USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 743 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 HIS : no HD1:sc= 0.319 K(o=1.9,f=-1.5) USER MOD Set 3.2: A 68 SER OG : rot 90:sc= 0.436 USER MOD Set 3.3: A 73 TYR OH : rot 173:sc= 1.16 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0349 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=0.0049) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.205 K(o=-0.2,f=-0.92) USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.598 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 150:sc= 0.01 USER MOD Single : A 45 SER OG : rot 17:sc= 0.348 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.1! X(o=-2.1!,f=-2.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -120:sc= 0.0691 USER MOD Single : A 63 MET CE :methyl -154:sc= 0 (180deg=-0.0402) USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 70 SER OG : rot -42:sc= 1.11 USER MOD Single : A 71 THR OG1 : rot 69:sc= 0.184 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -140:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.916 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -77:sc= 1.34 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -0.939 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.259 -26.168 14.880 1.00 0.00 N ATOM 2 CA GLY A 1 -0.571 -25.795 13.658 1.00 0.00 C ATOM 3 C GLY A 1 -1.498 -25.156 12.642 1.00 0.00 C ATOM 4 O GLY A 1 -2.698 -25.429 12.629 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.032 -25.483 15.629 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.286 -26.171 14.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.953 -27.117 15.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.235 -25.101 13.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.111 -26.680 13.219 1.00 0.00 H new ATOM 8 N SER A 2 -0.941 -24.301 11.790 1.00 0.00 N ATOM 9 CA SER A 2 -1.727 -23.617 10.770 1.00 0.00 C ATOM 10 C SER A 2 -1.073 -23.755 9.398 1.00 0.00 C ATOM 11 O SER A 2 0.117 -23.489 9.236 1.00 0.00 O ATOM 12 CB SER A 2 -1.885 -22.138 11.125 1.00 0.00 C ATOM 13 OG SER A 2 -2.870 -21.521 10.314 1.00 0.00 O ATOM 0 H SER A 2 0.051 -24.066 11.786 1.00 0.00 H new ATOM 0 HA SER A 2 -2.712 -24.082 10.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.161 -22.040 12.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.931 -21.626 10.997 1.00 0.00 H new ATOM 0 HG SER A 2 -2.953 -20.577 10.562 1.00 0.00 H new ATOM 19 N SER A 3 -1.862 -24.173 8.414 1.00 0.00 N ATOM 20 CA SER A 3 -1.361 -24.351 7.056 1.00 0.00 C ATOM 21 C SER A 3 -1.715 -23.150 6.184 1.00 0.00 C ATOM 22 O SER A 3 -0.841 -22.519 5.592 1.00 0.00 O ATOM 23 CB SER A 3 -1.936 -25.629 6.440 1.00 0.00 C ATOM 24 OG SER A 3 -1.493 -26.777 7.143 1.00 0.00 O ATOM 0 H SER A 3 -2.851 -24.395 8.531 1.00 0.00 H new ATOM 0 HA SER A 3 -0.275 -24.436 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.025 -25.586 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.635 -25.700 5.395 1.00 0.00 H new ATOM 0 HG SER A 3 -1.875 -27.580 6.732 1.00 0.00 H new ATOM 30 N GLY A 4 -3.006 -22.839 6.111 1.00 0.00 N ATOM 31 CA GLY A 4 -3.455 -21.715 5.311 1.00 0.00 C ATOM 32 C GLY A 4 -4.394 -22.134 4.198 1.00 0.00 C ATOM 33 O GLY A 4 -5.432 -22.746 4.450 1.00 0.00 O ATOM 0 H GLY A 4 -3.749 -23.346 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.958 -20.993 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.590 -21.210 4.881 1.00 0.00 H new ATOM 37 N SER A 5 -4.031 -21.803 2.963 1.00 0.00 N ATOM 38 CA SER A 5 -4.852 -22.144 1.807 1.00 0.00 C ATOM 39 C SER A 5 -3.997 -22.727 0.686 1.00 0.00 C ATOM 40 O SER A 5 -2.836 -22.355 0.518 1.00 0.00 O ATOM 41 CB SER A 5 -5.600 -20.908 1.303 1.00 0.00 C ATOM 42 OG SER A 5 -4.699 -19.865 0.977 1.00 0.00 O ATOM 0 H SER A 5 -3.174 -21.299 2.737 1.00 0.00 H new ATOM 0 HA SER A 5 -5.577 -22.897 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.191 -21.170 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.298 -20.565 2.067 1.00 0.00 H new ATOM 0 HG SER A 5 -5.201 -19.087 0.656 1.00 0.00 H new ATOM 48 N SER A 6 -4.580 -23.644 -0.079 1.00 0.00 N ATOM 49 CA SER A 6 -3.872 -24.283 -1.182 1.00 0.00 C ATOM 50 C SER A 6 -3.987 -23.451 -2.456 1.00 0.00 C ATOM 51 O SER A 6 -5.086 -23.183 -2.939 1.00 0.00 O ATOM 52 CB SER A 6 -4.425 -25.688 -1.426 1.00 0.00 C ATOM 53 OG SER A 6 -4.061 -26.568 -0.376 1.00 0.00 O ATOM 0 H SER A 6 -5.541 -23.961 0.045 1.00 0.00 H new ATOM 0 HA SER A 6 -2.819 -24.357 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.511 -25.646 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.047 -26.072 -2.374 1.00 0.00 H new ATOM 0 HG SER A 6 -4.428 -27.459 -0.554 1.00 0.00 H new ATOM 59 N GLY A 7 -2.841 -23.044 -2.995 1.00 0.00 N ATOM 60 CA GLY A 7 -2.834 -22.246 -4.207 1.00 0.00 C ATOM 61 C GLY A 7 -3.385 -20.851 -3.986 1.00 0.00 C ATOM 62 O GLY A 7 -4.591 -20.627 -4.098 1.00 0.00 O ATOM 0 H GLY A 7 -1.918 -23.253 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.814 -22.175 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.424 -22.749 -4.973 1.00 0.00 H new ATOM 66 N LEU A 8 -2.501 -19.911 -3.671 1.00 0.00 N ATOM 67 CA LEU A 8 -2.905 -18.530 -3.432 1.00 0.00 C ATOM 68 C LEU A 8 -3.054 -17.771 -4.747 1.00 0.00 C ATOM 69 O LEU A 8 -2.130 -17.090 -5.190 1.00 0.00 O ATOM 70 CB LEU A 8 -1.884 -17.826 -2.537 1.00 0.00 C ATOM 71 CG LEU A 8 -2.425 -16.693 -1.664 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.005 -17.246 -0.371 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.330 -15.678 -1.369 1.00 0.00 C ATOM 0 H LEU A 8 -1.500 -20.080 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.872 -18.543 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.425 -18.571 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.092 -17.424 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.223 -16.189 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.385 -16.425 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.819 -17.934 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.227 -17.776 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.733 -14.879 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.511 -16.169 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.961 -15.258 -2.305 1.00 0.00 H new ATOM 85 N ALA A 9 -4.224 -17.892 -5.365 1.00 0.00 N ATOM 86 CA ALA A 9 -4.496 -17.215 -6.627 1.00 0.00 C ATOM 87 C ALA A 9 -4.803 -15.738 -6.401 1.00 0.00 C ATOM 88 O ALA A 9 -5.430 -15.353 -5.415 1.00 0.00 O ATOM 89 CB ALA A 9 -5.650 -17.891 -7.352 1.00 0.00 C ATOM 0 H ALA A 9 -4.999 -18.453 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.603 -17.284 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.841 -17.374 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.393 -18.931 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.543 -17.853 -6.729 1.00 0.00 H new ATOM 95 N PRO A 10 -4.350 -14.889 -7.337 1.00 0.00 N ATOM 96 CA PRO A 10 -4.565 -13.441 -7.262 1.00 0.00 C ATOM 97 C PRO A 10 -6.025 -13.059 -7.482 1.00 0.00 C ATOM 98 O PRO A 10 -6.598 -13.289 -8.547 1.00 0.00 O ATOM 99 CB PRO A 10 -3.693 -12.894 -8.395 1.00 0.00 C ATOM 100 CG PRO A 10 -3.580 -14.021 -9.363 1.00 0.00 C ATOM 101 CD PRO A 10 -3.595 -15.279 -8.539 1.00 0.00 C ATOM 0 HA PRO A 10 -4.312 -13.042 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.148 -12.019 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.713 -12.587 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.407 -14.010 -10.073 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.661 -13.946 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.078 -16.100 -9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.586 -15.609 -8.291 1.00 0.00 