USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 770 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 34 HIS : no HD1:sc= -0.336 X(o=-7.1,f=-7.6) USER MOD Set 1.2: A 39 MET CE :methyl -178:sc= -3.01 (180deg=-1.15) USER MOD Set 1.3: B 34 HIS : no HD1:sc= -1.05 K(o=-7.1,f=-6.6) USER MOD Set 1.4: B 39 MET CE :methyl 172:sc= -2.68 (180deg=-2.23!) USER MOD Set 2.1: B 24 GLN : amide:sc= 0.392 K(o=0.81,f=-4.8) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -139:sc= 0.419 (180deg=-1.14) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00748 USER MOD Single : A 5 SER OG : rot 180:sc= -0.143 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 11 SER OG : rot 63:sc= 1.26 USER MOD Single : A 17 MET CE :methyl -107:sc= 0 (180deg=-0.962) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -20:sc= 0.425 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= -0.003 (180deg=-0.0127) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 36 ASN : amide:sc= -0.78 K(o=-0.78,f=-8.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.79 K(o=0.79,f=-0.0048) USER MOD Single : A 48 SER OG : rot 180:sc= 0.122 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0112 USER MOD Single : B 3 SER OG : rot 180:sc= 0.218 USER MOD Single : B 5 SER OG : rot 180:sc= -0.153 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 74:sc= 1.32 USER MOD Single : B 17 MET CE :methyl 144:sc= -0.434 (180deg=-0.834) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.052) USER MOD Single : B 21 TYR OH : rot -38:sc= 1.29 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : B 35 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : B 36 ASN : amide:sc= 0.258 K(o=0.26,f=-8.7!) USER MOD Single : B 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0182) USER MOD Single : B 42 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.2) USER MOD Single : B 48 SER OG : rot -158:sc= 1.29 USER MOD Single : B 51 SER OG : rot 180:sc= 0.0243 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.982 9.496 -2.536 1.00 0.00 N ATOM 2 CA GLY A 1 -27.804 10.651 -2.143 1.00 0.00 C ATOM 3 C GLY A 1 -28.966 10.824 -3.102 1.00 0.00 C ATOM 4 O GLY A 1 -28.779 10.678 -4.306 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.976 9.754 -2.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.166 8.703 -1.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.223 9.213 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.179 10.510 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.193 11.554 -2.135 1.00 0.00 H new ATOM 8 N SER A 2 -30.145 11.174 -2.585 1.00 0.00 N ATOM 9 CA SER A 2 -31.399 11.388 -3.310 1.00 0.00 C ATOM 10 C SER A 2 -31.203 11.987 -4.708 1.00 0.00 C ATOM 11 O SER A 2 -31.478 11.318 -5.701 1.00 0.00 O ATOM 12 CB SER A 2 -32.332 12.241 -2.435 1.00 0.00 C ATOM 13 OG SER A 2 -31.630 13.342 -1.870 1.00 0.00 O ATOM 0 H SER A 2 -30.257 11.326 -1.583 1.00 0.00 H new ATOM 0 HA SER A 2 -31.858 10.417 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.167 12.605 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.754 11.627 -1.640 1.00 0.00 H new ATOM 0 HG SER A 2 -32.242 13.872 -1.319 1.00 0.00 H new ATOM 19 N SER A 3 -30.680 13.211 -4.780 1.00 0.00 N ATOM 20 CA SER A 3 -30.434 13.926 -6.026 1.00 0.00 C ATOM 21 C SER A 3 -28.961 13.850 -6.471 1.00 0.00 C ATOM 22 O SER A 3 -28.646 13.974 -7.658 1.00 0.00 O ATOM 23 CB SER A 3 -30.884 15.372 -5.779 1.00 0.00 C ATOM 24 OG SER A 3 -30.134 15.940 -4.714 1.00 0.00 O ATOM 0 H SER A 3 -30.410 13.743 -3.952 1.00 0.00 H new ATOM 0 HA SER A 3 -30.991 13.472 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.749 15.963 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.947 15.395 -5.539 1.00 0.00 H new ATOM 0 HG SER A 3 -30.426 16.863 -4.564 1.00 0.00 H new ATOM 30 N GLY A 4 -28.047 13.607 -5.530 1.00 0.00 N ATOM 31 CA GLY A 4 -26.614 13.525 -5.753 1.00 0.00 C ATOM 32 C GLY A 4 -25.937 14.281 -4.629 1.00 0.00 C ATOM 33 O GLY A 4 -26.095 15.498 -4.510 1.00 0.00 O ATOM 0 H GLY A 4 -28.302 13.457 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.287 12.485 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.351 13.956 -6.719 1.00 0.00 H new ATOM 37 N SER A 5 -25.239 13.584 -3.739 1.00 0.00 N ATOM 38 CA SER A 5 -24.555 14.208 -2.613 1.00 0.00 C ATOM 39 C SER A 5 -23.306 13.382 -2.305 1.00 0.00 C ATOM 40 O SER A 5 -23.207 12.728 -1.265 1.00 0.00 O ATOM 41 CB SER A 5 -25.538 14.346 -1.437 1.00 0.00 C ATOM 42 OG SER A 5 -26.708 15.038 -1.866 1.00 0.00 O ATOM 0 H SER A 5 -25.132 12.570 -3.778 1.00 0.00 H new ATOM 0 HA SER A 5 -24.220 15.221 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.806 13.360 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.065 14.886 -0.617 1.00 0.00 H new ATOM 0 HG SER A 5 -27.332 15.122 -1.115 1.00 0.00 H new ATOM 48 N SER A 6 -22.393 13.347 -3.276 1.00 0.00 N ATOM 49 CA SER A 6 -21.136 12.622 -3.189 1.00 0.00 C ATOM 50 C SER A 6 -20.254 13.241 -2.096 1.00 0.00 C ATOM 51 O SER A 6 -20.532 14.333 -1.590 1.00 0.00 O ATOM 52 CB SER A 6 -20.450 12.707 -4.561 1.00 0.00 C ATOM 53 OG SER A 6 -19.600 11.609 -4.822 1.00 0.00 O ATOM 0 H SER A 6 -22.515 13.835 -4.163 1.00 0.00 H new ATOM 0 HA SER A 6 -21.307 11.578 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.211 12.763 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.871 13.629 -4.615 1.00 0.00 H new ATOM 0 HG SER A 6 -19.192 11.714 -5.707 1.00 0.00 H new ATOM 59 N GLY A 7 -19.167 12.551 -1.751 1.00 0.00 N ATOM 60 CA GLY A 7 -18.205 12.983 -0.750 1.00 0.00 C ATOM 61 C GLY A 7 -18.054 12.005 0.405 1.00 0.00 C ATOM 62 O GLY A 7 -17.081 12.115 1.158 1.00 0.00 O ATOM 0 H GLY A 7 -18.929 11.654 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.235 13.124 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.511 13.953 -0.357 1.00 0.00 H new ATOM 66 N GLN A 8 -19.011 11.098 0.610 1.00 0.00 N ATOM 67 CA GLN A 8 -18.920 10.123 1.684 1.00 0.00 C ATOM 68 C GLN A 8 -18.034 8.985 1.205 1.00 0.00 C ATOM 69 O GLN A 8 -18.101 8.579 0.046 1.00 0.00 O ATOM 70 CB GLN A 8 -20.303 9.607 2.087 1.00 0.00 C ATOM 71 CG GLN A 8 -21.110 10.739 2.725 1.00 0.00 C ATOM 72 CD GLN A 8 -22.370 10.211 3.387 1.00 0.00 C ATOM 73 OE1 GLN A 8 -23.356 9.926 2.711 1.00 0.00 O ATOM 74 NE2 GLN A 8 -22.359 10.065 4.701 1.00 0.00 N ATOM 0 H GLN A 8 -19.856 11.023 0.043 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.490 10.589 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.827 9.222 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.203 8.779 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.497 11.254 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.376 11.473 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.525 10.310 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -23.185 9.707 5.181 1.00 0.00 H new ATOM 83 N LEU A 9 -17.177 8.484 2.090 1.00 0.00 N ATOM 84 CA LEU A 9 -16.282 7.386 1.763 1.00 0.00 C ATOM 85 C LEU A 9 -16.875 6.044 2.186 1.00 0.00 C ATOM 86 O LEU A 9 -16.436 5.006 1.691 1.00 0.00 O ATOM 87 CB LEU A 9 -14.893 7.623 2.373 1.00 0.00 C ATOM 88 CG LEU A 9 -13.842 7.791 1.266 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.941 9.185 0.641 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.428 7.567 1.801 1.00 0.00 C ATOM 0 H LEU A 9 -17.086 8.827 3.046 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.162 7.349 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.913 8.513 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.623 6.784 3.015 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.045 7.038 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.189 9.287 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.933 9.321 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.771 9.941 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.709 7.693 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.218 8.290 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.347 6.557 2.204 1.00 0.00 H new ATOM 102 N SER A 10 -17.880 6.052 3.062 1.00 0.00 N ATOM 103 CA SER A 10 -18.561 4.871 3.571 1.00 0.00 C ATOM 104 C SER A 10 -19.155 4.057 2.418 1.00 0.00 C ATOM 105 O SER A 10 -18.951 2.847 2.333 1.00 0.00 O ATOM 106 CB SER A 10 -19.647 5.312 4.566 1.00 0.00 C ATOM 107 OG SER A 10 -19.211 6.420 5.343 1.00 0.00 O ATOM 0 H SER A 10 -18.254 6.919 3.449 1.00 0.00 H new ATOM 0 HA SER A 10 -17.850 4.227 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.554 5.579 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.901 4.481 5.223 1.00 0.00 H new ATOM 0 HG SER A 10 -19.920 6.682 5.966 1.00 0.00 H new ATOM 113 N SER A 11 -19.830 4.736 1.486 1.00 0.00 N ATOM 114 CA SER A 11 -20.456 4.132 0.324 1.00 0.00 C ATOM 115 C SER A 11 -19.452 3.380 -0.552 1.00 0.00 C ATOM 116 O SER A 11 -19.775 2.354 -1.154 1.00 0.00 O ATOM 117 CB SER A 11 -21.148 5.253 -0.473 1.00 0.00 C ATOM 118 OG SER A 11 -20.300 6.382 -0.659 1.00 0.00 O ATOM 0 H SER A 11 -19.955 5.747 1.527 1.00 0.00 H new ATOM 0 HA SER A 11 -21.182 3.389 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.457 4.868 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.053 5.563 0.049 1.00 0.00 H new ATOM 0 HG SER A 11 -19.520 6.121 -1.192 1.00 0.00 H new ATOM 124 N GLU A 12 -18.218 3.868 -0.606 1.00 0.00 N ATOM 125 CA GLU A 12 -17.167 3.283 -1.410 1.00 0.00 C ATOM 126 C GLU A 12 -16.696 1.950 -0.808 1.00 0.00 C ATOM 127 O GLU A 12 -16.249 1.077 -1.551 1.00 0.00 O ATOM 128 CB GLU A 12 -16.035 4.305 -1.591 1.00 0.00 C ATOM 129 CG GLU A 12 -16.462 5.778 -1.794 1.00 0.00 C ATOM 130 CD GLU A 12 -17.456 6.014 -2.938 1.00 0.00 C ATOM 131 OE1 GLU A 12 -18.685 5.957 -2.699 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.009 6.283 -4.080 1.00 0.00 O ATOM 0 H GLU A 12 -17.922 4.692 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.547 3.041 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.387 4.255 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.436 4.002 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.905 6.143 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.570 6.377 -1.979 1.00 0.00 H new ATOM 139 N ILE A 13 -16.800 1.770 0.518 1.00 0.00 N ATOM 140 CA ILE A 13 -16.407 0.530 1.195 1.00 0.00 C ATOM 141 C ILE A 13 -17.348 -0.559 0.691 1.00 0.00 C ATOM 142 O ILE A 13 -16.908 -1.633 0.293 1.00 0.00 O ATOM 143 CB ILE A 13 -16.482 0.650 2.743 1.00 0.00 C ATOM 144 CG1 ILE A 13 -15.535 1.752 3.255 1.00 0.00 C ATOM 145 CG2 ILE A 13 -16.178 -0.700 3.429 1.00 0.00 C ATOM 146 CD1 ILE A 13 -15.733 2.121 4.731 1.00 0.00 C ATOM 0 H ILE A 13 -17.161 2.484 1.150 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.367 0.297 0.968 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.503 0.930 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.505 1.426 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.675 2.646 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.239 -0.580 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.905 -1.445 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.175 -1.029 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.027 2.903 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.751 2.481 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.563 1.242 5.352 1.00 0.00 H new ATOM 158 N GLU A 14 -18.648 -0.270 0.684 1.00 0.00 N ATOM 159 CA GLU A 14 -19.678 -1.196 0.242 1.00 0.00 C ATOM 160 C GLU A 14 -19.486 -1.556 -1.233 1.00 0.00 C ATOM 161 O GLU A 14 -19.739 -2.700 -1.618 1.00 0.00 O ATOM 162 CB GLU A 14 -21.053 -0.581 0.499 1.00 0.00 C ATOM 163 CG GLU A 14 -21.299 -0.305 1.989 1.00 0.00 C ATOM 164 CD GLU A 14 -22.574 0.510 2.146 1.00 0.00 C ATOM 165 OE1 GLU A 14 -23.668 -0.074 1.994 1.00 0.00 O ATOM 166 OE2 GLU A 14 -22.461 1.742 2.345 1.00 0.00 O ATOM 0 H GLU A 14 -19.017 0.630 0.991 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.602 -2.124 