15.549 -0.957 14.367 1.00 0.00 C ATOM 1523 O ASN A 103 16.754 -1.210 14.361 1.00 0.00 O ATOM 1524 CB ASN A 103 14.295 -1.393 16.561 1.00 0.00 C ATOM 1525 CG ASN A 103 15.254 -1.979 17.591 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.014 -3.041 18.150 1.00 0.00 O ATOM 1527 ND2 ASN A 103 16.357 -1.320 17.877 1.00 0.00 N ATOM 0 H ASN A 103 16.018 -3.340 15.071 1.00 0.00 H new ATOM 0 HA ASN A 103 13.609 -1.780 14.570 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.361 -0.306 16.599 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.276 -1.661 16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.011 -1.694 18.564 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.558 -0.435 17.411 1.00 0.00 H new ATOM 1534 N HIS A 104 15.012 0.103 13.764 1.00 0.00 N ATOM 1535 CA HIS A 104 15.724 1.209 13.136 1.00 0.00 C ATOM 1536 C HIS A 104 15.295 2.526 13.796 1.00 0.00 C ATOM 1537 O HIS A 104 14.285 2.592 14.502 1.00 0.00 O ATOM 1538 CB HIS A 104 15.457 1.207 11.618 1.00 0.00 C ATOM 1539 CG HIS A 104 16.707 1.034 10.795 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.029 -0.067 10.036 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.717 1.945 10.651 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.211 0.178 9.445 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.665 1.396 9.783 1.00 0.00 N ATOM 0 H HIS A 104 14.000 0.217 13.698 1.00 0.00 H new ATOM 0 HA HIS A 104 16.799 1.097 13.277 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.759 0.404 11.380 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.973 2.143 11.340 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.472 -0.916 9.939 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.772 2.915 11.123 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.725 -0.509 8.789 1.00 0.00 H new ATOM 1551 N HIS A 105 16.079 3.586 13.591 1.00 0.00 N ATOM 1552 CA HIS A 105 16.043 4.775 14.440 1.00 0.00 C ATOM 1553 C HIS A 105 16.132 6.038 13.579 1.00 0.00 C ATOM 1554 O HIS A 105 17.003 6.130 12.712 1.00 0.00 O ATOM 1555 CB HIS A 105 17.198 4.693 15.463 1.00 0.00 C ATOM 1556 CG HIS A 105 17.482 3.302 16.003 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.624 2.571 15.755 1.00 0.00 N ATOM 1558 CD2 HIS A 105 16.627 2.492 16.707 1.00 0.00 C ATOM 1559 CE1 HIS A 105 18.456 1.350 16.292 1.00 0.00 C ATOM 1560 NE2 HIS A 105 17.254 1.254 16.881 1.00 0.00 N ATOM 0 H HIS A 105 16.757 3.643 12.831 1.00 0.00 H new ATOM 0 HA HIS A 105 15.101 4.822 14.986 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.105 5.077 14.995 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.968 5.351 16.301 1.00 0.00 H new ATOM 0 HD1 HIS A 105 19.450 2.898 15.253 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.644 2.762 17.064 1.00 0.00 H new ATOM 0 HE1 HIS A 105 19.187 0.556 16.255 1.00 0.00 H new ATOM 1568 N TRP A 106 15.233 7.001 13.808 1.00 0.00 N ATOM 1569 CA TRP A 106 15.242 8.309 13.157 1.00 0.00 C ATOM 1570 C TRP A 106 14.731 9.411 14.095 1.00 0.00 C ATOM 1571 O TRP A 106 14.139 9.139 15.141 1.00 0.00 O ATOM 1572 CB TRP A 106 14.438 8.252 11.847 1.00 0.00 C ATOM 1573 CG TRP A 106 15.150 8.848 10.677 1.00 0.00 C ATOM 1574 CD1 TRP A 106 16.063 8.190 9.932 1.00 0.00 C ATOM 1575 CD2 TRP A 106 15.052 10.189 10.103 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.501 9.009 8.912 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.956 10.270 9.001 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.293 11.344 10.394 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 16.123 11.441 8.246 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.453 12.526 9.645 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.375 12.582 8.584 1.00 0.00 C ATOM 0 H TRP A 106 14.463 6.887 14.467 1.00 0.00 H new ATOM 0 HA TRP A 106 16.273 8.565 12.912 1.00 0.00 H new ATOM 0 HB2 TRP A 106 14.198 7.212 11.624 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.492 8.774 11.989 1.00 0.00 H new ATOM 0 HD1 TRP A 106 16.399 7.179 10.107 1.00 0.00 H new ATOM 0 HE1 TRP A 106 17.149 8.716 8.181 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.579 11.320 11.