H new ATOM 109 N PRO A 11 -6.642 -12.461 -6.452 1.00 0.00 N ATOM 110 CA PRO A 11 -8.043 -12.034 -6.509 1.00 0.00 C ATOM 111 C PRO A 11 -8.251 -10.851 -7.448 1.00 0.00 C ATOM 112 O PRO A 11 -9.163 -10.854 -8.275 1.00 0.00 O ATOM 113 CB PRO A 11 -8.351 -11.631 -5.065 1.00 0.00 C ATOM 114 CG PRO A 11 -7.029 -11.263 -4.485 1.00 0.00 C ATOM 115 CD PRO A 11 -6.020 -12.156 -5.153 1.00 0.00 C ATOM 0 HA PRO A 11 -8.693 -12.820 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.047 -10.793 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.810 -12.452 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.802 -10.213 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.023 -11.407 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.059 -11.656 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.837 -13.060 -4.573 1.00 0.00 H new ATOM 123 N ARG A 12 -7.399 -9.839 -7.315 1.00 0.00 N ATOM 124 CA ARG A 12 -7.489 -8.649 -8.151 1.00 0.00 C ATOM 125 C ARG A 12 -6.110 -8.036 -8.377 1.00 0.00 C ATOM 126 O ARG A 12 -5.107 -8.532 -7.861 1.00 0.00 O ATOM 127 CB ARG A 12 -8.418 -7.617 -7.508 1.00 0.00 C ATOM 128 CG ARG A 12 -9.894 -7.907 -7.725 1.00 0.00 C ATOM 129 CD ARG A 12 -10.237 -7.972 -9.205 1.00 0.00 C ATOM 130 NE ARG A 12 -11.650 -7.698 -9.452 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.196 -7.687 -10.663 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.451 -7.934 -11.732 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.490 -7.430 -10.807 1.00 0.00 N ATOM 0 H ARG A 12 -6.638 -9.820 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.898 -8.945 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.218 -7.578 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.187 -6.631 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.154 -8.852 -7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.492 -7.133 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.627 -7.252 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.986 -8.960 -9.592 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.251 -7.504 -8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.456 -8.133 -11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.873 -7.925 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.067 -7.241 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.908 -7.422 -11.737 1.00 0.00 H new ATOM 147 N HIS A 13 -6.067 -6.956 -9.150 1.00 0.00 N ATOM 148 CA HIS A 13 -4.810 -6.276 -9.444 1.00 0.00 C ATOM 149 C HIS A 13 -4.698 -4.977 -8.653 1.00 0.00 C ATOM 150 O HIS A 13 -5.706 -4.384 -8.267 1.00 0.00 O ATOM 151 CB HIS A 13 -4.701 -5.986 -10.942 1.00 0.00 C ATOM 152 CG HIS A 13 -3.290 -5.951 -11.444 1.00 0.00 C ATOM 153 ND1 HIS A 13 -2.585 -7.085 -11.784 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.455 -4.909 -11.663 1.00 0.00 C ATOM 155 CE1 HIS A 13 -1.375 -6.743 -12.191 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.271 -5.428 -12.127 1.00 0.00 N ATOM 0 H HIS A 13 -6.887 -6.533 -9.584 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.992 -6.933 -9.148 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.255 -6.747 -11.492 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.177 -5.029 -11.154 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.678 -3.864 -11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.603 -7.423 -12.520 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.445 -4.886 -12.381 1.00 0.00 H new ATOM 165 N LEU A 14 -3.467 -4.540 -8.414 1.00 0.00 N ATOM 166 CA LEU A 14 -3.222 -3.310 -7.667 1.00 0.00 C ATOM 167 C LEU A 14 -2.921 -2.151 -8.611 1.00 0.00 C ATOM 168 O LEU A 14 -2.509 -2.357 -9.752 1.00 0.00 O ATOM 169 CB LEU A 14 -2.060 -3.505 -6.692 1.00 0.00 C ATOM 170 CG LEU A 14 -2.431 -4.001 -5.295 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.180 -4.258 -4.469 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.337 -2.998 -4.596 1.00 0.00 C ATOM 0 H LEU A 14 -2.622 -5.019 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.124 -3.070 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.358 -4.213 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.534 -2.556 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.973 -4.941 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.465 -4.610 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.568 -5.014 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.610 -3.334 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.591 -3.368 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.821 -2.042 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.249 -2.865 -5.178 1.00 0.00 H new ATOM 184 N GLY A 15 -3.127 -0.930 -8.126 1.00 0.00 N ATOM 185 CA GLY A 15 -2.870 0.244 -8.939 1.00 0.00 C ATOM 186 C GLY A 15 -2.384 1.422 -8.118 1.00 0.00 C ATOM 187 O GLY A 15 -3.007 1.795 -7.124 1.00 0.00 O ATOM 0 H GLY A 15 -3.467 -0.733 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.125 0.001 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.782 0.524 -9.466 1.00 0.00 H new ATOM 191 N PHE A 16 -1.266 2.010 -8.533 1.00 0.00 N ATOM 192 CA PHE A 16 -0.695 3.151 -7.828 1.00 0.00 C ATOM 193 C PHE A 16 -0.792 4.418 -8.674 1.00 0.00 C ATOM 194 O PHE A 16 -0.179 4.515 -9.737 1.00 0.00 O ATOM 195 CB PHE A 16 0.766 2.876 -7.467 1.00 0.00 C ATOM 196 CG PHE A 16 0.952 1.660 -6.605 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.861 1.752 -5.226 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.218 0.425 -7.175 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.031 0.635 -4.430 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.388 -0.695 -6.384 1.00 0.00 C ATOM 201 CZ PHE A 16 1.296 -0.590 -5.010 1.00 0.00 C ATOM 0 H PHE A 16 -0.738 1.715 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.266 3.302 -6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.342 2.753 -8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.174 3.744 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.655 2.708 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.293 0.337 -8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.957 0.720 -3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.593 -1.652 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.431 -1.464 -4.390 1.00 0.00 H new ATOM 211 N SER A 17 -1.567 5.385 -8.194 1.00 0.00 N ATOM 212 CA SER A 17 -1.749 6.644 -8.907 1.00 0.00 C ATOM 213 C SER A 17 -1.535 7.832 -7.974 1.00 0.00 C ATOM 214 O SER A 17 -1.755 7.736 -6.767 1.00 0.00 O ATOM 215 CB SER A 17 -3.148 6.709 -9.521 1.00 0.00 C ATOM 216 OG SER A 17 -3.326 7.905 -10.260 1.00 0.00 O ATOM 0 H SER A 17 -2.079 5.321 -7.314 1.00 0.00 H new ATOM 0 HA SER A 17 -1.008 6.692 -9.