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -21.142 0.350 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.825 -1.253 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.385 -1.244 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.454 0.235 2.415 1.00 0.00 H new ATOM 173 N ARG A 15 -19.031 -0.616 -2.080 1.00 0.00 N ATOM 174 CA ARG A 15 -18.822 -0.967 -3.485 1.00 0.00 C ATOM 175 C ARG A 15 -17.696 -1.994 -3.569 1.00 0.00 C ATOM 176 O ARG A 15 -17.756 -2.881 -4.418 1.00 0.00 O ATOM 177 CB ARG A 15 -18.590 0.255 -4.387 1.00 0.00 C ATOM 178 CG ARG A 15 -19.900 1.034 -4.631 1.00 0.00 C ATOM 179 CD ARG A 15 -19.878 1.902 -5.901 1.00 0.00 C ATOM 180 NE ARG A 15 -19.730 1.106 -7.135 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.670 0.407 -7.789 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.941 0.416 -7.409 1.00 0.00 N ATOM 183 NH2 ARG A 15 -20.322 -0.319 -8.841 1.00 0.00 N ATOM 0 H ARG A 15 -18.811 0.348 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.737 -1.412 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.854 0.914 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.175 -0.069 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.726 0.326 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.099 1.672 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.800 2.481 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.057 2.616 -5.834 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.795 1.085 -7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.227 0.965 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.632 -0.126 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.349 -0.342 -9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.027 -0.855 -9.347 1.00 0.00 H new ATOM 197 N LEU A 16 -16.682 -1.909 -2.704 1.00 0.00 N ATOM 198 CA LEU A 16 -15.585 -2.868 -2.699 1.00 0.00 C ATOM 199 C LEU A 16 -16.068 -4.187 -2.098 1.00 0.00 C ATOM 200 O LEU A 16 -15.667 -5.240 -2.588 1.00 0.00 O ATOM 201 CB LEU A 16 -14.373 -2.294 -1.957 1.00 0.00 C ATOM 202 CG LEU A 16 -13.701 -1.184 -2.785 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.875 -0.289 -1.862 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.826 -1.776 -3.900 1.00 0.00 C ATOM 0 H LEU A 16 -16.602 -1.179 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.260 -3.066 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.687 -1.895 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.655 -3.089 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.476 -0.585 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.399 0.497 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.526 0.161 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.110 -0.886 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.364 -0.968 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.049 -2.400 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.443 -2.380 -4.565 1.00 0.00 H new ATOM 216 N MET A 17 -16.953 -4.161 -1.094 1.00 0.00 N ATOM 217 CA MET A 17 -17.488 -5.378 -0.483 1.00 0.00 C ATOM 218 C MET A 17 -18.153 -6.228 -1.566 1.00 0.00 C ATOM 219 O MET A 17 -17.926 -7.437 -1.599 1.00 0.00 O ATOM 220 CB MET A 17 -18.511 -5.062 0.615 1.00 0.00 C ATOM 221 CG MET A 17 -17.872 -4.481 1.872 1.00 0.00 C ATOM 222 SD MET A 17 -19.105 -3.843 3.034 1.00 0.00 S ATOM 223 CE MET A 17 -18.082 -3.825 4.518 1.00 0.00 C ATOM 0 H MET A 17 -17.315 -3.299 -0.686 1.00 0.00 H new ATOM 0 HA MET A 17 -16.661 -5.919 -0.023 1.00 0.00 H new ATOM 0 HB2 MET A 17 -19.246 -4.356 0.228 1.00 0.00 H new ATOM 0 HB3 MET A 17 -19.050 -5.973 0.875 1.00 0.00 H new ATOM 0 HG2 MET A 17 -17.276 -5.250 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.189 -3.679 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.389 -4.633 5.181 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.037 -3.960 4.241 1.00 0.00 H new ATOM 0 HE3 MET A 17 -18.201 -2.870 5.030 1.00 0.00 H new ATOM 233 N SER A 18 -18.899 -5.580 -2.471 1.00 0.00 N ATOM 234 CA SER A 18 -19.607 -6.191 -3.592 1.00 0.00 C ATOM 235 C SER A 18 -18.652 -7.017 -4.470 1.00 0.00 C ATOM 236 O SER A 18 -19.037 -8.060 -5.001 1.00 0.00 O ATOM 237 CB SER A 18 -20.269 -5.057 -4.398 1.00 0.00 C ATOM 238 OG SER A 18 -21.327 -5.492 -5.229 1.00 0.00 O ATOM 0 H SER A 18 -19.028 -4.569 -2.435 1.00 0.00 H new ATOM 0 HA SER A 18 -20.365 -6.883 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.648 -4.305 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.512 -4.571 -5.013 1.00 0.00 H new ATOM 0 HG SER A 18 -21.703 -4.725 -5.709 1.00 0.00 H new ATOM 244 N GLN A 19 -17.400 -6.576 -4.630 1.00 0.00 N ATOM 245 CA GLN A 19 -16.396 -7.270 -5.434 1.00 0.00 C ATOM 246 C GLN A 19 -15.936 -8.581 -4.796 1.00 0.00 C ATOM 247 O GLN A 19 -15.415 -9.434 -5.511 1.00 0.00 O ATOM 248 CB GLN A 19 -15.132 -6.409 -5.579 1.00 0.00 C ATOM 249 CG GLN A 19 -15.353 -5.011 -6.156 1.00 0.00 C ATOM 250 CD GLN A 19 -15.585 -5.050 -7.659 1.00 0.00 C ATOM 251 OE1 GLN A 19 -14.642 -4.938 -8.439 1.00 0.00 O ATOM 252 NE2 GLN A 19 -16.819 -5.189 -8.101 1.00 0.00 N ATOM 0 H GLN A 19 -17.054 -5.718 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.876 -7.465 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.666 -6.309 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.423 -6.939 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.210 -4.548 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.486 -4.387 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.590 -5.281 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.003 -5.205 -9.104 1.00 0.00 H new ATOM 261 N GLY A 20 -16.094 -8.718 -3.478 1.00 0.00 N ATOM 262 CA GLY A 20 -15.679 -9.880 -2.704 1.00 0.00 C ATOM 263 C GLY A 20 -14.505 -9.524 -1.781 1.00 0.00 C ATOM 264 O GLY A 20 -13.833 -10.426 -1.288 1.00 0.00 O ATOM 0 H GLY A 20 -16.530 -7.996 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.517 -10.246 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.388 -10.687 -3.377 1.00 0.00 H new ATOM 268 N TYR A 21 -14.196 -8.232 -1.597 1.00 0.00 N ATOM 269 CA TYR A 21 -13.110 -7.798 -0.725 1.00 0.00 C ATOM 270 C TYR A 21 -13.590 -7.844 0.724 1.00 0.00 C ATOM 271 O TYR A 21 -14.729 -7.456 1.014 1.00 0.00 O ATOM 272 CB TYR A 21 -12.685 -6.360 -1.049 1.00 0.00 C ATOM 273 CG TYR A 21 -11.788 -6.215 -2.257 1.00 0.00 C ATOM 274 CD1 TYR A 21 -10.492 -6.751 -2.205 1.00 0.00 C ATOM 275 CD2 TYR A 21 -12.206 -5.503 -3.398 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.618 -6.583 -3.286 1.00 0.00 C ATOM 277 CE2 TYR A 21 -11.336 -5.341 -4.493 1.00 0.00 C ATOM 278 CZ TYR A 21 -10.030 -5.875 -4.436 1.00 0.00 C ATOM 279 OH TYR A 21 -9.152 -5.669 -5.457 1.00 0.00 O ATOM 0 H TYR A 21 -14.694 -7.466 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.259 -8.462 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -13.581 -5.759 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -12.171 -5.945 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.168 -7.294 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.199 -5.079 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.622 -6.998 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.666 -4.810 -5.374 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.235 -5.774 -5.126 1.00 0.00 H new ATOM 289 N SER A 22 -12.730 -8.283 1.639 1.00 0.00 N ATOM 290 CA SER A 22 -13.055 -8.358 3.059 1.00 0.00 C ATOM 291 C SER A 22 -13.065 -6.951 3.670 1.00 0.00 C ATOM 292 O SER A 22 -12.236 -6.103 3.326 1.00 0.00 O ATOM 293 CB SER A 22 -12.035 -9.263 3.763 1.00 0.00 C ATOM 294 OG SER A 22 -11.946 -10.509 3.095 1.00 0.00 O ATOM 0 H SER A 22 -11.786 -8.597 1.415 1.00 0.00 H new ATOM 0 HA SER A 22 -14.049 -8.786 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.058 -8.780 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.330 -9.418 4.801 1.00 0.00 H new ATOM 0 HG SER A 22 -11.291 -11.078 3.551 1.00 0.00 H new ATOM 300 N TYR A 23 -13.983 -6.697 4.610 1.00 0.00 N ATOM 301 CA TYR A 23 -14.122 -5.407 5.285 1.00 0.00 C ATOM 302 C TYR A 23 -12.803 -4.954 5.912 1.00 0.00 C ATOM 303 O TYR A 23 -12.395 -3.804 5.714 1.00 0.00 O ATOM 304 CB TYR A 23 -15.215 -5.499 6.357 1.00 0.00 C ATOM 305 CG TYR A 23 -15.290 -4.284 7.260 1.00 0.00 C ATOM 306 CD1 TYR A 23 -15.535 -3.011 6.714 1.00 0.00 C ATOM 307 CD2 TYR A 23 -15.077 -4.417 8.645 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.601 -1.879 7.539 1.00 0.00 C ATOM 309 CE2 TYR A 23 -15.115 -3.283 9.474 1.00 0.00 C ATOM 310 CZ TYR A 23 -15.386 -2.007 8.930 1.00 0.00 C ATOM 311 OH TYR A 23 -15.427 -0.920 9.747 1.00 0.00 O ATOM 0 H TYR A 23 -14.658 -7.393 4.926 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.404 -4.664 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.179 -5.637 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.038 -6.384 6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.674 -2.904 5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.884 -5.391 9.071 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.816 -0.911 7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.936 -3.387 10.534 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.257 -1.199 10.671 1.00 0.00 H new ATOM 321 N GLN A 24 -12.143 -5.863 6.636 1.00 0.00 N ATOM 322 CA GLN A 24 -10.880 -5.616 7.309 1.00 0.00 C ATOM 323 C GLN A 24 -9.808 -5.101 6.356 1.00 0.00 C ATOM 324 O GLN A 24 -9.146 -4.108 6.666 1.00 0.00 O ATOM 325 CB GLN A 24 -10.411 -6.908 7.988 1.00 0.00 C ATOM 326 CG GLN A 24 -11.029 -7.068 9.374 1.00 0.00 C ATOM 327 CD GLN A 24 -10.681 -8.422 9.976 1.00 0.00 C ATOM 328 OE1 GLN A 24 -9.631 -8.595 10.597 1.00 0.00 O ATOM 329 NE2 GLN A 24 -11.546 -9.403 9.799 1.00 0.00 N ATOM 0 H GLN A 24 -12.488 -6.814 6.769 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.041 -4.837 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.679 -7.764 7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.324 -6.902 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.672 -6.273 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.112 -6.964 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.409 -9.235 9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.352 -10.329 10.180 1.00 0.00 H new ATOM 338 N ASP A 25 -9.656 -5.757 5.210 1.00 0.00 N ATOM 339 CA ASP A 25 -8.673 -5.404 4.189 1.00 0.00 C ATOM 340 C ASP A 25 -8.941 -3.980 3.727 1.00 0.00 C ATOM 341 O ASP A 25 -8.036 -3.148 3.714 1.00 0.00 O ATOM 342 CB ASP A 25 -8.731 -6.358 2.980 1.00 0.00 C ATOM 343 CG ASP A 25 -8.382 -7.816 3.275 1.00 0.00 C ATOM 344 OD1 ASP A 25 -8.182 -8.175 4.458 1.00 0.00 O ATOM 345 OD2 ASP A 25 -8.401 -8.620 2.316 1.00 0.00 O ATOM 0 H ASP A 25 -10.224 -6.566 4.959 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.678 -5.489 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.735 -6.321 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.050 -5.987 2.214 1.00 0.00 H new ATOM 350 N ILE A 26 -10.196 -3.676 3.376 1.00 0.00 N ATOM 351 CA ILE A 26 -10.580 -2.347 2.914 1.00 0.00 C ATOM 352 C ILE A 26 -10.199 -1.308 3.986 1.00 0.00 C ATOM 353 O ILE A 26 -9.604 -0.285 3.652 1.00 0.00 O ATOM 354 CB ILE A 26 -12.069 -2.312 2.497 1.00 0.00 C ATOM 355 CG1 ILE A 26 -12.456 -3.355 1.421 1.00 0.00 C ATOM 356 CG2 ILE A 26 -12.433 -0.916 1.956 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.956 -3.682 1.461 1.00 0.00 C ATOM 0 H ILE A 26 -10.966 -4.344 3.406 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.030 -2.086 2.010 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.624 -2.556 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.193 -2.975 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.880 -4.268 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.483 -0.901 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.261 -0.169 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.813 -0.689 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.189 -4.418 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.214 -4.087 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.531 -2.774 1.281 1.00 0.00 H new ATOM 369 N GLN A 27 -10.513 -1.568 5.261 1.00 0.00 N ATOM 370 CA GLN A 27 -10.190 -0.668 6.367 1.00 0.00 C ATOM 371 C GLN A 27 -8.680 -0.415 6.441 1.00 0.00 C ATOM 372 O GLN A 27 -8.265 0.743 6.492 1.00 0.00 O ATOM 373 CB GLN A 27 -10.719 -1.232 7.705 1.00 0.00 C ATOM 374 CG GLN A 27 -12.222 -1.020 7.922 1.00 0.00 C ATOM 375 CD GLN A 27 -12.541 0.460 8.105 1.00 0.00 C ATOM 376 OE1 GLN A 27 -12.303 1.034 9.163 1.00 0.00 O ATOM 377 NE2 GLN A 27 -13.049 1.127 7.083 1.00 0.00 N ATOM 0 H GLN A 27 -11.001 -2.415 5.553 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.684 0.286 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.503 -2.300 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.175 -0.764 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.776 -1.413 7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.549 -1.578 8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.245 0.645 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.245 2.124 7.172 1.00 0.00 H new ATOM 386 N LYS A 28 -7.856 -1.470 6.431 1.00 0.00 N ATOM 387 CA LYS A 28 -6.399 -1.343 6.489 1.00 0.00 C ATOM 388 C LYS A 28 -5.895 -0.491 5.330 1.00 0.00 C ATOM 389 O LYS A 28 -5.054 0.382 5.534 1.00 0.00 O ATOM 390 CB LYS A 28 -5.745 -2.735 6.445 1.00 0.00 C ATOM 391 CG LYS A 28 -5.928 -3.501 7.759 1.00 0.00 C ATOM 392 CD LYS A 28 -5.402 -4.934 7.621 1.00 0.00 C ATOM 393 CE LYS A 28 -5.573 -5.717 8.928 1.00 0.00 C ATOM 394 NZ LYS A 28 -6.944 -6.210 9.145 1.00 0.00 N ATOM 0 H LYS A 28 -8.183 -2.435 6.382 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.128 -0.854 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.176 -3.312 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.681 -2.628 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.399 -2.989 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.983 -3.519 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.934 -5.443 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.348 -4.912 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.887 -6.564 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.289 -5.078 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.004 -6.670 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.610 -5.412 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.187 -6.897 8.403 1.00 0.00 H new ATOM 408 N ALA A 29 -6.397 -0.722 4.116 1.00 0.00 N ATOM 409 CA ALA A 29 -5.959 0.051 2.965 1.00 0.00 C ATOM 410 C ALA A 29 -6.315 1.526 3.135 1.00 0.00 C ATOM 411 O ALA A 29 -5.506 2.383 2.799 1.00 0.00 O ATOM 412 CB ALA A 29 -6.574 -0.506 1.678 1.00 0.00 C ATOM 0 H ALA A 29 -7.100 -1.432 3.911 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.874 -0.031 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.235 0.085 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.265 -1.543 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.661 -0.457 1.743 1.00 0.00 H new ATOM 418 N LEU A 30 -7.500 1.835 3.663 1.00 0.00 N ATOM 419 CA LEU A 30 -7.965 3.203 3.856 1.00 0.00 C ATOM 420 C LEU A 30 -7.143 3.992 4.853 1.00 0.00 C ATOM 421 O LEU A 30 -6.742 5.112 4.530 1.00 0.00 O ATOM 422 CB LEU A 30 -9.430 3.209 4.297 1.00 0.00 C ATOM 423 CG LEU A 30 -10.369 2.929 3.123 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.733 2.488 3.651 1.00 0.00 C ATOM 425 CD2 LEU A 30 -10.482 4.191 2.251 1.00 0.00 C ATOM 0 H LEU A 30 -8.170 1.131 3.972 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.851 3.694 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.581 2.458 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.675 4.175 4.738 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.972 2.123 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.401 2.289 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.617 1.582 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.156 3.278 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.151 3.995 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.879 5.012 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.496 4.462 1.873 1.00 0.00 H new ATOM 437 N VAL A 31 -6.919 3.444 6.045 1.00 0.00 N ATOM 438 CA VAL A 31 -6.153 4.133 7.073 1.00 0.00 C ATOM 439 C VAL A 31 -4.740 4.427 6.557 1.00 0.00 C ATOM 440 O VAL A 31 -4.324 5.589 6.570 1.00 0.00 O ATOM 441 CB VAL A 31 -6.259 3.367 8.409 1.00 0.00 C ATOM 442 CG1 VAL A 31 -5.648 1.964 8.411 1.00 0.00 C ATOM 443 CG2 VAL A 31 -5.655 4.167 9.565 1.00 0.00 C ATOM 0 H VAL A 31 -7.259 2.523 6.320 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.566 5.116 7.297 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.333 3.240 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.775 1.513 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.147 1.349 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.585 2.030 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.747 3.597 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.602 4.361 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.185 5.114 9.668 1.00 0.00 H new ATOM 453 N ILE A 32 -4.051 3.416 6.014 1.00 0.00 N ATOM 454 CA ILE A 32 -2.697 3.545 5.479 1.00 0.00 C ATOM 455 C ILE A 32 -2.685 4.515 4.295 1.00 0.00 C ATOM 456 O ILE A 32 -1.725 5.262 4.149 1.00 0.00 O ATOM 457 CB ILE A 32 -2.122 2.152 5.121 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.082 1.242 6.372 1.00 0.00 C ATOM 459 CG2 ILE A 32 -0.702 2.270 4.537 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.851 -0.234 6.052 1.00 0.00 C ATOM 0 H ILE A 32 -4.428 2.472 5.934 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.043 3.968 6.242 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.778 1.711 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.291 1.588 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.022 1.344 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.324 1.277 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.730 2.878 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.045 2.740 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.835 -0.809 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.655 -0.598 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.897 -0.350 5.537 1.00 0.00 H new ATOM 472 N ALA A 33 -3.734 4.548 3.465 1.00 0.00 N ATOM 473 CA ALA A 33 -3.814 5.445 2.320 1.00 0.00 C ATOM 474 C ALA A 33 -4.117 6.894 2.725 1.00 0.00 C ATOM 475 O ALA A 33 -4.297 7.746 1.850 1.00 0.00 O ATOM 476 CB ALA A 33 -4.870 4.952 1.339 1.00 0.00 C ATOM 0 H ALA A 33 -4.552 3.948 3.574 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.834 5.439 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.921 5.631 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.606 3.953 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.840 4.919 1.835 1.00 0.00 H new ATOM 482 N HIS A 34 -4.186 7.193 4.024 1.00 0.00 N ATOM 483 CA HIS A 34 -4.483 8.510 4.562 1.00 0.00 C ATOM 484 C HIS A 34 -5.922 8.906 4.187 1.00 0.00 C ATOM 485 O HIS A 34 -6.158 10.033 3.751 1.00 0.00 O ATOM 486 CB HIS A 34 -3.408 9.553 4.166 1.00 0.00 C ATOM 487 CG HIS A 34 -1.970 9.155 4.422 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.870 9.520 3.669 1.00 0.00 N ATOM 489 CD2 HIS A 34 -1.512 8.377 5.452 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.220 8.989 4.247 1.00 0.00 C ATOM 491 NE2 HIS A 34 -0.121 8.298 5.343 1.00 0.00 N ATOM 0 H HIS A 34 -4.030 6.495 4.751 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.437 8.480 5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.519 9.775 3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.610 10.477 4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.118 7.908 6.213 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.229 9.103 3.880 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.512 7.809 5.976 1.00 0.00 H new ATOM 499 N ASN A 35 -6.892 7.986 4.335 1.00 0.00 N ATOM 500 CA ASN A 35 -8.322 8.181 4.050 1.00 0.00 C ATOM 501 C ASN A 35 -8.610 8.501 2.571 1.00 0.00 C ATOM 502 O ASN A 35 -9.643 9.097 2.244 1.00 0.00 O ATOM 503 CB ASN A 35 -8.953 9.199 5.028 1.00 0.00 C ATOM 504 CG ASN A 35 -9.095 8.676 6.449 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.114 8.351 7.109 1.00 0.00 O ATOM 506 ND2 ASN A 35 -10.315 8.503 6.937 1.00 0.00 N ATOM 0 H ASN A 35 -6.690 7.045 4.672 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.814 7.224 4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.343 10.102 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.937 9.485 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.441 8.098 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.128 8.775 6.385 1.00 0.00 H new ATOM 513 N ASN A 36 -7.709 8.101 1.669 1.00 0.00 N ATOM 514 CA ASN A 36 -7.811 8.299 0.225 1.00 0.00 C ATOM 515 C ASN A 36 -8.344 7.001 -0.378 1.00 0.00 C ATOM 516 O ASN A 36 -7.626 6.000 -0.394 1.00 0.00 O ATOM 517 CB ASN A 36 -6.441 8.690 -0.329 1.00 0.00 C ATOM 518 CG ASN A 36 -6.430 8.950 -1.826 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.238 8.412 -2.573 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.490 9.758 -2.291 1.00 0.00 N ATOM 0 H ASN A 36 -6.856 7.611 1.938 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.495 9.108 -0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.094 9.585 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.729 7.896 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.427 9.944 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.829 10.194 -1.648 1.00 0.00 H new ATOM 527 N ILE A 37 -9.603 6.989 -0.828 1.00 0.00 N ATOM 528 CA ILE A 37 -10.231 5.800 -1.403 1.00 0.00 C ATOM 529 C ILE A 37 -9.514 5.276 -2.649 1.00 0.00 C ATOM 530 O ILE A 37 -9.341 4.068 -2.764 1.00 0.00 O ATOM 531 CB ILE A 37 -11.735 6.053 -1.665 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.489 4.792 -2.136 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.999 7.164 -2.698 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.673 3.718 -1.058 1.00 0.00 C ATOM 0 H ILE A 37 -10.214 7.805 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.138 5.005 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.111 6.366 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.470 5.089 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.950 4.355 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.074 7.288 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.567 8.100 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.543 6.892 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.213 2.869 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.697 3.388 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.241 4.132 -0.225 1.00 0.00 H new ATOM 546 N GLU A 38 -9.122 6.145 -3.581 1.00 0.00 N ATOM 547 CA GLU A 38 -8.451 5.766 -4.822 1.00 0.00 C ATOM 548 C GLU A 38 -7.148 5.047 -4.488 1.00 0.00 C ATOM 549 O GLU A 38 -6.898 3.918 -4.910 1.00 0.00 O ATOM 550 CB GLU A 38 -8.143 7.035 -5.639 1.00 0.00 C ATOM 551 CG GLU A 38 -9.385 7.732 -6.207 1.00 0.00 C ATOM 552 CD GLU A 38 -9.681 7.393 -7.670 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.260 6.318 -8.163 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.347 8.243 -8.307 1.00 0.00 O ATOM 0 H GLU A 38 -9.265 7.151 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.094 5.105 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.602 7.739 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.479 6.772 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.249 7.461 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.257 8.810 -6.114 1.00 0.00 H new ATOM 561 N MET A 39 -6.322 5.711 -3.686 1.00 0.00 N ATOM 562 CA MET A 39 -5.033 5.214 -3.242 1.00 0.00 C ATOM 563 C MET A 39 -5.226 3.868 -2.542 1.00 0.00 C ATOM 564 O MET A 39 -4.482 2.927 -2.806 1.00 0.00 O ATOM 565 CB MET A 39 -4.444 6.299 -2.346 1.00 0.00 C ATOM 566 CG MET A 39 -2.949 6.248 -2.083 1.00 0.00 C ATOM 567 SD MET A 39 -2.323 7.888 -1.604 1.00 0.00 S ATOM 568 CE MET A 39 -0.545 7.580 -1.637 1.00 0.00 C ATOM 0 H MET A 39 -6.541 6.637 -3.319 1.00 0.00 H new ATOM 0 HA MET A 39 -4.338 5.022 -4.059 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.676 7.267 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.957 6.259 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.738 5.528 -1.292 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.429 5.902 -2.976 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.014 8.481 -1.331 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.304 6.767 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.242 7.306 -2.648 1.00 0.00 H new ATOM 578 N ALA A 40 -6.255 3.742 -1.699 1.00 0.00 N ATOM 579 CA ALA A 40 -6.560 2.512 -0.992 1.00 0.00 C ATOM 580 C ALA A 40 -7.001 1.414 -1.969 1.00 0.00 C ATOM 581 O ALA A 40 -6.643 0.252 -1.790 1.00 0.00 O ATOM 582 CB ALA A 40 -7.644 2.792 0.050 1.00 0.00 C ATOM 0 H ALA A 40 -6.901 4.503 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.663 2.153 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.879 1.873 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.286 3.542 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.541 3.161 -0.448 1.00 0.00 H new ATOM 588 N LYS A 41 -7.794 1.745 -2.995 1.00 0.00 N ATOM 589 CA LYS A 41 -8.270 0.790 -3.999 1.00 0.00 C ATOM 590 C LYS A 41 -7.085 0.157 -4.717 1.00 0.00 C ATOM 591 O LYS A 41 -7.113 -1.046 -4.970 1.00 0.00 O ATOM 592 CB LYS A 41 -9.198 1.479 -5.014 1.00 0.00 C ATOM 593 CG LYS A 41 -10.633 1.599 -4.507 1.00 0.00 C ATOM 594 CD LYS A 41 -11.512 2.301 -5.547 1.00 0.00 C ATOM 595 CE LYS A 41 -12.927 2.426 -4.986 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.877 2.924 -5.993 1.00 0.00 N ATOM 0 H LYS A 41 -8.127 2.696 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.839 0.011 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.811 2.473 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.192 0.916 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.033 0.608 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.649 2.158 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.109 3.287 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.523 1.734 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.260 1.454 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.919 3.101 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.825 2.994 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.574 3.863 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.904 2.267 -6.799 1.00 0.00 H new ATOM 610 N ASN A 42 -6.052 0.953 -5.007 1.00 0.00 N ATOM 611 CA ASN A 42 -4.844 0.480 -5.676 1.00 0.00 C ATOM 612 C ASN A 42 -4.216 -0.603 -4.793 1.00 0.00 C ATOM 613 O ASN A 42 -3.931 -1.694 -5.279 1.00 0.00 O ATOM 614 CB ASN A 42 -3.841 1.625 -5.928 1.00 0.00 C ATOM 615 CG ASN A 42 -4.173 2.553 -7.094 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.382 2.724 -8.022 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.311 3.216 -7.081 1.00 0.00 N ATOM 0 H ASN A 42 -6.033 1.948 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.105 0.077 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.767 2.224 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.857 1.189 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.532 3.865 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.972 3.080 -6.316 1.00 0.00 H new ATOM 624 N ILE A 43 -4.044 -0.344 -3.486 1.00 0.00 N ATOM 625 CA ILE A 43 -3.461 -1.306 -2.541 1.00 0.00 C ATOM 626 C ILE A 43 -4.237 -2.628 -2.627 1.00 0.00 C ATOM 627 O ILE A 43 -3.652 -3.699 -2.809 1.00 0.00 O ATOM 628 CB ILE A 43 -3.439 -0.752 -1.084 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.721 0.611 -0.972 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.750 -1.747 -0.148 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.863 1.317 0.384 1.00 0.00 C ATOM 0 H ILE A 43 -4.307 0.542 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.421 -1.481 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.480 -0.610 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.661 0.463 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.106 1.271 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.742 -1.347 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.291 -2.693 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.725 -1.911 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.324 2.264 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.917 1.505 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.449 0.684 1.169 1.00 0.00 H new ATOM 643 N LEU A 44 -5.568 -2.548 -2.539 1.00 0.00 N ATOM 644 CA LEU A 44 -6.438 -3.717 -2.586 1.00 0.00 C ATOM 645 C LEU A 44 -6.385 -4.492 -3.899 1.00 0.00 C ATOM 646 O LEU A 44 -6.739 -5.666 -3.902 1.00 0.00 O ATOM 647 CB LEU A 44 -7.899 -3.323 -2.345 1.00 0.00 C ATOM 648 CG LEU A 44 -8.203 -2.755 -0.955 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.679 -2.349 -0.940 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.904 -3.758 0.167 1.00 0.00 C ATOM 0 H LEU A 44 -6.070 -1.666 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.059 -4.365 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.187 -2.584 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.526 -4.200 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.558 -1.897 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.934 -1.939 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.857 -1.596 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.299 -3.223 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.137 -3.306 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.514 -4.651 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.849 -4.031 0.139 1.00 0.00 H new ATOM 662 N ARG A 45 -5.997 -3.887 -5.020 1.00 0.00 N ATOM 663 CA ARG A 45 -5.951 -4.597 -6.294 1.00 0.00 C ATOM 664 C ARG A 45 -4.570 -5.136 -6.594 1.00 0.00 C ATOM 665 O ARG A 45 -4.447 -6.268 -7.059 1.00 0.00 O ATOM 666 CB ARG A 45 -6.412 -3.650 -7.399 1.00 0.00 C ATOM 667 CG ARG A 45 -6.445 -4.353 -8.764 1.00 0.00 C ATOM 668 CD ARG A 45 -7.124 -3.447 -9.781 1.00 0.00 C ATOM 669 NE ARG A 45 -6.322 -2.256 -10.099 1.00 0.00 N ATOM 670 CZ ARG A 45 -6.821 -1.178 -10.716 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.104 -1.126 -11.062 1.00 0.00 N ATOM 672 NH2 ARG A 45 -6.054 -0.121 -10.948 1.00 0.00 N ATOM 0 H ARG A 45 -5.711 -2.909 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.616 -5.459 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.405 -3.267 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.742 -2.791 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.432 -4.588 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.982 -5.298 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.311 -4.009 -10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.094 -3.135 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.336 -2.251 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.720 -1.913 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.472 -0.299 -11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.077 -0.126 -10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.441 0.697 -11.419 1.00 0.00 H new ATOM 686 N GLU A 46 -3.535 -4.353 -6.335 1.00 0.00 N ATOM 687 CA GLU A 46 -2.173 -4.755 -6.609 1.00 0.00 C ATOM 688 C GLU A 46 -1.663 -5.799 -5.605 1.00 0.00 C ATOM 689 O GLU A 46 -0.974 -6.730 -6.025 1.00 0.00 O ATOM 690 CB GLU A 46 -1.302 -3.497 -6.644 1.00 0.00 C ATOM 691 CG GLU A 46 -1.388 -2.705 -7.967 1.00 0.00 C ATOM 692 CD GLU A 46 -2.728 -2.013 -8.292 1.00 0.00 C ATOM 693 OE1 GLU A 46 -3.574 -2.579 -9.026 1.00 0.00 O ATOM 694 OE2 GLU A 46 -2.859 -0.799 -8.019 1.00 0.00 O ATOM 0 H GLU A 46 -3.620 -3.421 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.125 -5.251 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.594 -2.843 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.264 -3.782 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.609 -1.943 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.154 -3.387 -8.784 1.00 0.00 H new ATOM 701 N PHE A 47 -1.995 -5.696 -4.310 1.00 0.00 N ATOM 702 CA PHE A 47 -1.542 -6.647 -3.288 1.00 0.00 C ATOM 703 C PHE A 47 -2.620 -7.676 -2.968 1.00 0.00 C ATOM 704 O PHE A 47 -2.419 -8.874 -3.198 1.00 0.00 O ATOM 705 CB PHE A 47 -1.158 -5.924 -1.994 1.00 0.00 C ATOM 706 CG PHE A 47 0.180 -5.220 -2.014 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.283 -3.889 -2.464 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.310 -5.872 -1.488 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.524 -3.233 -2.427 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.552 -5.219 -1.459 1.00 0.00 C ATOM 711 CZ PHE A 47 2.656 -3.905 -1.935 1.00 0.00 C ATOM 0 H PHE A 47 -2.586 -4.950 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.669 -7.155 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.931 -5.191 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.155 -6.649 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.590 -3.374 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.222 -6.878 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.608 -2.214 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.423 -5.727 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.613 -3.405 -1.924 1.00 0.00 H new ATOM 721 N SER A 48 -3.716 -7.219 -2.357 1.00 0.00 N ATOM 722 CA SER A 48 -4.853 -8.041 -1.966 1.00 0.00 C ATOM 723 C SER A 48 -5.645 -8.427 -3.226 1.00 0.00 C ATOM 724 O SER A 48 -5.199 -8.216 -4.358 1.00 0.00 O ATOM 725 CB SER A 48 -5.680 -7.265 -0.926 1.00 0.00 C ATOM 726 OG SER A 48 -6.746 -8.009 -0.371 1.00 0.00 O ATOM 0 H SER A 48 -3.836 -6.235 -2.115 1.00 0.00 H new ATOM 0 HA SER A 48 -4.543 -8.974 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.020 -6.939 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.082 -6.366 -1.393 1.00 0.00 H new ATOM 0 HG SER A 48 -7.226 -7.457 0.281 1.00 0.00 H new ATOM 732 N GLY A 49 -6.807 -9.036 -3.036 1.00 0.00 N ATOM 733 CA GLY A 49 -7.719 -9.469 -4.070 1.00 0.00 C ATOM 734 C GLY A 49 -9.020 -9.892 -3.393 1.00 0.00 C ATOM 735 O GLY A 49 -9.029 -10.151 -2.183 1.00 0.00 O ATOM 0 H GLY A 49 -7.152 -9.250 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.902 -8.663 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.293 -10.300 -4.633 1.00 0.00 H new ATOM 739 N PRO A 50 -10.135 -9.929 -4.134 1.00 0.00 N ATOM 740 CA PRO A 50 -11.403 -10.345 -3.569 1.00 0.00 C ATOM 741 C PRO A 50 -11.346 -11.862 -3.354 1.00 0.00 C ATOM 742 O PRO A 50 -10.899 -12.601 -4.237 1.00 0.00 O ATOM 743 CB PRO A 50 -12.443 -9.936 -4.607 1.00 0.00 C ATOM 744 CG PRO A 50 -11.689 -10.021 -5.935 1.00 0.00 C ATOM 745 CD PRO A 50 -10.261 -9.630 -5.554 1.00 0.00 C ATOM 0 HA PRO A 50 -11.642 -9.895 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.305 -10.603 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.816 -8.929 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.732 -11.024 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.107 -9.343 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.532 -10.192 -6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.079 -8.573 -5.749 1.00 0.00 H new ATOM 753 N SER A 51 -11.780 -12.342 -2.192 1.00 0.00 N ATOM 754 CA SER A 51 -11.782 -13.764 -1.864 1.00 0.00 C ATOM 755 C SER A 51 -12.933 -14.524 -2.540 1.00 0.00 C ATOM 756 O SER A 51 -13.089 -15.730 -2.328 1.00 0.00 O ATOM 757 CB SER A 51 -11.825 -13.910 -0.341 1.00 0.00 C ATOM 758 OG SER A 51 -12.857 -13.134 0.231 1.00 0.00 O ATOM 0 H SER A 51 -12.143 -11.750 -1.445 1.00 0.00 H new ATOM 0 HA SER A 51 -10.869 -14.216 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.971 -14.958 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.866 -13.607 0.080 1.00 0.00 H new ATOM 0 HG SER A 51 -12.855 -13.253 1.204 1.00 0.00 H new ATOM 764 N SER A 52 -13.769 -13.836 -3.317 1.00 0.00 N ATOM 765 CA SER A 52 -14.911 -14.375 -4.030 1.00 0.00 C ATOM 766 C SER A 52 -15.219 -13.448 -5.221 1.00 0.00 C ATOM 767 O SER A 52 -14.346 -12.705 -5.678 1.00 0.00 O ATOM 768 CB SER A 52 -16.066 -14.529 -3.023 1.00 0.00 C ATOM 769 OG SER A 52 -16.483 -13.287 -2.481 1.00 0.00 O ATOM 0 H SER A 52 -13.656 -12.834 -3.470 1.00 0.00 H new ATOM 0 HA SER A 52 -14.727 -15.363 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.912 -15.009 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.752 -15.188 -2.213 1.00 0.00 H new ATOM 0 HG SER A 52 -17.218 -13.436 -1.850 1.00 0.00 H new ATOM 775 N GLY A 53 -16.440 -13.512 -5.750 1.00 0.00 N ATOM 776 CA GLY A 53 -16.942 -12.715 -6.857 1.00 0.00 C ATOM 777 C GLY A 53 -18.448 -12.891 -6.915 1.00 0.00 C ATOM 778 O GLY A 53 -19.025 -12.880 -8.018 1.00 0.00 O ATOM 0 H GLY A 53 -17.142 -14.160 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.686 -11.665 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.485 -13.033 -7.794 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 26.042 7.843 2.682 1.00 0.00 N ATOM 784 CA GLY B 1 26.445 9.252 2.736 1.00 0.00 C ATOM 785 C GLY B 1 27.775 9.400 3.439 1.00 0.00 C ATOM 786 O GLY B 1 27.854 9.165 4.642 1.00 0.00 O ATOM 0 H1 GLY B 1 25.126 7.762 2.196 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.759 7.296 2.163 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.955 7.470 3.649 1.00 0.00 H new ATOM 0 HA2 GLY B 1 26.515 9.654 1.725 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.685 9.833 3.258 1.00 0.00 H new ATOM 790 N SER B 2 28.825 9.780 2.705 1.00 0.00 N ATOM 791 CA SER B 2 30.173 9.979 3.239 1.00 0.00 C ATOM 792 C SER B 2 30.132 10.949 4.425 1.00 0.00 C ATOM 793 O SER B 2 30.611 10.620 5.509 1.00 0.00 O ATOM 794 CB SER B 2 31.106 10.465 2.119 1.00 0.00 C ATOM 795 OG SER B 2 30.489 11.446 1.300 1.00 0.00 O ATOM 0 H SER B 2 28.759 9.961 1.703 1.00 0.00 H new ATOM 0 HA SER B 2 30.569 9.034 3.611 1.00 0.00 H new ATOM 0 HB2 SER B 2 32.014 10.878 2.558 1.00 0.00 H new ATOM 0 HB3 SER B 2 31.407 9.617 1.504 1.00 0.00 H new ATOM 0 HG SER B 2 31.115 11.730 0.602 1.00 0.00 H new ATOM 801 N SER B 3 29.519 12.115 4.229 1.00 0.00 N ATOM 802 CA SER B 3 29.348 13.153 5.230 1.00 0.00 C ATOM 803 C SER B 3 27.907 13.037 5.737 1.00 0.00 C ATOM 804 O SER B 3 27.643 12.436 6.779 1.00 0.00 O ATOM 805 CB SER B 3 29.698 14.509 4.597 1.00 0.00 C ATOM 806 OG SER B 3 29.085 14.644 3.321 1.00 0.00 O ATOM 0 H SER B 3 29.113 12.368 3.328 1.00 0.00 H new ATOM 0 HA SER B 3 30.011 13.051 6.089 1.00 0.00 H new ATOM 0 HB2 SER B 3 29.369 15.316 5.251 1.00 0.00 H new ATOM 0 HB3 SER B 3 30.780 14.601 4.497 1.00 0.00 H new ATOM 0 HG SER B 3 29.319 15.514 2.936 1.00 0.00 H new ATOM 812 N GLY B 4 26.959 13.546 4.953 1.00 0.00 N ATOM 813 CA GLY B 4 25.539 13.532 5.237 1.00 0.00 C ATOM 814 C GLY B 4 24.781 13.675 3.931 1.00 0.00 C ATOM 815 O GLY B 4 25.106 14.546 3.120 1.00 0.00 O ATOM 0 H GLY B 4 27.177 13.998 4.065 1.00 0.00 H new ATOM 0 HA2 GLY B 4 25.262 12.603 5.735 1.00 0.00 H new ATOM 0 HA3 GLY B 4 25.281 14.346 5.915 1.00 0.00 H new ATOM 819 N SER B 5 23.805 12.802 3.680 1.00 0.00 N ATOM 820 CA SER B 5 22.997 12.827 2.468 1.00 0.00 C ATOM 821 C SER B 5 21.659 12.134 2.732 1.00 0.00 C ATOM 822 O SER B 5 21.640 10.961 3.119 1.00 0.00 O ATOM 823 CB SER B 5 23.738 12.117 1.324 1.00 0.00 C ATOM 824 OG SER B 5 25.061 12.609 1.154 1.00 0.00 O ATOM 0 H SER B 5 23.553 12.050 4.322 1.00 0.00 H new ATOM 0 HA SER B 5 22.817 13.862 2.179 1.00 0.00 H new ATOM 0 HB2 SER B 5 23.773 11.046 1.526 1.00 0.00 H new ATOM 0 HB3 SER B 5 23.181 12.248 0.396 1.00 0.00 H new ATOM 0 HG SER B 5 25.496 12.130 0.418 1.00 0.00 H new ATOM 830 N SER B 6 20.550 12.851 2.550 1.00 0.00 N ATOM 831 CA SER B 6 19.185 12.363 2.722 1.00 0.00 C ATOM 832 C SER B 6 18.356 12.869 1.541 1.00 0.00 C ATOM 833 O SER B 6 18.751 13.812 0.853 1.00 0.00 O ATOM 834 CB SER B 6 18.610 12.761 4.085 1.00 0.00 C ATOM 835 OG SER B 6 19.364 12.165 5.131 1.00 0.00 O ATOM 0 H SER B 6 20.582 13.830 2.266 1.00 0.00 H new ATOM 0 HA SER B 6 19.164 11.273 2.723 1.00 0.00 H new ATOM 0 HB2 SER B 6 18.623 13.846 4.190 1.00 0.00 H new ATOM 0 HB3 SER B 6 17.568 12.447 4.154 1.00 0.00 H new ATOM 0 HG SER B 6 18.988 12.428 5.997 1.00 0.00 H new ATOM 841 N GLY B 7 17.208 12.255 1.277 1.00 0.00 N ATOM 842 CA GLY B 7 16.334 12.605 0.167 1.00 0.00 C ATOM 843 C GLY B 7 16.458 11.581 -0.964 1.00 0.00 C ATOM 844 O GLY B 7 16.149 11.901 -2.111 1.00 0.00 O ATOM 0 H GLY B 7 16.853 11.484 1.842 1.00 0.00 H new ATOM 0 HA2 GLY B 7 15.301 12.650 0.512 1.00 0.00 H new ATOM 0 HA3 GLY B 7 16.590 13.597 -0.205 1.00 0.00 H new ATOM 848 N GLN B 8 17.010 10.395 -0.684 1.00 0.00 N ATOM 849 CA GLN B 8 17.165 9.304 -1.631 1.00 0.00 C ATOM 850 C GLN B 8 16.308 8.180 -1.079 1.00 0.00 C ATOM 851 O GLN B 8 16.314 7.926 0.124 1.00 0.00 O ATOM 852 CB GLN B 8 18.614 8.840 -1.805 1.00 0.00 C ATOM 853 CG GLN B 8 19.476 9.867 -2.543 1.00 0.00 C ATOM 854 CD GLN B 8 20.637 9.185 -3.261 1.00 0.00 C ATOM 855 OE1 GLN B 8 21.605 8.765 -2.628 1.00 0.00 O ATOM 856 NE2 GLN B 8 20.579 9.040 -4.574 1.00 0.00 N ATOM 0 H GLN B 8 17.371 10.169 0.243 1.00 0.00 H new ATOM 0 HA GLN B 8 16.862 9.627 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN B 8 19.049 8.643 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN B 8 18.627 7.899 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN B 8 18.865 10.410 -3.264 1.00 0.00 H new ATOM 0 HG3 GLN B 8 19.861 10.601 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN B 8 19.773 9.391 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN B 8 21.340 8.577 -5.070 1.00 0.00 H new ATOM 865 N LEU B 9 15.596 7.496 -1.965 1.00 0.00 N ATOM 866 CA LEU B 9 14.701 6.406 -1.610 1.00 0.00 C ATOM 867 C LEU B 9 15.278 5.041 -1.972 1.00 0.00 C ATOM 868 O LEU B 9 14.923 4.049 -1.335 1.00 0.00 O ATOM 869 CB LEU B 9 13.370 6.659 -2.320 1.00 0.00 C ATOM 870 CG LEU B 9 12.365 7.498 -1.527 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.912 8.841 -1.036 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.160 7.704 -2.443 1.00 0.00 C ATOM 0 H LEU B 9 15.626 7.687 -2.966 1.00 0.00 H new ATOM 0 HA LEU B 9 14.560 6.383 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.570 7.158 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.913 5.698 -2.556 1.00 0.00 H new ATOM 0 HG LEU B 9 12.107 6.965 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.135 9.370 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.768 8.669 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.223 9.442 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.407 8.299 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.475 8.224 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.736 6.736 -2.710 1.00 0.00 H new ATOM 884 N SER B 10 16.190 4.974 -2.941 1.00 0.00 N ATOM 885 CA SER B 10 16.813 3.737 -3.395 1.00 0.00 C ATOM 886 C SER B 10 17.554 3.029 -2.261 1.00 0.00 C ATOM 887 O SER B 10 17.441 1.811 -2.110 1.00 0.00 O ATOM 888 CB SER B 10 17.751 4.077 -4.555 1.00 0.00 C ATOM 889 OG SER B 10 17.031 4.827 -5.516 1.00 0.00 O ATOM 0 H SER B 10 16.522 5.798 -3.442 1.00 0.00 H new ATOM 0 HA SER B 10 16.045 3.041 -3.733 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.607 4.648 -4.194 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.143 3.164 -5.004 1.00 0.00 H new ATOM 0 HG SER B 10 17.622 5.053 -6.264 1.00 0.00 H new ATOM 895 N SER B 11 18.299 3.780 -1.453 1.00 0.00 N ATOM 896 CA SER B 11 19.057 3.263 -0.322 1.00 0.00 C ATOM 897 C SER B 11 18.136 2.653 0.738 1.00 0.00 C ATOM 898 O SER B 11 18.553 1.789 1.510 1.00 0.00 O ATOM 899 CB SER B 11 19.865 4.430 0.264 1.00 0.00 C ATOM 900 OG SER B 11 19.083 5.617 0.331 1.00 0.00 O ATOM 0 H SER B 11 18.393 4.789 -1.572 1.00 0.00 H new ATOM 0 HA SER B 11 19.721 2.465 -0.653 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.217 4.167 1.261 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.748 4.608 -0.349 1.00 0.00 H new ATOM 0 HG SER B 11 18.434 5.540 1.061 1.00 0.00 H new ATOM 906 N GLU B 12 16.870 3.069 0.756 1.00 0.00 N ATOM 907 CA GLU B 12 15.869 2.623 1.701 1.00 0.00 C ATOM 908 C GLU B 12 15.285 1.270 1.268 1.00 0.00 C ATOM 909 O GLU B 12 14.850 0.509 2.134 1.00 0.00 O ATOM 910 CB GLU B 12 14.813 3.729 1.907 1.00 0.00 C ATOM 911 CG GLU B 12 15.372 5.170 1.899 1.00 0.00 C ATOM 912 CD GLU B 12 16.497 5.447 2.909 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.178 5.859 4.047 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.699 5.299 2.563 1.00 0.00 O ATOM 0 H GLU B 12 16.510 3.749 0.087 1.00 0.00 H new ATOM 0 HA GLU B 12 16.323 2.448 2.676 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.060 3.642 1.124 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.307 3.556 2.857 1.00 0.00 H new ATOM 0 HG2 GLU B 12 15.743 5.392 0.898 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.552 5.861 2.096 1.00 0.00 H new ATOM 921 N ILE B 13 15.306 0.938 -0.033 1.00 0.00 N ATOM 922 CA ILE B 13 14.810 -0.342 -0.565 1.00 0.00 C ATOM 923 C ILE B 13 15.695 -1.429 0.055 1.00 0.00 C ATOM 924 O ILE B 13 15.212 -2.426 0.588 1.00 0.00 O ATOM 925 CB ILE B 13 14.880 -0.392 -2.122 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.149 0.802 -2.767 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.276 -1.693 -2.692 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.309 0.901 -4.289 1.00 0.00 C ATOM 0 H ILE B 13 15.673 1.559 -0.754 1.00 0.00 H new ATOM 0 HA ILE B 13 13.760 -0.482 -0.310 1.00 0.00 H new ATOM 0 HB ILE B 13 15.941 -0.350 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.087 0.732 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.517 1.723 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.348 -1.681 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.824 -2.550 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.229 -1.767 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.762 1.769 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.365 1.005 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.914 -0.001 -4.756 1.00 0.00 H new ATOM 940 N GLU B 14 17.008 -1.190 0.047 1.00 0.00 N ATOM 941 CA GLU B 14 18.022 -2.089 0.587 1.00 0.00 C ATOM 942 C GLU B 14 17.809 -2.320 2.092 1.00 0.00 C ATOM 943 O GLU B 14 18.201 -3.365 2.622 1.00 0.00 O ATOM 944 CB GLU B 14 19.414 -1.511 0.289 1.00 0.00 C ATOM 945 CG GLU B 14 19.697 -1.418 -1.219 1.00 0.00 C ATOM 946 CD GLU B 14 20.954 -0.599 -1.507 1.00 0.00 C ATOM 947 OE1 GLU B 14 22.081 -1.085 -1.255 1.00 0.00 O ATOM 948 OE2 GLU B 14 20.842 0.552 -1.986 1.00 0.00 O ATOM 0 H GLU B 14 17.404 -0.337 -0.349 1.00 0.00 H new ATOM 0 HA GLU B 14 17.938 -3.064 0.107 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.496 -0.519 0.733 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.173 -2.135 0.761 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.814 -2.421 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.843 -0.964 -1.722 1.00 0.00 H new ATOM 955 N ARG B 15 17.209 -1.359 2.808 1.00 0.00 N ATOM 956 CA ARG B 15 16.932 -1.497 4.237 1.00 0.00 C ATOM 957 C ARG B 15 15.715 -2.393 4.417 1.00 0.00 C ATOM 958 O ARG B 15 15.732 -3.246 5.302 1.00 0.00 O ATOM 959 CB ARG B 15 16.714 -0.145 4.921 1.00 0.00 C ATOM 960 CG ARG B 15 17.971 0.733 4.877 1.00 0.00 C ATOM 961 CD ARG B 15 17.826 1.997 5.734 1.00 0.00 C ATOM 962 NE ARG B 15 17.584 1.683 7.153 