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.816 11.465 7.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.863 13.397 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.508 13.500 8.030 1.00 0.00 H new ATOM 1592 N HIS A 107 14.975 10.668 13.708 1.00 0.00 N ATOM 1593 CA HIS A 107 14.952 11.837 14.590 1.00 0.00 C ATOM 1594 C HIS A 107 14.391 13.045 13.823 1.00 0.00 C ATOM 1595 O HIS A 107 14.984 13.441 12.817 1.00 0.00 O ATOM 1596 CB HIS A 107 16.397 12.076 15.062 1.00 0.00 C ATOM 1597 CG HIS A 107 16.993 10.904 15.812 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.455 10.304 16.925 1.00 0.00 N ATOM 1599 CD2 HIS A 107 18.113 10.195 15.468 1.00 0.00 C ATOM 1600 CE1 HIS A 107 17.234 9.261 17.254 1.00 0.00 C ATOM 1601 NE2 HIS A 107 18.256 9.153 16.389 1.00 0.00 N ATOM 0 H HIS A 107 15.201 10.906 12.742 1.00 0.00 H new ATOM 0 HA HIS A 107 14.309 11.681 15.456 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.021 12.297 14.196 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.419 12.956 15.704 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.611 10.599 17.416 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.768 10.403 14.635 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.063 8.603 18.094 1.00 0.00 H new ATOM 1609 N LYS A 108 13.239 13.600 14.237 1.00 0.00 N ATOM 1610 CA LYS A 108 12.430 14.529 13.430 1.00 0.00 C ATOM 1611 C LYS A 108 11.741 15.631 14.256 1.00 0.00 C ATOM 1612 O LYS A 108 10.551 15.549 14.576 1.00 0.00 O ATOM 1613 CB LYS A 108 11.435 13.712 12.578 1.00 0.00 C ATOM 1614 CG LYS A 108 10.632 14.595 11.604 1.00 0.00 C ATOM 1615 CD LYS A 108 10.116 13.801 10.397 1.00 0.00 C ATOM 1616 CE LYS A 108 9.340 14.733 9.456 1.00 0.00 C ATOM 1617 NZ LYS A 108 9.310 14.211 8.070 1.00 0.00 N ATOM 0 H LYS A 108 12.838 13.413 15.156 1.00 0.00 H new ATOM 0 HA LYS A 108 13.102 15.079 12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.980 12.956 12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.746 13.183 13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.789 15.041 12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.261 15.415 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.952 13.346 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.471 12.989 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.320 14.853 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.799 15.722 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.526 14.654 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.209 14.432 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.174 13.180 8.090 1.00 0.00 H new ATOM 1631 N SER A 109 12.449 16.744 14.472 1.00 0.00 N ATOM 1632 CA SER A 109 11.942 18.005 15.038 1.00 0.00 C ATOM 1633 C SER A 109 11.349 17.858 16.448 1.00 0.00 C ATOM 1634 O SER A 109 10.142 17.700 16.628 1.00 0.00 O ATOM 1635 CB SER A 109 11.009 18.732 14.053 1.00 0.00 C ATOM 1636 OG SER A 109 9.896 17.944 13.676 1.00 0.00 O ATOM 0 H SER A 109 13.442 16.796 14.246 1.00 0.00 H new ATOM 0 HA SER A 109 12.810 18.648 15.181 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.657 19.658 14.508 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.572 19.009 13.162 1.00 0.00 H new ATOM 0 HG SER A 109 9.837 17.160 14.261 1.00 0.00 H new ATOM 1642 N GLY A 110 12.231 17.912 17.450 1.00 0.00 N ATOM 1643 CA GLY A 110 11.929 17.704 18.869 1.00 0.00 C ATOM 1644 C GLY A 110 12.476 16.375 19.403 1.00 0.00 C ATOM 1645 O GLY A 110 11.916 15.822 20.345 1.00 0.00 O ATOM 0 H GLY A 110 13.218 18.111 17.287 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.350 18.525 19.450 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.849 17.732 19.014 1.00 0.00 H new ATOM 1649 N SER A 111 13.511 15.831 18.756 1.00 0.00 N ATOM 1650 CA SER A 111 14.117 14.531 19.042 1.00 0.00 C ATOM 1651 C SER A 111 14.646 14.391 20.473 1.00 0.00 C ATOM 1652 O SER A 111 14.979 15.380 21.125 1.00 0.00 O ATOM 1653 CB