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.303 5.849 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.898 6.650 -8.732 1.00 0.00 H new ATOM 0 HG SER A 17 -4.228 7.921 -10.643 1.00 0.00 H new ATOM 222 N ASP A 18 -1.104 8.953 -8.544 1.00 0.00 N ATOM 223 CA ASP A 18 -0.861 10.161 -7.765 1.00 0.00 C ATOM 224 C ASP A 18 0.322 9.971 -6.821 1.00 0.00 C ATOM 225 O ASP A 18 0.421 10.636 -5.790 1.00 0.00 O ATOM 226 CB ASP A 18 -2.109 10.540 -6.968 1.00 0.00 C ATOM 227 CG ASP A 18 -3.384 10.369 -7.771 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.450 10.901 -8.900 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.314 9.703 -7.272 1.00 0.00 O ATOM 0 H ASP A 18 -0.916 9.049 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.623 10.968 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.164 9.925 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.026 11.576 -6.640 1.00 0.00 H new ATOM 234 N VAL A 19 1.218 9.057 -7.181 1.00 0.00 N ATOM 235 CA VAL A 19 2.395 8.778 -6.366 1.00 0.00 C ATOM 236 C VAL A 19 3.301 10.001 -6.272 1.00 0.00 C ATOM 237 O VAL A 19 3.590 10.651 -7.277 1.00 0.00 O ATOM 238 CB VAL A 19 3.204 7.596 -6.934 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.395 7.286 -6.040 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.315 6.372 -7.096 1.00 0.00 C ATOM 0 H VAL A 19 1.151 8.497 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 19 2.036 8.518 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 19 3.582 7.875 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.955 6.449 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.042 8.161 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.043 7.026 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.902 5.546 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.907 6.088 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.498 6.603 -7.780 1.00 0.00 H new ATOM 250 N SER A 20 3.746 10.308 -5.058 1.00 0.00 N ATOM 251 CA SER A 20 4.617 11.456 -4.832 1.00 0.00 C ATOM 252 C SER A 20 5.975 11.010 -4.299 1.00 0.00 C ATOM 253 O SER A 20 6.246 9.815 -4.179 1.00 0.00 O ATOM 254 CB SER A 20 3.966 12.431 -3.849 1.00 0.00 C ATOM 255 OG SER A 20 3.002 13.242 -4.498 1.00 0.00 O ATOM 0 H SER A 20 3.518 9.779 -4.216 1.00 0.00 H new ATOM 0 HA SER A 20 4.768 11.960 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.493 11.875 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.731 13.062 -3.397 1.00 0.00 H new ATOM 0 HG SER A 20 2.599 13.855 -3.848 1.00 0.00 H new ATOM 261 N HIS A 21 6.827 11.980 -3.981 1.00 0.00 N ATOM 262 CA HIS A 21 8.158 11.689 -3.460 1.00 0.00 C ATOM 263 C HIS A 21 8.116 11.479 -1.949 1.00 0.00 C ATOM 264 O HIS A 21 9.083 11.007 -1.352 1.00 0.00 O ATOM 265 CB HIS A 21 9.122 12.825 -3.802 1.00 0.00 C ATOM 266 CG HIS A 21 8.607 14.181 -3.429 1.00 0.00 C ATOM 267 ND1 HIS A 21 7.880 14.974 -4.291 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.716 14.883 -2.276 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.566 16.106 -3.686 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.061 16.075 -2.462 1.00 0.00 N ATOM 0 H HIS A 21 6.619 12.974 -4.075 1.00 0.00 H new ATOM 0 HA HIS A 21 8.511 10.770 -3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.069 12.652 -3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.328 12.806 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.224 14.564 -1.378 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.001 16.918 -4.119 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.971 16.817 -1.767 1.00 0.00 H new ATOM 279 N ASP A 22 6.991 11.833 -1.339 1.00 0.00 N ATOM 280 CA ASP A 22 6.823 11.684 0.102 1.00 0.00 C ATOM 281 C ASP A 22 5.475 11.050 0.429 1.00 0.00 C ATOM 282 O ASP A 22 4.990 11.146 1.556 1.00 0.00 O ATOM 283 CB ASP A 22 6.944 13.042 0.795 1.00 0.00 C ATOM 284 CG ASP A 22 6.011 14.079 0.202 1.00 0.00 C ATOM 285 OD1 ASP A 22 4.831 13.750 -0.034 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.463 15.221 -0.027 1.00 0.00 O ATOM 0 H ASP A 22 6.181 12.225 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 22 7.612 11.027 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.726 12.926 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.972 13.396 0.718 1.00 0.00 H new ATOM 291 N ALA A 23 4.874 10.403 -0.564 1.00 0.00 N ATOM 292 CA ALA A 23 3.582 9.753 -0.382 1.00 0.00 C ATOM 293 C ALA A 23 3.218 8.904 -1.595 1.00 0.00 C ATOM 294 O ALA A 23 3.813 9.045 -2.664 1.00 0.00 O ATOM 295 CB ALA A 23 2.502 10.791 -0.118 1.00 0.00 C ATOM 0 H ALA A 23 5.262 10.315 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 23 3.654 9.092 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.542 10.292 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.749 11.351 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.440 11.475 -0.964 1.00 0.00 H new ATOM 301 N ALA A 24 2.239 8.023 -1.423 1.00 0.00 N ATOM 302 CA ALA A 24 1.795 7.153 -2.506 1.00 0.00 C ATOM 303 C ALA A 24 0.393 6.616 -2.239 1.00 0.00 C ATOM 304 O ALA A 24 0.124 6.058 -1.175 1.00 0.00 O ATOM 305 CB ALA A 24 2.775 6.004 -2.695 1.00 0.00 C ATOM 0 H ALA A 24 1.738 7.892 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 24 1.762 7.743 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.431 5.362 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.760 6.402 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.837 5.423 -1.775 1.00 0.00 H new ATOM 311 N ARG A 25 -0.497 6.789 -3.210 1.00 0.00 N ATOM 312 CA ARG A 25 -1.872 6.323 -3.079 1.00 0.00 C ATOM 313 C ARG A 25 -2.037 4.936 -3.692 1.00 0.00 C ATOM 314 O ARG A 25 -1.617 4.691 -4.823 1.00 0.00 O ATOM 315 CB ARG A 25 -2.832 7.307 -3.749 1.00 0.00 C ATOM 316 CG ARG A 25 -4.298 7.005 -3.482 1.00 0.00 C ATOM 317 CD ARG A 25 -5.205 7.742 -4.455 1.00 0.00 C ATOM 318 NE ARG A 25 -6.544 7.162 -4.502 1.00 0.00 N ATOM 319 CZ ARG A 25 -7.560 7.709 -5.160 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.389 8.844 -5.824 1.00 0.00 N ATOM 321 NH2 ARG A 25 -8.749 7.121 -5.156 1.00 0.00 N ATOM 0 H ARG A 25 -0.290 7.249 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.109 6.262 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.608 8.315 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.658 7.296 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.470 5.932 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.549 7.291 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.274 8.790 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.764 7.717 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.708 6.288 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.476 9.299 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.170 9.262 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.884 6.247 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.528 7.542 -5.662 1.00 0.00 H new ATOM 335 N VAL A 26 -2.652 4.030 -2.938 1.00 0.00 N ATOM 336 CA VAL A 26 -2.873 2.667 -3.407 1.00 0.00 C ATOM 337 C VAL A 26 -4.362 2.365 -3.533 1.00 0.00 C ATOM 338 O VAL A 26 -5.120 2.511 -2.574 1.00 0.00 O ATOM 339 CB VAL A 26 -2.229 1.637 -2.461 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.467 2.022 -1.009 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.769 0.243 -2.746 1.00 0.00 C ATOM 0 H VAL A 26 -3.006 4.215 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.405 2.589 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.153 1.630 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.004 1.282 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.029 3.001 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.539 2.059 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.304 -0.473 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.849 0.234 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.542 -0.032 -3.776 1.00 0.00 H new ATOM 351 N PHE A 27 -4.775 1.941 -4.723 1.00 0.00 N ATOM 352 CA PHE A 27 -6.174 1.618 -4.976 1.00 0.00 C ATOM 353 C PHE A 27 -6.307 0.240 -5.618 1.00 0.00 C ATOM 354 O PHE A 27 -5.494 -0.145 -6.459 1.00 0.00 O ATOM 355 CB PHE A 27 -6.809 2.677 -5.880 1.00 0.00 C ATOM 356 CG PHE A 27 -6.276 2.665 -7.284 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.787 1.785 -8.225 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.266 3.533 -7.663 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.298 1.772 -9.517 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.773 3.525 -8.954 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.290 2.643 -9.883 1.00 0.00 C ATOM 0 H PHE A 27 -4.161 1.813 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.696 1.606 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.887 2.520 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.642 