1.00 0.00 N ATOM 963 CZ ARG B 15 18.445 1.094 7.990 1.00 0.00 C ATOM 964 NH1 ARG B 15 19.719 0.927 7.651 1.00 0.00 N ATOM 965 NH2 ARG B 15 18.021 0.664 9.164 1.00 0.00 N ATOM 0 H ARG B 15 16.905 -0.470 2.412 1.00 0.00 H new ATOM 0 HA ARG B 15 17.803 -1.947 4.714 1.00 0.00 H new ATOM 0 HB2 ARG B 15 15.890 0.378 4.435 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.422 -0.307 5.958 1.00 0.00 H new ATOM 0 HG2 ARG B 15 18.827 0.156 5.226 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.177 1.017 3.845 1.00 0.00 H new ATOM 0 HD2 ARG B 15 18.730 2.599 5.646 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.003 2.601 5.352 1.00 0.00 H new ATOM 0 HE ARG B 15 16.673 1.939 7.533 1.00 0.00 H new ATOM 0 HH11 ARG B 15 20.051 1.250 6.742 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.364 0.476 8.299 1.00 0.00 H new ATOM 0 HH21 ARG B 15 17.043 0.782 9.427 1.00 0.00 H new ATOM 0 HH22 ARG B 15 18.672 0.214 9.808 1.00 0.00 H new ATOM 979 N LEU B 16 14.679 -2.229 3.588 1.00 0.00 N ATOM 980 CA LEU B 16 13.478 -3.054 3.663 1.00 0.00 C ATOM 981 C LEU B 16 13.846 -4.507 3.373 1.00 0.00 C ATOM 982 O LEU B 16 13.337 -5.407 4.034 1.00 0.00 O ATOM 983 CB LEU B 16 12.396 -2.547 2.694 1.00 0.00 C ATOM 984 CG LEU B 16 11.408 -1.591 3.387 1.00 0.00 C ATOM 985 CD1 LEU B 16 10.594 -0.827 2.340 1.00 0.00 C ATOM 986 CD2 LEU B 16 10.468 -2.371 4.315 1.00 0.00 C ATOM 0 H LEU B 16 14.653 -1.524 2.852 1.00 0.00 H new ATOM 0 HA LEU B 16 13.062 -2.989 4.668 1.00 0.00 H new ATOM 0 HB2 LEU B 16 12.870 -2.035 1.856 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.851 -3.396 2.282 1.00 0.00 H new ATOM 0 HG LEU B 16 11.976 -0.879 3.985 1.00 0.00 H new ATOM 0 HD11 LEU B 16 9.898 -0.154 2.840 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.267 -0.249 1.707 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.036 -1.534 1.726 1.00 0.00 H new ATOM 0 HD21 LEU B 16 9.776 -1.680 4.797 1.00 0.00 H new ATOM 0 HD22 LEU B 16 9.905 -3.101 3.733 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.054 -2.887 5.076 1.00 0.00 H new ATOM 998 N MET B 17 14.777 -4.755 2.448 1.00 0.00 N ATOM 999 CA MET B 17 15.221 -6.110 2.111 1.00 0.00 C ATOM 1000 C MET B 17 15.768 -6.832 3.339 1.00 0.00 C ATOM 1001 O MET B 17 15.601 -8.042 3.458 1.00 0.00 O ATOM 1002 CB MET B 17 16.310 -6.048 1.044 1.00 0.00 C ATOM 1003 CG MET B 17 15.674 -5.673 -0.281 1.00 0.00 C ATOM 1004 SD MET B 17 16.855 -5.245 -1.568 1.00 0.00 S ATOM 1005 CE MET B 17 15.680 -5.342 -2.920 1.00 0.00 C ATOM 0 H MET B 17 15.244 -4.023 1.912 1.00 0.00 H new ATOM 0 HA MET B 17 14.359 -6.662 1.735 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.068 -5.315 1.320 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.814 -7.011 0.962 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.062 -6.506 -0.627 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.003 -4.829 -0.123 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.911 -4.574 -3.658 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.743 -6.325 -3.387 1.00 0.00 H new ATOM 0 HE3 MET B 17 14.671 -5.186 -2.537 1.00 0.00 H new ATOM 1015 N SER B 18 16.363 -6.085 4.268 1.00 0.00 N ATOM 1016 CA SER B 18 16.925 -6.605 5.503 1.00 0.00 C ATOM 1017 C SER B 18 15.849 -7.303 6.359 1.00 0.00 C ATOM 1018 O SER B 18 16.193 -8.093 7.234 1.00 0.00 O ATOM 1019 CB SER B 18 17.627 -5.446 6.224 1.00 0.00 C ATOM 1020 OG SER B 18 18.601 -5.871 7.151 1.00 0.00 O ATOM 0 H SER B 18 16.468 -5.075 4.175 1.00 0.00 H new ATOM 0 HA SER B 18 17.662 -7.381 5.297 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.098 -4.800 5.484 1.00 0.00 H new ATOM 0 HB3 SER B 18 16.880 -4.845 6.743 1.00 0.00 H new ATOM 0 HG SER B 18 19.012 -5.089 7.575 1.00 0.00 H new ATOM 1026 N GLN B 19 14.555 -7.022 6.153 1.00 0.00 N ATOM 1027 CA GLN B 19 13.461 -7.648 6.885 1.00 0.00 C ATOM 1028 C GLN B 19 12.966 -8.915 6.181 1.00 0.00 C ATOM 1029 O GLN B 19 12.154 -9.620 6.768 1.00 0.00 O ATOM 1030 CB GLN B 19 12.286 -6.659 7.004 1.00 0.00 C ATOM 1031 CG GLN B 19 12.501 -5.606 8.093 1.00 0.00 C ATOM 1032 CD GLN B 19 12.323 -6.232 9.474 1.00 0.00 C ATOM 1033 OE1 GLN B 19 11.199 -6.462 9.926 1.00 0.00 O ATOM 1034 NE2 GLN B 19 13.414 -6.560 10.137 1.00 0.00 N ATOM 0 H GLN B 19 14.241 -6.342 5.461 1.00 0.00 H new ATOM 0 HA GLN B 19 13.835 -7.921 7.872 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.140 -6.159 6.046 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.372 -7.213 7.217 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.500 -5.180 8.005 1.00 0.00 H new ATOM 0 HG3 GLN B 19 11.793 -4.788 7.963 1.00 0.00 H new ATOM 0 HE21 GLN B 19 14.332 -6.358 9.740 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.340 -7.015 11.047 1.00 0.00 H new ATOM 1043 N GLY B 20 13.403 -9.213 4.955 1.00 0.00 N ATOM 1044 CA GLY B 20 12.952 -10.395 4.232 1.00 0.00 C ATOM 1045 C GLY B 20 11.735 -10.095 3.356 1.00 0.00 C ATOM 1046 O GLY B 20 10.831 -10.924 3.285 1.00 0.00 O ATOM 0 H GLY B 20 14.075 -8.643 4.442 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.764 -10.772 3.610 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.703 -11.183 4.943 1.00 0.00 H new ATOM 1050 N TYR B 21 11.657 -8.900 2.759 1.00 0.00 N ATOM 1051 CA TYR B 21 10.560 -8.492 1.887 1.00 0.00 C ATOM 1052 C TYR B 21 10.983 -8.605 0.426 1.00 0.00 C ATOM 1053 O TYR B 21 12.087 -8.186 0.056 1.00 0.00 O ATOM 1054 CB TYR B 21 10.184 -7.031 2.148 1.00 0.00 C ATOM 1055 CG TYR B 21 9.399 -6.780 3.411 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.135 -7.372 3.578 1.00 0.00 C ATOM 1057 CD2 TYR B 21 9.894 -5.892 4.379 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.366 -7.070 4.710 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.127 -5.576 5.510 1.00 0.00 C ATOM 1060 CZ TYR B 21 7.851 -6.159 5.673 1.00 0.00 C ATOM 1061 OH TYR B 21 7.066 -5.807 6.724 1.00 0.00 O ATOM 0 H TYR B 21 12.370 -8.179 2.873 1.00 0.00 H new ATOM 0 HA TYR B 21 9.711 -9.143 2.093 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.099 -6.439 2.185 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.603 -6.666 1.301 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.757 -8.059 2.835 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.871 -5.450 4.252 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.401 -7.535 4.846 1.00 0.00 H new ATOM 0 HE2 TYR B 21 9.510 -4.891 6.252 1.00 0.00 H new ATOM 0 HH TYR B 21 6.138 -5.715 6.423 1.00 0.00 H new ATOM 1071 N SER B 22 10.098 -9.121 -0.427 1.00 0.00 N ATOM 1072 CA SER B 22 10.388 -9.263 -1.852 1.00 0.00 C ATOM 1073 C SER B 22 10.499 -7.891 -2.527 1.00 0.00 C ATOM 1074 O SER B 22 9.796 -6.941 -2.171 1.00 0.00 O ATOM 1075 CB SER B 22 9.309 -10.115 -2.520 1.00 0.00 C ATOM 1076 OG SER B 22 9.353 -11.414 -1.967 1.00 0.00 O ATOM 0 H SER B 22 9.171 -9.448 -0.154 1.00 0.00 H new ATOM 0 HA SER B 22 11.349 -9.765 -1.965 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.326 -9.671 -2.364 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.473 -10.157 -3.597 1.00 0.00 H new ATOM 0 HG SER B 22 8.664 -11.971 -2.386 1.00 0.00 H new ATOM 1082 N TYR B 23 11.339 -7.799 -3.561 1.00 0.00 N ATOM 1083 CA TYR B 23 11.571 -6.571 -4.312 1.00 0.00 C ATOM 1084 C TYR B 23 10.279 -6.086 -4.951 1.00 0.00 C ATOM 1085 O TYR B 23 10.045 -4.876 -4.977 1.00 0.00 O ATOM 1086 CB TYR B 23 12.652 -6.808 -5.372 1.00 0.00 C ATOM 1087 CG TYR B 23 12.968 -5.600 -6.231 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.723 -4.554 -5.685 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.506 -5.503 -7.558 1.00 0.00 C ATOM 1090 CE1 TYR B 23 14.019 -3.408 -6.433 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.799 -4.357 -8.322 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.559 -3.305 -7.762 1.00 0.00 C ATOM 1093 OH TYR B 23 13.838 -2.195 -8.494 1.00 0.00 O ATOM 0 H TYR B 23 11.884 -8.591 -3.902 1.00 0.00 H new ATOM 0 HA TYR B 23 11.918 -5.795 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.566 -7.133 -4.874 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.334 -7.625 -6.020 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.083 -4.633 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR B 23 11.928 -6.307 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.596 -2.607 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.442 -4.282 -9.339 1.00 0.00 H new ATOM 0 HH TYR B 23 13.448 -2.287 -9.389 1.00 0.00 H new ATOM 1103 N GLN B 24 9.461 -7.020 -5.457 1.00 0.00 N ATOM 1104 CA GLN B 24 8.190 -6.708 -6.085 1.00 0.00 C ATOM 1105 C GLN B 24 7.312 -5.946 -5.103 1.00 0.00 C ATOM 1106 O GLN B 24 6.921 -4.822 -5.395 1.00 0.00 O ATOM 1107 CB GLN B 24 7.457 -7.972 -6.550 1.00 0.00 C ATOM 1108 CG GLN B 24 8.018 -8.590 -7.832 1.00 0.00 C ATOM 1109 CD GLN B 24 6.981 -9.494 -8.495 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.086 -9.014 -9.185 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.040 -10.795 -8.276 1.00 0.00 N ATOM 0 H GLN B 24 9.674 -8.017 -5.437 1.00 0.00 H new ATOM 0 HA GLN B 24 8.394 -6.097 -6.964 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.499 -8.715 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.406 -7.731 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.314 -7.800 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN B 24 8.915 -9.165 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.788 -11.182 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.337 -11.413 -8.682 1.00 0.00 H new ATOM 1120 N ASP B 25 7.038 -6.544 -3.942 1.00 0.00 N ATOM 1121 CA ASP B 25 6.210 -5.972 -2.887 1.00 0.00 C ATOM 1122 C ASP B 25 6.705 -4.572 -2.545 1.00 0.00 C ATOM 1123 O ASP B 25 5.921 -3.624 -2.537 1.00 0.00 O ATOM 1124 CB ASP B 25 6.214 -6.880 -1.645 1.00 0.00 C ATOM 1125 CG ASP B 25 5.421 -8.168 -1.853 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.849 -8.999 -2.684 1.00 0.00 O ATOM 1127 OD2 ASP B 25 4.374 -8.342 -1.183 1.00 0.00 O ATOM 0 H ASP B 25 7.399 -7.468 -3.706 1.00 0.00 H new ATOM 0 HA ASP B 25 5.182 -5.899 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.243 -7.130 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP B 25 5.796 -6.334 -0.799 1.00 0.00 H new ATOM 1132 N ILE B 26 8.009 -4.411 -2.303 1.00 0.00 N ATOM 1133 CA ILE B 26 8.584 -3.111 -1.970 1.00 0.00 C ATOM 1134 C ILE B 26 8.255 -2.085 -3.075 1.00 0.00 C ATOM 1135 O ILE B 26 7.760 -0.999 -2.748 1.00 0.00 O ATOM 1136 CB ILE B 26 10.087 -3.250 -1.639 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.382 -4.170 -0.430 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.700 -1.864 -1.367 1.00 0.00 C ATOM 1139 CD1 ILE B 26 11.831 -4.689 -0.446 1.00 0.00 C ATOM 0 H ILE B 26 8.688 -5.172 -2.333 1.00 0.00 H new ATOM 0 HA ILE B 26 8.129 -2.718 -1.061 1.00 0.00 H new ATOM 0 HB ILE B 26 10.539 -3.716 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.202 -3.623 0.495 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.693 -5.015 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.759 -1.974 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.585 -1.236 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.190 -1.400 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE B 26 11.997 -5.331 0.419 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.003 -5.259 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.520 -3.845 -0.409 1.00 0.00 H new ATOM 1151 N GLN B 27 8.508 -2.404 -4.354 1.00 0.00 N ATOM 1152 CA GLN B 27 8.208 -1.505 -5.470 1.00 0.00 C ATOM 1153 C GLN B 27 6.707 -1.191 -5.524 1.00 0.00 C ATOM 1154 O GLN B 27 6.338 -0.017 -5.600 1.00 0.00 O ATOM 1155 CB GLN B 27 8.672 -2.095 -6.818 1.00 0.00 C ATOM 1156 CG GLN B 27 10.197 -2.108 -6.991 1.00 0.00 C ATOM 1157 CD GLN B 27 10.836 -0.725 -6.906 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.826 0.031 -7.872 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.411 -0.366 -5.774 1.00 0.00 N ATOM 0 H GLN B 27 8.925 -3.290 -4.639 1.00 0.00 H new ATOM 0 HA GLN B 27 8.760 -0.581 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.296 -3.114 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.228 -1.519 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.635 -2.749 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.440 -2.552 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.412 -1.004 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.854 0.549 -5.695 1.00 0.00 H new ATOM 1168 N LYS B 28 5.839 -2.206 -5.475 1.00 0.00 N ATOM 1169 CA LYS B 28 4.387 -2.056 -5.517 1.00 0.00 C ATOM 1170 C LYS B 28 3.907 -1.102 -4.427 1.00 0.00 C ATOM 1171 O LYS B 28 3.087 -0.229 -4.705 1.00 0.00 O ATOM 1172 CB LYS B 28 3.735 -3.439 -5.345 1.00 0.00 C ATOM 1173 CG LYS B 28 3.918 -4.352 -6.566 1.00 0.00 C ATOM 1174 CD LYS B 28 3.647 -5.823 -6.204 1.00 0.00 C ATOM 1175 CE LYS B 28 3.260 -6.615 -7.452 1.00 0.00 C ATOM 1176 NZ LYS B 28 4.374 -6.924 -8.375 1.00 0.00 N ATOM 0 H LYS B 28 6.138 -3.179 -5.403 1.00 0.00 H new ATOM 0 HA LYS B 28 4.099 -1.632 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.160 -3.927 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.670 -3.310 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.242 -4.040 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.933 -4.250 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.534 -6.261 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.847 -5.881 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.799 -7.552 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS B 28 2.502 -6.053 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 4.056 -6.798 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 5.171 -6.284 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.679 -7.908 -8.234 1.00 0.00 H new ATOM 1190 N ALA B 29 4.406 -1.237 -3.197 1.00 0.00 N ATOM 1191 CA ALA B 29 3.982 -0.358 -2.118 1.00 0.00 C ATOM 1192 C ALA B 29 4.426 1.078 -2.394 1.00 0.00 C ATOM 1193 O ALA B 29 3.675 2.003 -2.106 1.00 0.00 O ATOM 1194 CB ALA B 29 4.530 -0.856 -0.780 1.00 0.00 C ATOM 0 H ALA B 29 5.096 -1.939 -2.930 1.00 0.00 H new ATOM 0 HA ALA B 29 2.893 -0.369 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.204 -0.188 0.018 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.157 -1.862 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.619 -0.873 -0.817 1.00 0.00 H new ATOM 1200 N LEU B 30 5.624 1.281 -2.952 1.00 0.00 N ATOM 1201 CA LEU B 30 6.145 2.612 -3.246 1.00 0.00 C ATOM 1202 C LEU B 30 5.293 3.335 -4.277 1.00 0.00 C ATOM 1203 O LEU B 30 4.854 4.446 -4.000 1.00 0.00 O ATOM 1204 CB LEU B 30 7.605 2.552 -3.728 1.00 0.00 C ATOM 1205 CG LEU B 30 8.593 2.317 -2.576 1.00 0.00 C ATOM 1206 CD1 LEU B 30 9.891 1.706 -3.106 1.00 0.00 C ATOM 1207 CD2 LEU B 30 8.888 3.619 -1.817 1.00 0.00 C ATOM 0 H LEU B 30 6.257 0.524 -3.211 1.00 0.00 H new ATOM 0 HA LEU B 30 6.108 3.174 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.710 1.753 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.856 3.484 -4.234 1.00 0.00 H new ATOM 0 HG LEU B 30 8.132 1.619 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.582 1.545 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.674 0.753 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.343 2.384 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.590 3.418 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.322 4.349 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.962 4.016 -1.402 1.00 0.00 H new ATOM 1219 N VAL B 31 5.055 2.732 -5.444 1.00 0.00 N ATOM 1220 CA VAL B 31 4.272 3.368 -6.504 1.00 0.00 C ATOM 1221 C VAL B 31 2.872 3.758 -6.016 1.00 0.00 C ATOM 1222 O VAL B 31 2.407 4.875 -6.265 1.00 0.00 O ATOM 1223 CB VAL B 31 4.320 2.502 -7.785 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.650 1.128 -7.688 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.753 3.232 -9.002 1.00 0.00 C ATOM 0 H VAL B 31 5.396 1.800 -5.679 1.00 0.00 H new ATOM 0 HA VAL B 31 4.720 4.322 -6.781 1.00 0.00 H new ATOM 0 HB VAL B 31 5.388 2.323 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.744 0.609 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.134 0.542 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.595 1.254 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.809 2.582 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.713 3.498 -8.814 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.332 4.137 -9.186 1.00 0.00 H new ATOM 1235 N ILE B 32 2.219 2.875 -5.258 1.00 0.00 N ATOM 1236 CA ILE B 32 0.883 3.128 -4.736 1.00 0.00 C ATOM 1237 C ILE B 32 0.933 4.196 -3.632 1.00 0.00 C ATOM 1238 O ILE B 32 -0.043 4.920 -3.433 1.00 0.00 O ATOM 1239 CB ILE B 32 0.247 1.797 -4.288 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.140 0.823 -5.486 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -1.144 2.057 -3.701 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.210 -0.608 -5.081 1.00 0.00 C ATOM 0 H ILE B 32 2.603 1.969 -4.992 1.00 0.00 H new ATOM 0 HA ILE B 32 0.240 3.538 -5.515 1.00 0.00 H new ATOM 0 HB ILE B 32 0.880 1.345 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.618 1.192 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.087 0.818 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.588 1.113 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -1.058 2.722 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.777 2.522 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.268 -1.234 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.560 -0.996 -4.414 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.172 -0.616 -4.568 1.00 0.00 H new ATOM 1254 N ALA B 33 2.047 4.332 -2.913 1.00 0.00 N ATOM 1255 CA ALA B 33 2.223 5.321 -1.860 1.00 0.00 C ATOM 1256 C ALA B 33 2.745 6.648 -2.429 1.00 0.00 C ATOM 1257 O ALA B 33 3.129 7.523 -1.650 1.00 0.00 O ATOM 1258 CB ALA B 33 3.164 4.767 -0.789 1.00 0.00 C ATOM 0 H ALA B 33 2.868 3.743 -3.053 1.00 0.00 H new ATOM 0 HA ALA B 33 1.255 5.527 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.295 5.509 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA B 33 2.737 3.858 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.131 4.539 -1.237 1.00 0.00 H new ATOM 1264 N HIS B 34 2.749 6.837 -3.758 1.00 0.00 N ATOM 1265 CA HIS B 34 3.262 8.043 -4.419 1.00 0.00 C ATOM 1266 C HIS B 34 4.732 8.243 -3.989 1.00 0.00 C ATOM 1267 O HIS B 34 5.189 9.348 -3.698 1.00 0.00 O ATOM 1268 CB HIS B 34 2.378 9.285 -4.163 1.00 0.00 C ATOM 1269 CG HIS B 34 0.971 9.291 -4.723 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.281 10.441 -5.034 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.136 8.234 -4.982 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.949 10.097 -5.445 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.078 8.761 -5.439 1.00 0.00 N ATOM 0 H HIS B 34 2.389 6.143 -4.413 1.00 0.00 H new ATOM 0 HA HIS B 34 3.225 7.908 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.307 9.427 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.900 10.153 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.372 7.188 -4.856 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.722 10.793 -5.738 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.904 8.230 -5.715 1.00 0.00 H new ATOM 1281 N ASN B 35 5.478 7.139 -3.917 1.00 0.00 N ATOM 1282 CA ASN B 35 6.880 6.984 -3.530 1.00 0.00 C ATOM 1283 C ASN B 35 7.148 7.309 -2.051 1.00 0.00 C ATOM 1284 O ASN B 35 8.305 7.361 -1.639 1.00 0.00 O ATOM 1285 CB ASN B 35 7.844 7.631 -4.552 1.00 0.00 C ATOM 1286 CG ASN B 35 7.956 6.822 -5.848 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.094 6.015 -6.185 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.025 6.971 -6.611 1.00 0.00 N ATOM 0 H ASN B 35 5.070 6.235 -4.154 1.00 0.00 H new ATOM 0 HA ASN B 35 7.113 5.920 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.498 8.638 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN B 35 8.832 7.729 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN B 35 9.124 6.420 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.751 7.637 -6.347 1.00 0.00 H new ATOM 1295 N ASN B 36 6.121 7.523 -1.224 1.00 0.00 N ATOM 1296 CA ASN B 36 6.269 7.809 0.205 1.00 0.00 C ATOM 1297 C ASN B 36 6.754 6.517 0.881 1.00 0.00 C ATOM 1298 O ASN B 36 6.003 5.542 0.937 1.00 0.00 O ATOM 1299 CB ASN B 36 4.925 8.296 0.752 1.00 0.00 C ATOM 1300 CG ASN B 36 4.982 8.668 2.222 1.00 0.00 C ATOM 1301 OD1 ASN B 36 5.553 7.961 3.038 1.00 0.00 O ATOM 1302 ND2 ASN B 36 4.338 9.759 2.587 1.00 0.00 N ATOM 0 H ASN B 36 5.149 7.502 -1.533 1.00 0.00 H new ATOM 0 HA ASN B 36 6.997 8.596 0.401 1.00 0.00 H new ATOM 0 HB2 ASN B 36 4.597 9.162 0.176 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.177 7.516 0.609 1.00 0.00 H new ATOM 0 HD21 ASN B 36 4.309 10.029 3.570 1.00 0.00 H new ATOM 0 HD22 ASN B 36 3.869 10.333 1.886 1.00 0.00 H new ATOM 1309 N ILE B 37 8.011 6.470 1.338 1.00 0.00 N ATOM 1310 CA ILE B 37 8.609 5.297 1.969 1.00 0.00 C ATOM 1311 C ILE B 37 7.899 4.922 3.282 1.00 0.00 C ATOM 1312 O ILE B 37 7.661 3.739 3.519 1.00 0.00 O ATOM 1313 CB ILE B 37 10.147 5.465 2.111 1.00 0.00 C ATOM 1314 CG1 ILE B 37 10.881 4.186 2.580 1.00 0.00 C ATOM 1315 CG2 ILE B 37 10.567 6.600 3.054 1.00 0.00 C ATOM 1316 CD1 ILE B 37 10.978 3.095 1.511 1.00 0.00 C ATOM 0 H ILE B 37 8.649 7.263 1.276 1.00 0.00 H new ATOM 0 HA ILE B 37 8.456 4.441 1.312 1.00 0.00 H new ATOM 0 HB ILE B 37 10.446 5.706 1.091 1.00 0.00 H new ATOM 0 HG12 ILE B 37 11.887 4.455 2.902 1.00 0.00 H new ATOM 0 HG13 ILE B 37 10.365 3.782 3.451 1.00 0.00 H new ATOM 0 HG21 ILE B 37 11.655 6.652 3.099 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.174 7.546 2.682 1.00 0.00 H new ATOM 0 HG23 ILE B 37 10.171 6.409 4.052 1.00 0.00 H new ATOM 0 HD11 ILE B 37 11.506 2.233 1.918 1.00 0.00 H new ATOM 0 HD12 ILE B 37 9.976 2.796 1.205 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.522 3.479 0.648 1.00 0.00 H new ATOM 1328 N GLU B 38 7.558 5.893 4.138 1.00 0.00 N ATOM 1329 CA GLU B 38 6.890 5.662 5.424 1.00 0.00 C ATOM 1330 C GLU B 38 5.545 4.962 5.212 1.00 0.00 C ATOM 1331 O GLU B 38 5.234 3.952 5.848 1.00 0.00 O ATOM 1332 CB GLU B 38 6.656 7.010 6.136 1.00 0.00 C ATOM 1333 CG GLU B 38 7.902 7.579 6.828 1.00 0.00 C ATOM 1334 CD GLU B 38 8.287 6.822 8.106 1.00 0.00 C ATOM 1335 OE1 GLU B 38 7.413 6.250 8.794 1.00 0.00 O ATOM 1336 OE2 GLU B 38 9.494 6.741 8.427 1.00 0.00 O ATOM 0 H GLU B 38 7.742 6.879 3.953 1.00 0.00 H new ATOM 0 HA GLU B 38 7.528 5.025 6.037 1.00 0.00 H new ATOM 0 HB2 GLU B 38 6.295 7.736 5.407 1.00 0.00 H new ATOM 0 HB3 GLU B 38 5.867 6.885 6.878 1.00 0.00 H new ATOM 0 HG2 GLU B 38 8.740 7.551 6.132 1.00 0.00 H new ATOM 0 HG3 GLU B 38 7.726 8.626 7.074 1.00 0.00 H new ATOM 1343 N MET B 39 4.742 5.507 4.308 1.00 0.00 N ATOM 1344 CA MET B 39 3.431 5.014 3.939 1.00 0.00 C ATOM 1345 C MET B 39 3.578 3.612 3.350 1.00 0.00 C ATOM 1346 O MET B 39 2.898 2.684 3.789 1.00 0.00 O ATOM 1347 CB MET B 39 2.868 6.025 2.944 1.00 0.00 C ATOM 1348 CG MET B 39 1.410 5.857 2.552 1.00 0.00 C ATOM 1349 SD MET B 39 0.918 7.237 1.491 1.00 0.00 S ATOM 1350 CE MET B 39 -0.873 7.052 1.574 1.00 0.00 C ATOM 0 H MET B 39 5.004 6.345 3.790 1.00 0.00 H new ATOM 0 HA MET B 39 2.748 4.922 4.784 1.00 0.00 H new ATOM 0 HB2 MET B 39 2.995 7.023 3.364 1.00 0.00 H new ATOM 0 HB3 MET B 39 3.471 5.982 2.037 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.268 4.911 2.029 1.00 0.00 H new ATOM 0 HG3 MET B 39 0.783 5.826 3.443 1.00 0.00 H new ATOM 0 HE1 MET B 39 -1.350 7.905 1.092 1.00 0.00 H new ATOM 0 HE2 MET B 39 -1.168 6.135 1.064 1.00 0.00 H new ATOM 0 HE3 MET B 39 -1.186 7.003 2.617 1.00 0.00 H new ATOM 1360 N ALA B 40 4.503 3.438 2.398 1.00 0.00 N ATOM 1361 CA ALA B 40 4.765 2.162 1.752 1.00 