SER A 111 15.249 14.343 18.026 1.00 0.00 C ATOM 1654 OG SER A 111 15.951 13.145 18.260 1.00 0.00 O ATOM 0 H SER A 111 13.970 16.310 17.981 1.00 0.00 H new ATOM 0 HA SER A 111 13.352 13.760 18.956 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.837 14.335 17.017 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.936 15.187 18.083 1.00 0.00 H new ATOM 0 HG SER A 111 15.334 12.466 18.605 1.00 0.00 H new ATOM 1660 N SER A 112 14.882 13.145 20.905 1.00 0.00 N ATOM 1661 CA SER A 112 15.692 12.818 22.088 1.00 0.00 C ATOM 1662 C SER A 112 17.123 13.392 22.035 1.00 0.00 C ATOM 1663 O SER A 112 17.781 13.462 23.069 1.00 0.00 O ATOM 1664 CB SER A 112 15.754 11.297 22.283 1.00 0.00 C ATOM 1665 OG SER A 112 14.460 10.728 22.303 1.00 0.00 O ATOM 0 H SER A 112 14.509 12.321 20.434 1.00 0.00 H new ATOM 0 HA SER A 112 15.195 13.290 22.936 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.338 10.849 21.479 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.268 11.069 23.216 1.00 0.00 H new ATOM 0 HG SER A 112 14.301 10.246 21.464 1.00 0.00 H new ATOM 1671 N ILE A 113 17.594 13.836 20.856 1.00 0.00 N ATOM 1672 CA ILE A 113 18.863 14.558 20.641 1.00 0.00 C ATOM 1673 C ILE A 113 18.616 16.022 20.179 1.00 0.00 C ATOM 1674 O ILE A 113 19.549 16.784 19.941 1.00 0.00 O ATOM 1675 CB ILE A 113 19.793 13.699 19.731 1.00 0.00 C ATOM 1676 CG1 ILE A 113 20.181 12.371 20.439 1.00 0.00 C ATOM 1677 CG2 ILE A 113 21.105 14.403 19.330 1.00 0.00 C ATOM 1678 CD1 ILE A 113 19.307 11.173 20.049 1.00 0.00 C ATOM 0 H ILE A 113 17.078 13.696 19.987 1.00 0.00 H new ATOM 0 HA ILE A 113 19.402 14.684 21.580 1.00 0.00 H new ATOM 0 HB ILE A 113 19.209 13.522 18.828 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.221 12.139 20.207 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.119 12.516 21.518 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.695 13.740 18.698 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.875 15.317 18.782 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.673 14.651 20.226 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.644 10.287 20.587 1.00 0.00 H new ATOM 0 HD12 ILE A 113 18.269 11.381 20.307 1.00 0.00 H new ATOM 0 HD13 ILE A 113 19.387 10.998 18.976 1.00 0.00 H new ATOM 1690 N GLY A 114 17.354 16.465 20.101 1.00 0.00 N ATOM 1691 CA GLY A 114 16.950 17.860 19.890 1.00 0.00 C ATOM 1692 C GLY A 114 16.755 18.293 18.433 1.00 0.00 C ATOM 1693 O GLY A 114 16.205 19.371 18.209 1.00 0.00 O ATOM 0 H GLY A 114 16.556 15.836 20.187 1.00 0.00 H new ATOM 0 HA2 GLY A 114 16.017 18.032 20.427 1.00 0.00 H new ATOM 0 HA3 GLY A 114 17.702 18.507 20.342 1.00 0.00 H new ATOM 1697 N LYS A 115 17.179 17.480 17.452 1.00 0.00 N ATOM 1698 CA LYS A 115 16.884 17.693 16.024 1.00 0.00 C ATOM 1699 C LYS A 115 15.478 17.211 15.619 1.00 0.00 C ATOM 1700 O LYS A 115 14.626 17.052 16.518 1.00 0.00 O ATOM 1701 CB LYS A 115 18.010 17.108 15.152 1.00 0.00 C ATOM 1702 CG LYS A 115 17.998 15.569 15.032 1.00 0.00 C ATOM 1703 CD LYS A 115 18.601 15.058 13.711 1.00 0.00 C ATOM 1704 CE LYS A 115 17.977 15.640 12.427 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.494 15.652 12.437 1.00 0.00 N ATOM 0 H LYS A 115 17.742 16.648 17.629 1.00 0.00 H new ATOM 0 HA LYS A 115 16.860 18.768 15.845 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.938 17.538 14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.970 17.419 15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.554 15.142 15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.971 15.213 15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.668 15.281 13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.502 13.973 13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.339 16.659 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.321 15.059 11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.141 15.759 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.142 14.758 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.157 16.447 13.017 1.00 0.00 H new