3.662 -5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.576 1.102 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.858 4.225 -6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.704 1.081 -10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.985 4.207 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.907 2.634 -10.893 1.00 0.00 H new ATOM 371 N TRP A 28 -7.335 -0.497 -5.215 1.00 0.00 N ATOM 372 CA TRP A 28 -7.574 -1.833 -5.751 1.00 0.00 C ATOM 373 C TRP A 28 -8.940 -1.913 -6.424 1.00 0.00 C ATOM 374 O TRP A 28 -9.790 -1.045 -6.228 1.00 0.00 O ATOM 375 CB TRP A 28 -7.480 -2.876 -4.636 1.00 0.00 C ATOM 376 CG TRP A 28 -8.180 -2.463 -3.376 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.374 -2.935 -2.910 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.729 -1.495 -2.423 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.693 -2.317 -1.725 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.700 -1.431 -1.404 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.600 -0.678 -2.329 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.573 -0.581 -0.308 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.475 0.166 -1.242 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.457 0.208 -0.243 1.00 0.00 C ATOM 0 H TRP A 28 -8.016 -0.193 -4.519 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.808 -2.040 -6.499 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.907 -3.815 -4.989 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.430 -3.067 -4.414 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.978 -3.684 -3.401 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.534 -2.490 -1.174 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.837 -0.705 -3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.328 -0.546 0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.607 0.803 -1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.330 0.877 0.595 1.00 0.00 H new ATOM 395 N GLU A 29 -9.143 -2.960 -7.218 1.00 0.00 N ATOM 396 CA GLU A 29 -10.406 -3.151 -7.920 1.00 0.00 C ATOM 397 C GLU A 29 -11.450 -3.779 -7.001 1.00 0.00 C ATOM 398 O GLU A 29 -12.478 -4.276 -7.460 1.00 0.00 O ATOM 399 CB GLU A 29 -10.201 -4.033 -9.154 1.00 0.00 C ATOM 400 CG GLU A 29 -9.348 -3.384 -10.231 1.00 0.00 C ATOM 401 CD GLU A 29 -7.872 -3.693 -10.070 1.00 0.00 C ATOM 402 OE1 GLU A 29 -7.538 -4.863 -9.790 1.00 0.00 O ATOM 403 OE2 GLU A 29 -7.050 -2.765 -10.225 1.00 0.00 O ATOM 0 H GLU A 29 -8.450 -3.688 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.767 -2.173 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.734 -4.969 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.174 -4.285 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.683 -3.727 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.495 -2.304 -10.204 1.00 0.00 H new ATOM 410 N GLY A 30 -11.178 -3.751 -5.700 1.00 0.00 N ATOM 411 CA GLY A 30 -12.102 -4.321 -4.737 1.00 0.00 C ATOM 412 C GLY A 30 -11.933 -5.820 -4.588 1.00 0.00 C ATOM 413 O GLY A 30 -10.898 -6.374 -4.955 1.00 0.00 O ATOM 0 H GLY A 30 -10.335 -3.344 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.953 -3.844 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.124 -4.103 -5.046 1.00 0.00 H new ATOM 417 N ALA A 31 -12.953 -6.478 -4.046 1.00 0.00 N ATOM 418 CA ALA A 31 -12.913 -7.921 -3.849 1.00 0.00 C ATOM 419 C ALA A 31 -14.235 -8.567 -4.250 1.00 0.00 C ATOM 420 O ALA A 31 -15.283 -7.922 -4.282 1.00 0.00 O ATOM 421 CB ALA A 31 -12.581 -8.248 -2.401 1.00 0.00 C ATOM 0 H ALA A 31 -13.817 -6.034 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.131 -8.328 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.555 -9.330 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.608 -7.828 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.342 -7.821 -1.748 1.00 0.00 H new ATOM 427 N PRO A 32 -14.188 -9.870 -4.562 1.00 0.00 N ATOM 428 CA PRO A 32 -15.374 -10.631 -4.967 1.00 0.00 C ATOM 429 C PRO A 32 -16.347 -10.843 -3.812 1.00 0.00 C ATOM 430 O PRO A 32 -17.462 -11.327 -4.009 1.00 0.00 O ATOM 431 CB PRO A 32 -14.795 -11.970 -5.431 1.00 0.00 C ATOM 432 CG PRO A 32 -13.505 -12.100 -4.697 1.00 0.00 C ATOM 433 CD PRO A 32 -12.972 -10.702 -4.545 1.00 0.00 C ATOM 0 HA PRO A 32 -15.950 -10.112 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.468 -12.795 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.640 -11.981 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.655 -12.568 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.804 -12.727 -5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.416 -10.583 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.294 -10.440 -5.357 1.00 0.00 H new ATOM 441 N ARG A 33 -15.920 -10.477 -2.608 1.00 0.00 N ATOM 442 CA ARG A 33 -16.754 -10.629 -1.423 1.00 0.00 C ATOM 443 C ARG A 33 -16.747 -9.352 -0.586 1.00 0.00 C ATOM 444 O ARG A 33 -15.790 -8.577 -0.600 1.00 0.00 O ATOM 445 CB ARG A 33 -16.268 -11.807 -0.578 1.00 0.00 C ATOM 446 CG ARG A 33 -14.959 -11.538 0.148 1.00 0.00 C ATOM 447 CD ARG A 33 -14.168 -12.819 0.364 1.00 0.00 C ATOM 448 NE ARG A 33 -15.037 -13.959 0.643 1.00 0.00 N ATOM 449 CZ ARG A 33 -15.696 -14.118 1.785 1.00 0.00 C ATOM 450 NH1 ARG A 33 -15.585 -13.216 2.750 1.00 0.00 N ATOM 451 NH2 ARG A 33 -16.468 -15.183 1.964 1.00 0.00 N ATOM 0 H ARG A 33 -15.001 -10.073 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.775 -10.823 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.035 -12.058 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.144 -12.678 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.361 -10.832 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.165 -11.070 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.569 -13.029 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.474 -12.681 1.193 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.144 -14.672 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.992 -12.397 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.093 -13.341 3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.555 -15.880 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.974 -15.305 2.841 1.00 0.00 H new ATOM 465 N PRO A 34 -17.839 -9.127 0.159 1.00 0.00 N ATOM 466 CA PRO A 34 -17.983 -7.946 1.016 1.00 0.00 C ATOM 467 C PRO A 34 -17.048 -7.986 2.220 1.00 0.00 C ATOM 468 O PRO A 34 -16.813 -9.045 2.801 1.00 0.00 O ATOM 469 CB PRO A 34 -19.443 -8.012 1.469 1.00 0.00 C ATOM 470 CG PRO A 34 -19.801 -9.456 1.382 1.00 0.00 C ATOM 471 CD PRO A 34 -19.017 -10.008 0.225 1.00 0.00 C ATOM 0 HA PRO A 34 -17.728 -7.026 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.560 -7.636 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.084 -7.406 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.551 -9.976 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.872 -9.584 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.733 -11.047 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.592 -9.979 -0.700 1.00 0.00 H new ATOM 479 N VAL A 35 -16.518 -6.824 2.590 1.00 0.00 N ATOM 480 CA VAL A 35 -15.610 -6.726 3.727 1.00 0.00 C ATOM 481 C VAL A 35 -16.099 -5.690 4.733 1.00 0.00 C ATOM 482 O VAL A 35 -16.812 -4.752 4.376 1.00 0.00 O ATOM 483 CB VAL A 35 -14.185 -6.356 3.277 1.00 0.00 C ATOM 484 CG1 VAL A 35 -14.229 -5.329 2.156 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.372 -5.838 4.454 1.00 0.00 C ATOM 0 H VAL A 35 -16.702 -5.938 2.119 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.590 -7.707 4.201 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.698 -7.254 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.213 -5.080 