0.00 C ATOM 1362 C ALA B 40 5.119 1.086 2.785 1.00 0.00 C ATOM 1363 O ALA B 40 4.608 -0.033 2.718 1.00 0.00 O ATOM 1364 CB ALA B 40 5.876 2.335 0.713 1.00 0.00 C ATOM 0 H ALA B 40 5.095 4.195 2.056 1.00 0.00 H new ATOM 0 HA ALA B 40 3.862 1.826 1.241 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.073 1.379 0.228 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.564 3.064 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.783 2.686 1.205 1.00 0.00 H new ATOM 1370 N LYS B 41 5.955 1.419 3.776 1.00 0.00 N ATOM 1371 CA LYS B 41 6.357 0.490 4.830 1.00 0.00 C ATOM 1372 C LYS B 41 5.146 -0.027 5.593 1.00 0.00 C ATOM 1373 O LYS B 41 5.129 -1.207 5.947 1.00 0.00 O ATOM 1374 CB LYS B 41 7.308 1.189 5.801 1.00 0.00 C ATOM 1375 CG LYS B 41 8.737 1.257 5.268 1.00 0.00 C ATOM 1376 CD LYS B 41 9.526 2.317 6.038 1.00 0.00 C ATOM 1377 CE LYS B 41 11.020 2.022 5.965 1.00 0.00 C ATOM 1378 NZ LYS B 41 11.416 0.937 6.891 1.00 0.00 N ATOM 0 H LYS B 41 6.372 2.346 3.866 1.00 0.00 H new ATOM 0 HA LYS B 41 6.861 -0.356 4.363 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.947 2.199 5.995 1.00 0.00 H new ATOM 0 HB3 LYS B 41 7.303 0.660 6.754 1.00 0.00 H new ATOM 0 HG2 LYS B 41 9.220 0.285 5.370 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.728 1.498 4.205 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.323 3.304 5.623 1.00 0.00 H new ATOM 0 HD3 LYS B 41 9.203 2.336 7.079 1.00 0.00 H new ATOM 0 HE2 LYS B 41 11.285 1.743 4.945 1.00 0.00 H new ATOM 0 HE3 LYS B 41 11.580 2.926 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 12.453 0.859 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 11.066 1.151 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 11.008 0.037 6.566 1.00 0.00 H new ATOM 1392 N ASN B 42 4.154 0.830 5.863 1.00 0.00 N ATOM 1393 CA ASN B 42 2.950 0.408 6.574 1.00 0.00 C ATOM 1394 C ASN B 42 2.204 -0.611 5.714 1.00 0.00 C ATOM 1395 O ASN B 42 1.722 -1.605 6.252 1.00 0.00 O ATOM 1396 CB ASN B 42 2.050 1.596 6.959 1.00 0.00 C ATOM 1397 CG ASN B 42 2.493 2.309 8.233 1.00 0.00 C ATOM 1398 OD1 ASN B 42 3.492 1.957 8.864 1.00 0.00 O ATOM 1399 ND2 ASN B 42 1.796 3.358 8.632 1.00 0.00 N ATOM 0 H ASN B 42 4.165 1.815 5.599 1.00 0.00 H new ATOM 0 HA ASN B 42 3.243 -0.056 7.516 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.037 2.312 6.137 1.00 0.00 H new ATOM 0 HB3 ASN B 42 1.028 1.240 7.088 1.00 0.00 H new ATOM 0 HD21 ASN B 42 2.084 3.876 9.462 1.00 0.00 H new ATOM 0 HD22 ASN B 42 0.969 3.650 8.110 1.00 0.00 H new ATOM 1406 N ILE B 43 2.123 -0.410 4.390 1.00 0.00 N ATOM 1407 CA ILE B 43 1.445 -1.352 3.491 1.00 0.00 C ATOM 1408 C ILE B 43 2.124 -2.722 3.654 1.00 0.00 C ATOM 1409 O ILE B 43 1.461 -3.737 3.879 1.00 0.00 O ATOM 1410 CB ILE B 43 1.454 -0.858 2.015 1.00 0.00 C ATOM 1411 CG1 ILE B 43 0.839 0.552 1.866 1.00 0.00 C ATOM 1412 CG2 ILE B 43 0.680 -1.841 1.133 1.00 0.00 C ATOM 1413 CD1 ILE B 43 0.975 1.183 0.476 1.00 0.00 C ATOM 0 H ILE B 43 2.521 0.402 3.918 1.00 0.00 H new ATOM 0 HA ILE B 43 0.391 -1.431 3.758 1.00 0.00 H new ATOM 0 HB ILE B 43 2.496 -0.804 1.699 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -0.220 0.497 2.120 1.00 0.00 H new ATOM 0 HG13 ILE B 43 1.308 1.214 2.595 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.690 -1.490 0.101 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.148 -2.824 1.186 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -0.350 -1.910 1.483 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.512 2.170 0.477 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.031 1.278 0.221 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.480 0.551 -0.261 1.00 0.00 H new ATOM 1425 N LEU B 44 3.461 -2.745 3.605 1.00 0.00 N ATOM 1426 CA LEU B 44 4.260 -3.961 3.747 1.00 0.00 C ATOM 1427 C LEU B 44 4.192 -4.598 5.135 1.00 0.00 C ATOM 1428 O LEU B 44 4.762 -5.670 5.316 1.00 0.00 O ATOM 1429 CB LEU B 44 5.743 -3.682 3.454 1.00 0.00 C ATOM 1430 CG LEU B 44 6.077 -3.232 2.029 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.600 -3.228 1.923 1.00 0.00 C ATOM 1432 CD2 LEU B 44 5.489 -4.162 0.966 1.00 0.00 C ATOM 0 H LEU B 44 4.023 -1.906 3.463 1.00 0.00 H new ATOM 0 HA LEU B 44 3.826 -4.654 3.026 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.091 -2.915 4.146 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.311 -4.587 3.670 1.00 0.00 H new ATOM 0 HG LEU B 44 5.645 -2.248 1.847 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.894 -2.913 0.922 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.014 -2.537 2.657 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.981 -4.231 2.114 1.00 0.00 H new ATOM 0 HD21 LEU B 44 5.756 -3.796 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU B 44 5.888 -5.167 1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 44 4.404 -4.186 1.064 1.00 0.00 H new ATOM 1444 N ARG B 45 3.573 -3.972 6.133 1.00 0.00 N ATOM 1445 CA ARG B 45 3.488 -4.529 7.480 1.00 0.00 C ATOM 1446 C ARG B 45 2.069 -4.964 7.810 1.00 0.00 C ATOM 1447 O ARG B 45 1.882 -5.979 8.488 1.00 0.00 O ATOM 1448 CB ARG B 45 3.987 -3.457 8.459 1.00 0.00 C ATOM 1449 CG ARG B 45 4.079 -3.983 9.896 1.00 0.00 C ATOM 1450 CD ARG B 45 4.445 -2.866 10.875 1.00 0.00 C ATOM 1451 NE ARG B 45 3.325 -1.938 11.003 1.00 0.00 N ATOM 1452 CZ ARG B 45 3.245 -0.855 11.762 1.00 0.00 C ATOM 1453 NH1 ARG B 45 4.267 -0.510 12.544 1.00 0.00 N ATOM 1454 NH2 ARG B 45 2.132 -0.134 11.691 1.00 0.00 N ATOM 0 H ARG B 45 3.117 -3.065 6.031 1.00 0.00 H new ATOM 0 HA ARG B 45 4.107 -5.423 7.556 1.00 0.00 H new ATOM 0 HB2 ARG B 45 4.968 -3.104 8.140 1.00 0.00 H new ATOM 0 HB3 ARG B 45 3.315 -2.600 8.430 1.00 0.00 H new ATOM 0 HG2 ARG B 45 3.126 -4.425 10.185 1.00 0.00 H new ATOM 0 HG3 ARG B 45 4.826 -4.775 9.948 1.00 0.00 H new ATOM 0 HD2 ARG B 45 4.692 -3.289 11.849 1.00 0.00 H new ATOM 0 HD3 ARG B 45 5.330 -2.336 10.523 1.00 0.00 H new ATOM 0 HE ARG B 45 2.502 -2.150 10.438 1.00 0.00 H new ATOM 0 HH11 ARG B 45 5.113 -1.080 12.559 1.00 0.00 H new ATOM 0 HH12 ARG B 45 4.204 0.324 13.128 1.00 0.00 H new ATOM 0 HH21 ARG B 45 1.377 -0.421 11.068 1.00 0.00 H new ATOM 0 HH22 ARG B 45 2.032 0.707 12.260 1.00 0.00 H new ATOM 1468 N GLU B 46 1.074 -4.246 7.295 1.00 0.00 N ATOM 1469 CA GLU B 46 -0.322 -4.528 7.556 1.00 0.00 C ATOM 1470 C GLU B 46 -0.921 -5.504 6.548 1.00 0.00 C ATOM 1471 O GLU B 46 -1.929 -6.131 6.879 1.00 0.00 O ATOM 1472 CB GLU B 46 -1.111 -3.213 7.573 1.00 0.00 C ATOM 1473 CG GLU B 46 -1.257 -2.584 8.969 1.00 0.00 C ATOM 1474 CD GLU B 46 0.009 -1.963 9.571 1.00 0.00 C ATOM 1475 OE1 GLU B 46 1.004 -2.679 9.780 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -0.026 -0.765 9.946 1.00 0.00 O ATOM 0 H GLU B 46 1.223 -3.446 6.680 1.00 0.00 H new ATOM 0 HA GLU B 46 -0.389 -5.012 8.530 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -0.618 -2.498 6.914 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -2.104 -3.393 7.162 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -2.025 -1.812 8.918 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -1.620 -3.351 9.653 1.00 0.00 H new ATOM 1483 N PHE B 47 -0.343 -5.655 5.355 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.837 -6.569 4.332 1.00 0.00 C ATOM 1485 C PHE B 47 0.208 -7.655 4.123 1.00 0.00 C ATOM 1486 O PHE B 47 0.002 -8.780 4.574 1.00 0.00 O ATOM 1487 CB PHE B 47 -1.157 -5.820 3.037 1.00 0.00 C ATOM 1488 CG PHE B 47 -2.438 -5.016 3.069 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.446 -3.673 3.499 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -3.620 -5.606 2.588 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.647 -2.945 3.479 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.819 -4.882 2.576 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.829 -3.555 3.027 1.00 0.00 C ATOM 0 H PHE B 47 0.490 -5.139 5.072 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.771 -7.030 4.655 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -0.329 -5.149 2.808 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -1.218 -6.541 2.222 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.534 -3.207 3.842 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.603 -6.623 2.226 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.662 -1.917 3.811 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.729 -5.343 2.222 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.753 -2.997 3.027 1.00 0.00 H new ATOM 1503 N SER B 48 1.292 -7.325 3.418 1.00 0.00 N ATOM 1504 CA SER B 48 2.374 -8.265 3.162 1.00 0.00 C ATOM 1505 C SER B 48 3.124 -8.524 4.472 1.00 0.00 C ATOM 1506 O SER B 48 2.908 -7.840 5.476 1.00 0.00 O ATOM 1507 CB SER B 48 3.298 -7.722 2.057 1.00 0.00 C ATOM 1508 OG SER B 48 2.678 -7.909 0.800 1.00 0.00 O ATOM 0 H SER B 48 1.440 -6.401 3.012 1.00 0.00 H new ATOM 0 HA SER B 48 1.977 -9.215 2.803 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.500 -6.664 2.223 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.258 -8.238 2.083 1.00 0.00 H new ATOM 0 HG SER B 48 3.359 -7.903 0.095 1.00 0.00 H new ATOM 1514 N GLY B 49 4.019 -9.509 4.462 1.00 0.00 N ATOM 1515 CA GLY B 49 4.814 -9.865 5.616 1.00 0.00 C ATOM 1516 C GLY B 49 6.218 -10.298 5.194 1.00 0.00 C ATOM 1517 O GLY B 49 6.459 -10.530 4.004 1.00 0.00 O ATOM 0 H GLY B 49 4.208 -10.083 3.640 1.00 0.00 H new ATOM 0 HA2 GLY B 49 4.879 -9.015 6.295 1.00 0.00 H new ATOM 0 HA3 GLY B 49 4.328 -10.673 6.163 1.00 0.00 H new ATOM 1521 N PRO B 50 7.144 -10.361 6.160 1.00 0.00 N ATOM 1522 CA PRO B 50 8.517 -10.774 5.932 1.00 0.00 C ATOM 1523 C PRO B 50 8.544 -12.299 5.778 1.00 0.00 C ATOM 1524 O PRO B 50 8.096 -13.025 6.669 1.00 0.00 O ATOM 1525 CB PRO B 50 9.264 -10.319 7.185 1.00 0.00 C ATOM 1526 CG PRO B 50 8.214 -10.394 8.290 1.00 0.00 C ATOM 1527 CD PRO B 50 6.910 -10.077 7.571 1.00 0.00 C ATOM 0 HA PRO B 50 8.967 -10.351 5.034 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.115 -10.966 7.399 1.00 0.00 H new ATOM 0 HB3 PRO B 50 9.653 -9.307 7.072 1.00 0.00 H new ATOM 0 HG2 PRO B 50 8.187 -11.381 8.751 1.00 0.00 H new ATOM 0 HG3 PRO B 50 8.417 -9.677 9.085 1.00 0.00 H new ATOM 0 HD2 PRO B 50 6.093 -10.685 7.960 1.00 0.00 H new ATOM 0 HD3 PRO B 50 6.629 -9.034 7.717 1.00 0.00 H new ATOM 1535 N SER B 51 9.068 -12.808 4.668 1.00 0.00 N ATOM 1536 CA SER B 51 9.133 -14.244 4.432 1.00 0.00 C ATOM 1537 C SER B 51 10.267 -14.924 5.203 1.00 0.00 C ATOM 1538 O SER B 51 10.334 -16.153 5.199 1.00 0.00 O ATOM 1539 CB SER B 51 9.234 -14.504 2.927 1.00 0.00 C ATOM 1540 OG SER B 51 10.205 -13.677 2.321 1.00 0.00 O ATOM 0 H SER B 51 9.456 -12.242 3.913 1.00 0.00 H new ATOM 0 HA SER B 51 8.215 -14.691 4.814 1.00 0.00 H new ATOM 0 HB2 SER B 51 9.487 -15.550 2.754 1.00 0.00 H new ATOM 0 HB3 SER B 51 8.264 -14.329 2.461 1.00 0.00 H new ATOM 0 HG SER B 51 10.245 -13.869 1.361 1.00 0.00 H new ATOM 1546 N SER B 52 11.151 -14.181 5.876 1.00 0.00 N ATOM 1547 CA SER B 52 12.260 -14.761 6.621 1.00 0.00 C ATOM 1548 C SER B 52 12.530 -14.015 7.932 1.00 0.00 C ATOM 1549 O SER B 52 12.118 -12.864 8.107 1.00 0.00 O ATOM 1550 CB SER B 52 13.482 -14.802 5.690 1.00 0.00 C ATOM 1551 OG SER B 52 13.804 -13.541 5.118 1.00 0.00 O ATOM 0 H SER B 52 11.113 -13.162 5.916 1.00 0.00 H new ATOM 0 HA SER B 52 12.012 -15.776 6.931 1.00 0.00 H new ATOM 0 HB2 SER B 52 14.343 -15.168 6.250 1.00 0.00 H new ATOM 0 HB3 SER B 52 13.295 -15.518 4.889 1.00 0.00 H new ATOM 0 HG SER B 52 14.589 -13.635 4.539 1.00 0.00 H new ATOM 1557 N GLY B 53 13.251 -14.666 8.846 1.00 0.00 N ATOM 1558 CA GLY B 53 13.630 -14.135 10.149 1.00 0.00 C ATOM 1559 C GLY B 53 15.028 -13.546 10.113 1.00 0.00 C ATOM 1560 O GLY B 53 15.404 -12.876 11.095 1.00 0.00 O ATOM 0 H GLY B 53 13.598 -15.612 8.690 1.00 0.00 H new ATOM 0 HA2 GLY B 53 12.917 -13.369 10.454 1.00 0.00 H new ATOM 0 HA3 GLY B 53 13.585 -14.928 10.895 1.00 0.00 H new TER 1564 GLY B 53