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.772 -5.741 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.734 -4.429 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.368 -5.581 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.854 -4.952 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.311 -6.609 5.222 1.00 0.00 H new ATOM 495 N ARG A 36 -15.711 -5.867 5.992 1.00 0.00 N ATOM 496 CA ARG A 36 -16.110 -4.947 7.050 1.00 0.00 C ATOM 497 C ARG A 36 -14.993 -3.955 7.359 1.00 0.00 C ATOM 498 O ARG A 36 -15.248 -2.783 7.636 1.00 0.00 O ATOM 499 CB ARG A 36 -16.482 -5.723 8.315 1.00 0.00 C ATOM 500 CG ARG A 36 -15.450 -6.763 8.718 1.00 0.00 C ATOM 501 CD ARG A 36 -15.469 -7.017 10.217 1.00 0.00 C ATOM 502 NE ARG A 36 -16.828 -7.029 10.752 1.00 0.00 N ATOM 503 CZ ARG A 36 -17.106 -7.115 12.048 1.00 0.00 C ATOM 504 NH1 ARG A 36 -16.126 -7.196 12.937 1.00 0.00 N ATOM 505 NH2 ARG A 36 -18.369 -7.120 12.458 1.00 0.00 N ATOM 0 H ARG A 36 -15.121 -6.639 6.304 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.981 -4.390 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.616 -5.019 9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -17.441 -6.217 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.645 -7.695 8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.457 -6.427 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.987 -7.971 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.887 -6.247 10.723 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.606 -6.968 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.154 -7.192 12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.344 -7.262 13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.126 -7.058 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.582 -7.186 13.453 1.00 0.00 H new ATOM 519 N LEU A 37 -13.754 -4.433 7.310 1.00 0.00 N ATOM 520 CA LEU A 37 -12.597 -3.589 7.585 1.00 0.00 C ATOM 521 C LEU A 37 -11.414 -3.984 6.706 1.00 0.00 C ATOM 522 O LEU A 37 -11.337 -5.113 6.222 1.00 0.00 O ATOM 523 CB LEU A 37 -12.207 -3.689 9.061 1.00 0.00 C ATOM 524 CG LEU A 37 -11.081 -2.763 9.522 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.622 -1.374 9.823 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.381 -3.341 10.743 1.00 0.00 C ATOM 0 H LEU A 37 -13.525 -5.401 7.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.867 -2.558 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.091 -3.482 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.913 -4.718 9.269 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.352 -2.680 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.806 -0.729 10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.076 -0.958 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.372 -1.439 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.583 -2.669 11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.100 -3.455 11.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.958 -4.314 10.493 1.00 0.00 H new ATOM 538 N VAL A 38 -10.493 -3.047 6.507 1.00 0.00 N ATOM 539 CA VAL A 38 -9.312 -3.297 5.690 1.00 0.00 C ATOM 540 C VAL A 38 -8.048 -2.798 6.382 1.00 0.00 C ATOM 541 O VAL A 38 -8.079 -1.808 7.112 1.00 0.00 O ATOM 542 CB VAL A 38 -9.429 -2.621 4.311 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.161 -2.839 3.499 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.647 -3.144 3.564 1.00 0.00 C ATOM 0 H VAL A 38 -10.542 -2.107 6.901 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.246 -4.376 5.553 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.555 -1.549 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.263 -2.354 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.311 -2.412 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.000 -3.907 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.715 -2.656 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.553 -4.221 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.547 -2.930 4.141 1.00 0.00 H new ATOM 554 N ARG A 39 -6.939 -3.491 6.147 1.00 0.00 N ATOM 555 CA ARG A 39 -5.664 -3.118 6.748 1.00 0.00 C ATOM 556 C ARG A 39 -4.539 -3.177 5.719 1.00 0.00 C ATOM 557 O ARG A 39 -4.382 -4.171 5.011 1.00 0.00 O ATOM 558 CB ARG A 39 -5.342 -4.042 7.925 1.00 0.00 C ATOM 559 CG ARG A 39 -5.700 -3.451 9.279 1.00 0.00 C ATOM 560 CD ARG A 39 -5.043 -4.221 10.414 1.00 0.00 C ATOM 561 NE ARG A 39 -5.776 -4.077 11.669 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.563 -4.840 12.735 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.644 -5.795 12.699 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.271 -4.649 13.841 1.00 0.00 N ATOM 0 H ARG A 39 -6.897 -4.313 5.545 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.748 -2.093 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.878 -4.982 7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.278 -4.277 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.386 -2.408 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.782 -3.463 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.982 -5.276 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.021 -3.867 10.548 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.490 -3.351 11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.098 -5.946 11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.483 -6.379 13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.979 -3.916 13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.107 -5.235 14.659 1.00 0.00 H new ATOM 578 N VAL A 40 -3.759 -2.103 5.641 1.00 0.00 N ATOM 579 CA VAL A 40 -2.648 -2.032 4.699 1.00 0.00 C ATOM 580 C VAL A 40 -1.316 -1.903 5.429 1.00 0.00 C ATOM 581 O VAL A 40 -1.242 -1.324 6.513 1.00 0.00 O ATOM 582 CB VAL A 40 -2.808 -0.845 3.732 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.707 -0.858 2.682 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.181 -0.873 3.077 1.00 0.00 C ATOM 0 H VAL A 40 -3.876 -1.271 6.219 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.657 -2.960 4.128 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.721 0.080 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.837 -0.011 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.736 -0.786 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.758 -1.786 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.277 -0.027 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.299 -1.802 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.952 -0.810 3.845 1.00 0.00 H new ATOM 594 N THR A 41 -0.262 -2.447 4.827 1.00 0.00 N ATOM 595 CA THR A 41 1.068 -2.394 5.419 1.00 0.00 C ATOM 596 C THR A 41 2.131 -2.122 4.361 1.00 0.00 C ATOM 597 O THR A 41 2.367 -2.947 3.478 1.00 0.00 O ATOM 598 CB THR A 41 1.411 -3.707 6.149 1.00 0.00 C ATOM 599 OG1 THR A 41 1.010 -4.828 5.355 1.00 0.00 O ATOM 600 CG2 THR A 41 0.724 -3.767 7.505 1.00 0.00 C ATOM 0 H THR A 41 -0.305 -2.929 3.929 1.00 0.00 H new ATOM 0 HA THR A 41 1.060 -1.577 6.140 1.00 0.00 H new ATOM 0 HB THR A 41 2.489 -3.740 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.776 -5.577 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.981 -4.703 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.054 -2.928 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.356 -3.713 7.368 1.00 0.00 H new ATOM 608 N TYR A 42 2.769 -0.961 4.455 1.00 0.00 N ATOM 609 CA TYR A 42 3.806 -0.580 3.504 1.00 0.00 C ATOM 610 C TYR A 42 5.182 -0.597 4.162 1.00 0.00 C ATOM 611 O TYR A 42 5.313 -0.354 5.362 1.00 0.00 O ATOM 612 CB TYR A 42 3.518 0.810 2.934 1.00 0.00 C ATOM 613 CG TYR A 42 3.241 1.854 3.992 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.067 1.825 4.733 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.155 2.868 4.252 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.809 2.777 5.701 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.906 3.823 5.218 1.00 0.00 C ATOM 618 CZ TYR A 42 2.732 3.773 5.940 1.00 0.00 C ATOM 619 OH TYR A 42 2.480 4.722 6.904 1.00 0.00 O ATOM 0 H TYR A 42 2.586 -0.267 5.180 1.00 0.00 H new ATOM 0 HA TYR A 42 3.803 -1.307 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.369 1.131 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.661 0.748 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.343 1.045 4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.076 2.910 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.890 2.741 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.627 4.605 5.407 1.00 0.00 H new ATOM 0 HH TYR A 42 3.230 5.351 6.948 1.00 0.00 H new ATOM 629 N VAL A 43 6.208 -0.884 3.367 1.00 0.00 N ATOM 630 CA VAL A 43 7.576 -0.931 3.871 1.00 0.00 C ATOM 631 C VAL A 43 8.573 -0.528 2.790 1.00 0.00 C ATOM 632 O VAL A 43 8.269 -0.583 1.599 1.00 0.00 O ATOM 633 CB VAL A 43 7.936 -2.337 4.386 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.815 -3.363 3.270 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.337 -2.344 4.978 1.00 0.00 C ATOM 0 H VAL A 43 6.118 -1.087 2.372 1.00 0.00 H new ATOM 0 HA VAL A 43 7.634 -0.223 4.698 1.00 0.00 H new ATOM 0 HB VAL A 43 7.232 -2.608 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.073 -4.350 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.791 -3.375 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.494 -3.100 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.575 -3.345 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.057 -2.052 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.385 -1.640 5.809 1.00 0.00 H new ATOM 645 N SER A 44 9.765 -0.122 3.215 1.00 0.00 N ATOM 646 CA SER A 44 10.807 0.295 2.285 1.00 0.00 C ATOM 647 C SER A 44 11.251 -0.872 1.407 1.00 0.00 C ATOM 648 O SER A 44 10.899 -0.946 0.230 1.00 0.00 O ATOM 649 CB SER A 44 12.007 0.858 3.048 1.00 0.00 C ATOM 650 OG SER A 44 12.580 -0.124 3.895 1.00 0.00 O ATOM 0 H SER A 44 10.033 -0.073 4.198 1.00 0.00 H new ATOM 0 HA SER A 44 10.395 1.074 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.756 1.215 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.694 1.717 3.642 1.00 0.00 H new ATOM 0 HG SER A 44 13.541 0.046 3.990 1.00 0.00 H new ATOM 656 N SER A 45 12.025 -1.782 1.990 1.00 0.00 N ATOM 657 CA SER A 45 12.520 -2.944 1.262 1.00 0.00 C ATOM 658 C SER A 45 13.187 -3.936 2.210 1.00 0.00 C ATOM 659 O SER A 45 14.086 -3.576 2.969 1.00 0.00 O ATOM 660 CB SER A 45 13.512 -2.510 0.181 1.00 0.00 C ATOM 661 OG SER A 45 14.710 -2.017 0.755 1.00 0.00 O ATOM 0 H SER A 45 12.323 -1.737 2.965 1.00 0.00 H new ATOM 0 HA SER A 45 11.669 -3.435 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.738 -3.355 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.060 -1.739 -0.443 1.00 0.00 H new ATOM 0 HG SER A 45 14.763 -2.298 1.692 1.00 0.00 H new ATOM 667 N GLU A 46 12.738 -5.186 2.160 1.00 0.00 N ATOM 668 CA GLU A 46 13.291 -6.230 3.016 1.00 0.00 C ATOM 669 C GLU A 46 13.643 -5.675 4.393 1.00 0.00 C ATOM 670 O GLU A 46 14.694 -5.989 4.950 1.00 0.00 O ATOM 671 CB GLU A 46 14.533 -6.846 2.369 1.00 0.00 C ATOM 672 CG GLU A 46 14.293 -7.363 0.960 1.00 0.00 C ATOM 673 CD GLU A 46 15.437 -8.216 0.449 1.00 0.00 C ATOM 674 OE1 GLU A 46 16.564 -7.689 0.334 1.00 0.00 O ATOM 675 OE2 GLU A 46 15.207 -9.409 0.163 1.00 0.00 O ATOM 0 H GLU A 46 11.994 -5.500 1.537 1.00 0.00 H new ATOM 0 HA GLU A 46 12.533 -7.003 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.327 -6.099 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.888 -7.667 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.373 -7.948 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.146 -6.518 0.287 1.00 0.00 H new ATOM 682 N GLY A 47 12.756 -4.847 4.936 1.00 0.00 N ATOM 683 CA GLY A 47 12.991 -4.261 6.242 1.00 0.00 C ATOM 684 C GLY A 47 13.296 -2.778 6.166 1.00 0.00 C ATOM 685 O GLY A 47 13.967 -2.322 5.241 1.00 0.00 O ATOM 0 H GLY A 47 11.879 -4.572 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.114 -4.417 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.823 -4.776 6.723 1.00 0.00 H new ATOM 689 N GLY A 48 12.800 -2.022 7.141 1.00 0.00 N ATOM 690 CA GLY A 48 13.033 -0.590 7.161 1.00 0.00 C ATOM 691 C GLY A 48 11.768 0.199 7.437 1.00 0.00 C ATOM 692 O GLY A 48 10.771 -0.355 7.900 1.00 0.00 O ATOM 0 H GLY A 48 12.241 -2.376 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.777 -0.357 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.450 -0.279 6.203 1.00 0.00 H new ATOM 696 N HIS A 49 11.809 1.498 7.155 1.00 0.00 N ATOM 697 CA HIS A 49 10.657 2.365 7.378 1.00 0.00 C ATOM 698 C HIS A 49 9.372 1.694 6.902 1.00 0.00 C ATOM 699 O HIS A 49 9.099 1.634 5.703 1.00 0.00 O ATOM 700 CB HIS A 49 10.849 3.698 6.654 1.00 0.00 C ATOM 701 CG HIS A 49 9.617 4.549 6.630 1.00 0.00 C ATOM 702 ND1 HIS A 49 9.112 5.111 5.477 1.00 0.00 N ATOM 703 CD2 HIS A 49 8.786 4.932 7.628 1.00 0.00 C ATOM 704 CE1 HIS A 49 8.025 5.804 5.766 1.00 0.00 C ATOM 705 NE2 HIS A 49 7.806 5.711 7.065 1.00 0.00 N ATOM 0 H HIS A 49 12.627 1.973 6.772 1.00 0.00 H new ATOM 0 HA HIS A 49 10.574 2.550 8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.654 4.252 7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.166 3.503 5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.877 4.673 8.672 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.419 6.353 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.034 6.147 7.568 1.00 0.00 H new ATOM 714 N SER A 50 8.587 1.191 7.849 1.00 0.00 N ATOM 715 CA SER A 50 7.333 0.521 7.527 1.00 0.00 C ATOM 716 C SER A 50 6.183 1.094 8.350 1.00 0.00 C ATOM 717 O SER A 50 6.389 1.616 9.445 1.00 0.00 O ATOM 718 CB SER A 50 7.455 -0.983 7.778 1.00 0.00 C ATOM 719 OG SER A 50 7.727 -1.252 9.142 1.00 0.00 O ATOM 0 H SER A 50 8.798 1.235 8.846 1.00 0.00 H new ATOM 0 HA SER A 50 7.120 0.690 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.531 -1.480 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.251 -1.395 7.157 1.00 0.00 H new ATOM 0 HG SER A 50 7.799 -2.220 9.277 1.00 0.00 H new ATOM 725 N GLY A 51 4.971 0.992 7.813 1.00 0.00 N ATOM 726 CA GLY A 51 3.806 1.504 8.510 1.00 0.00 C ATOM 727 C GLY A 51 2.618 0.566 8.421 1.00 0.00 C ATOM 728 O GLY A 51 2.766 -0.597 8.046 1.00 0.00 O ATOM 0 H GLY A 51 4.775 0.564 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.057 1.669 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.532 2.472 8.091 1.00 0.00 H new ATOM 732 N GLN A 52 1.440 1.072 8.769 1.00 0.00 N ATOM 733 CA GLN A 52 0.223 0.269 8.729 1.00 0.00 C ATOM 734 C GLN A 52 -1.013 1.145 8.907 1.00 0.00 C ATOM 735 O GLN A 52 -1.210 1.754 9.959 1.00 0.00 O ATOM 736 CB GLN A 52 0.261 -0.807 9.816 1.00 0.00 C ATOM 737 CG GLN A 52 -1.014 -1.630 9.901 1.00 0.00 C ATOM 738 CD GLN A 52 -1.033 -2.554 11.104 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.206 -3.458 11.220 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.980 -2.330 12.007 1.00 0.00 N ATOM 0 H GLN A 52 1.302 2.033 9.082 1.00 0.00 H new ATOM 0 HA GLN A 52 0.167 -0.213 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.102 -1.474 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.442 -0.332 10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.872 -0.960 9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.122 -2.221 8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.645 -1.569 11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.042 -2.919 12.837 1.00 0.00 H new ATOM 749 N THR A 53 -1.845 1.203 7.871 1.00 0.00 N ATOM 750 CA THR A 53 -3.061 2.005 7.912 1.00 0.00 C ATOM 751 C THR A 53 -4.288 1.161 7.587 1.00 0.00 C ATOM 752 O THR A 53 -4.273 0.364 6.650 1.00 0.00 O ATOM 753 CB THR A 53 -2.989 3.186 6.925 1.00 0.00 C ATOM 754 OG1 THR A 53 -3.932 4.196 7.300 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.273 2.722 5.504 1.00 0.00 C ATOM 0 H THR A 53 -1.698 0.704 6.994 1.00 0.00 H new ATOM 0 HA THR A 53 -3.149 2.393 8.927 1.00 0.00 H new ATOM 0 HB THR A 53 -1.981 3.600 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.879 4.944 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.217 3.573 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.536 1.975 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.271 2.285 5.456 1.00 0.00 H new ATOM 763 N GLU A 54 -5.348 1.341 8.368 1.00 0.00 N ATOM 764 CA GLU A 54 -6.583 0.594 8.163 1.00 0.00 C ATOM 765 C GLU A 54 -7.657 1.480 7.537 1.00 0.00 C ATOM 766 O GLU A 54 -7.625 2.702 7.673 1.00 0.00 O ATOM 767 CB GLU A 54 -7.087 0.023 9.490 1.00 0.00 C ATOM 768 CG GLU A 54 -8.599 -0.112 9.559 1.00 0.00 C ATOM 769 CD GLU A 54 -9.290 1.209 9.839 1.00 0.00 C ATOM 770 OE1 GLU A 54 -9.018 1.808 10.900 1.00 0.00 O ATOM 771 OE2 GLU A 54 -10.104 1.642 8.997 1.00 0.00 O ATOM 0 H GLU A 54 -5.376 1.997 9.148 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.371 -0.228 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.636 -0.956 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.750 0.666 10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.967 -0.518 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.861 -0.827 10.338 1.00 0.00 H new ATOM 778 N ALA A 55 -8.607 0.853 6.850 1.00 0.00 N ATOM 779 CA ALA A 55 -9.691 1.583 6.205 1.00 0.00 C ATOM 780 C ALA A 55 -10.972 0.757 6.183 1.00 0.00 C ATOM 781 O ALA A 55 -10.963 -0.453 6.412 1.00 0.00 O ATOM 782 CB ALA A 55 -9.292 1.980 4.792 1.00 0.00 C ATOM 0 H ALA A 55 -8.647 -0.159 6.726 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.883 2.486 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.111 2.525 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.407 2.616 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.071 1.085 4.211 1.00 0.00 H new ATOM 788 N PRO A 56 -12.102 1.423 5.900 1.00 0.00 N ATOM 789 CA PRO A 56 -13.412 0.768 5.841 1.00 0.00 C ATOM 790 C PRO A 56 -13.543 -0.160 4.639 1.00 0.00 C ATOM 791 O PRO A 56 -12.947 0.079 3.590 1.00 0.00 O ATOM 792 CB PRO A 56 -14.389 1.941 5.720 1.00 0.00 C ATOM 793 CG PRO A 56 -13.590 3.037 5.104 1.00 0.00 C ATOM 794 CD PRO A 56 -12.187 2.865 5.616 1.00 0.00 C ATOM 0 HA PRO A 56 -13.590 0.134 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.247 1.680 5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.778 2.234 6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.618 2.977 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.989 4.013 5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.449 3.173 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.010 3.462 6.511 1.00 0.00 H new ATOM 802 N GLY A 57 -14.328 -1.221 4.799 1.00 0.00 N ATOM 803 CA GLY A 57 -14.523 -2.170 3.718 1.00 0.00 C ATOM 804 C GLY A 57 -15.095 -1.521 2.474 1.00 0.00 C ATOM 805 O GLY A 57 -15.047 -2.096 1.387 1.00 0.00 O ATOM 0 H GLY A 57 -14.832 -1.440 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.570 -2.639 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.193 -2.963 4.051 1.00 0.00 H new ATOM 809 N ASN A 58 -15.641 -0.319 2.632 1.00 0.00 N ATOM 810 CA ASN A 58 -16.227 0.408 1.512 1.00 0.00 C ATOM 811 C ASN A 58 -15.180 1.274 0.818 1.00 0.00 C ATOM 812 O ASN A 58 -15.479 1.967 -0.154 1.00 0.00 O ATOM 813 CB ASN A 58 -17.388 1.280 1.995 1.00 0.00 C ATOM 814 CG ASN A 58 -16.921 2.441 2.852 1.00 0.00 C ATOM 815 OD1 ASN A 58 -16.320 3.393 2.354 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.197 2.367 4.149 1.00 0.00 N ATOM 0 H ASN A 58 -15.690 0.172 3.525 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.603 -0.321 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.933 1.664 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.086 0.668 2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.908 3.118 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.698 1.559 4.519 1.00 0.00 H new ATOM 823 N ALA A 59 -13.952 1.229 1.324 1.00 0.00 N ATOM 824 CA ALA A 59 -12.860 2.007 0.752 1.00 0.00 C ATOM 825 C ALA A 59 -12.021 1.158 -0.197 1.00 0.00 C ATOM 826 O ALA A 59 -11.405 0.173 0.213 1.00 0.00 O ATOM 827 CB ALA A 59 -11.989 2.586 1.857 1.00 0.00 C ATOM 0 H ALA A 59 -13.688 0.662 2.130 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.292 2.827 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.178 3.164 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.592 3.234 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.573 1.775 2.455 1.00 0.00 H new ATOM 833 N THR A 60 -12.000 1.546 -1.469 1.00 0.00 N ATOM 834 CA THR A 60 -11.237 0.820 -2.476 1.00 0.00 C ATOM 835 C THR A 60 -9.921 1.525 -2.784 1.00 0.00 C ATOM 836 O THR A 60 -9.305 1.285 -3.822 1.00 0.00 O ATOM 837 CB THR A 60 -12.039 0.662 -3.782 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.569 1.929 -4.188 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.175 -0.334 -3.602 1.00 0.00 C ATOM 0 H THR A 60 -12.503 2.359 -1.825 1.00 0.00 H new ATOM 0 HA THR A 60 -11.029 -0.167 -2.063 1.00 0.00 H new ATOM 0 HB THR A 60 -11.366 0.286 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.076 1.820 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.727 -0.429 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.767 -1.305 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.846 0.017 -2.818 1.00 0.00 H new ATOM 847 N SER A 61 -9.495 2.396 -1.875 1.00 0.00 N ATOM 848 CA SER A 61 -8.253 3.140 -2.051 1.00 0.00 C ATOM 849 C SER A 61 -7.822 3.795 -0.743 1.00 0.00 C ATOM 850 O SER A 61 -8.640 4.032 0.145 1.00 0.00 O ATOM 851 CB SER A 61 -8.421 4.205 -3.137 1.00 0.00 C ATOM 852 OG SER A 61 -9.569 5.000 -2.898 1.00 0.00 O ATOM 0 H SER A 61 -9.992 2.604 -1.009 1.00 0.00 H new ATOM 0 HA SER A 61 -7.478 2.438 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.535 4.840 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.504 3.725 -4.112 1.00 0.00 H new ATOM 0 HG SER A 61 -10.185 4.921 -3.656 1.00 0.00 H new ATOM 858 N ALA A 62 -6.530 4.085 -0.631 1.00 0.00 N ATOM 859 CA ALA A 62 -5.988 4.714 0.567 1.00 0.00 C ATOM 860 C ALA A 62 -4.656 5.396 0.275 1.00 0.00 C ATOM 861 O ALA A 62 -3.998 5.092 -0.720 1.00 0.00 O ATOM 862 CB ALA A 62 -5.824 3.685 1.675 1.00 0.00 C ATOM 0 H ALA A 62 -5.839 3.894 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.693 5.478 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.418 4.169 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.794 3.247 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.142 2.901 1.345 1.00 0.00 H new ATOM 868 N MET A 63 -4.266 6.320 1.147 1.00 0.00 N ATOM 869 CA MET A 63 -3.011 7.044 0.981 1.00 0.00 C ATOM 870 C MET A 63 -1.964 6.553 1.976 1.00 0.00 C ATOM 871 O MET A 63 -2.300 5.978 3.012 1.00 0.00 O ATOM 872 CB MET A 63 -3.237 8.547 1.162 1.00 0.00 C ATOM 873 CG MET A 63 -4.064 9.174 0.051 1.00 0.00 C ATOM 874 SD MET A 63 -3.637 10.902 -0.240 1.00 0.00 S ATOM 875 CE MET A 63 -2.140 10.723 -1.206 1.00 0.00 C ATOM 0 H MET A 63 -4.800 6.585 1.975 1.00 0.00 H new ATOM 0 HA MET A 63 -2.644 6.857 -0.028 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.735 8.719 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.270 9.048 1.212 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.919 8.608 -0.869 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.121 9.103 0.306 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.517 11.609 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.592 9.843 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.398 10.608 -2.259 1.00 0.00 H new ATOM 885 N LEU A 64 -0.696 6.783 1.655 1.00 0.00 N ATOM 886 CA LEU A 64 0.401 6.363 2.521 1.00 0.00 C ATOM 887 C LEU A 64 1.462 7.454 2.623 1.00 0.00 C ATOM 888 O LEU A 64 1.623 8.265 1.712 1.00 0.00 O ATOM 889 CB LEU A 64 1.028 5.072 1.993 1.00 0.00 C ATOM 890 CG LEU A 64 0.051 3.976 1.568 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.754 2.940 0.704 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.577 3.318 2.788 1.00 0.00 C ATOM 0 H LEU A 64 -0.401 7.258 0.802 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.003 6.182 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.658 5.321 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.683 4.668 2.765 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.743 4.433 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.043 2.168 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.155 3.422 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.569 2.487 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.270 2.540 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.205 2.875 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.116 4.067 3.368 1.00 0.00 H new ATOM 904 N GLY A 65 2.187 7.465 3.737 1.00 0.00 N ATOM 905 CA GLY A 65 3.226 8.458 3.936 1.00 0.00 C ATOM 906 C GLY A 65 3.285 8.957 5.367 1.00 0.00 C ATOM 907 O GLY A 65 2.483 8.567 6.216 1.00 0.00 O ATOM 0 H GLY A 65 2.073 6.804 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.191 8.030 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.052 9.301 3.267 1.00 0.00 H new ATOM 911 N PRO A 66 4.255 9.839 5.651 1.00 0.00 N ATOM 912 CA PRO A 66 5.215 10.310 4.648 1.00 0.00 C ATOM 913 C PRO A 66 6.195 9.220 4.227 1.00 0.00 C ATOM 914 O PRO A 66 6.664 8.438 5.056 1.00 0.00 O ATOM 915 CB PRO A 66 5.952 11.442 5.367 1.00 0.00 C ATOM 916 CG PRO A 66 5.824 11.118 6.815 1.00 0.00 C ATOM 917 CD PRO A 66 4.489 10.444 6.972 1.00 0.00 C ATOM 0 HA PRO A 66 4.722 10.621 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.998 11.489 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.509 12.411 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.632 10.464 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.879 12.021 7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.509 9.692 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.707 11.157 7.232 1.00 0.00 H new ATOM 925 N LEU A 67 6.501 9.172 2.935 1.00 0.00 N ATOM 926 CA LEU A 67 7.426 8.178 2.404 1.00 0.00 C ATOM 927 C LEU A 67 8.707 8.838 1.904 1.00 0.00 C ATOM 928 O LEU A 67 8.877 10.052 2.017 1.00 0.00 O ATOM 929 CB LEU A 67 6.766 7.394 1.268 1.00 0.00 C ATOM 930 CG LEU A 67 5.342 6.902 1.530 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.823 6.110 0.341 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.294 6.060 2.797 1.00 0.00 C ATOM 0 H LEU A 67 6.122 9.810 2.236 1.00 0.00 H new ATOM 0 HA LEU A 67 7.684 7.491 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.753 8.024 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.391 6.531 1.039 1.00 0.00 H new ATOM 0 HG LEU A 67 4.698 7.770 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.808 5.768 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.820 6.744 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.468 5.248 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.273 5.718 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.952 5.198 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.623 6.660 3.645 1.00 0.00 H new ATOM 944 N SER A 68 9.606 8.030 1.350 1.00 0.00 N ATOM 945 CA SER A 68 10.872 8.535 0.834 1.00 0.00 C ATOM 946 C SER A 68 10.787 8.784 -0.669 1.00 0.00 C ATOM 947 O SER A 68 9.747 8.558 -1.288 1.00 0.00 O ATOM 948 CB SER A 68 12.001 7.547 1.135 1.00 0.00 C ATOM 949 OG SER A 68 12.268 7.487 2.526 1.00 0.00 O ATOM 0 H SER A 68 9.480 7.023 1.247 1.00 0.00 H new ATOM 0 HA SER A 68 11.085 9.482 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.729 6.556 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.903 7.846 0.601 1.00 0.00 H new ATOM 0 HG SER A 68 11.709 6.795 2.937 1.00 0.00 H new ATOM 955 N SER A 69 11.888 9.251 -1.249 1.00 0.00 N ATOM 956 CA SER A 69 11.937 9.535 -2.678 1.00 0.00 C ATOM 957 C SER A 69 12.889 8.578 -3.389 1.00 0.00 C ATOM 958 O SER A 69 13.846 8.081 -2.795 1.00 0.00 O ATOM 959 CB SER A 69 12.376 10.981 -2.918 1.00 0.00 C ATOM 960 OG SER A 69 13.614 11.250 -2.282 1.00 0.00 O ATOM 0 H SER A 69 12.758 9.441 -0.751 1.00 0.00 H new ATOM 0 HA SER A 69 10.936 9.395 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.466 11.164 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.614 11.663 -2.541 1.00 0.00 H new ATOM 0 HG SER A 69 13.952 12.120 -2.579 1.00 0.00 H new ATOM 966 N SER A 70 12.619 8.324 -4.666 1.00 0.00 N ATOM 967 CA SER A 70 13.448 7.424 -5.458 1.00 0.00 C ATOM 968 C SER A 70 13.696 6.116 -4.713 1.00 0.00 C ATOM 969 O SER A 70 14.717 5.457 -4.912 1.00 0.00 O ATOM 970 CB SER A 70 14.782 8.091 -5.798 1.00 0.00 C ATOM 971 OG SER A 70 15.590 7.241 -6.593 1.00 0.00 O ATOM 0 H SER A 70 11.832 8.729 -5.174 1.00 0.00 H new ATOM 0 HA SER A 70 12.916 7.200 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.600 9.025 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.310 8.344 -4.879 1.00 0.00 H new ATOM 0 HG SER A 70 15.540 6.325 -6.248 1.00 0.00 H new ATOM 977 N THR A 71 12.753 5.745 -3.852 1.00 0.00 N ATOM 978 CA THR A 71 12.868 4.517 -3.075 1.00 0.00 C ATOM 979 C THR A 71 11.636 3.637 -3.253 1.00 0.00 C ATOM 980 O THR A 71 10.505 4.123 -3.239 1.00 0.00 O ATOM 981 CB THR A 71 13.058 4.817 -1.576 1.00 0.00 C ATOM 982 OG1 THR A 71 14.357 5.377 -1.350 1.00 0.00 O ATOM 983 CG2 THR A 71 12.894 3.552 -0.746 1.00 0.00 C ATOM 0 H THR A 71 11.901 6.278 -3.675 1.00 0.00 H new ATOM 0 HA THR A 71 13.746 3.988 -3.447 1.00 0.00 H new ATOM 0 HB THR A 71 12.295 5.534 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.397 6.277 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.033 3.789 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.895 3.144 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.637 2.816 -1.053 1.00 0.00 H new ATOM 991 N THR A 72 11.862 2.337 -3.420 1.00 0.00 N ATOM 992 CA THR A 72 10.771 1.389 -3.601 1.00 0.00 C ATOM 993 C THR A 72 10.083 1.082 -2.276 1.00 0.00 C ATOM 994 O THR A 72 10.738 0.947 -1.242 1.00 0.00 O ATOM 995 CB THR A 72 11.269 0.071 -4.224 1.00 0.00 C ATOM 996 OG1 THR A 72 11.909 0.334 -5.478 1.00 0.00 O ATOM 997 CG2 THR A 72 10.117 -0.900 -4.430 1.00 0.00 C ATOM 0 H THR A 72 12.792 1.918 -3.433 1.00 0.00 H new ATOM 0 HA THR A 72 10.057 1.856 -4.279 1.00 0.00 H new ATOM 0 HB THR A 72 11.985 -0.382 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.224 -0.508 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.494 -1.823 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.651 -1.120 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.380 -0.454 -5.097 1.00 0.00 H new ATOM 1005 N TYR A 73 8.760 0.973 -2.313 1.00 0.00 N ATOM 1006 CA TYR A 73 7.983 0.684 -1.113 1.00 0.00 C ATOM 1007 C TYR A 73 7.009 -0.465 -1.358 1.00 0.00 C ATOM 1008 O TYR A 73 6.135 -0.381 -2.222 1.00 0.00 O ATOM 1009 CB TYR A 73 7.216 1.929 -0.664 1.00 0.00 C ATOM 1010 CG TYR A 73 8.027 2.855 0.215 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.939 3.747 -0.336 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.882 2.837 1.597 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.682 4.594 0.463 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.620 3.681 2.404 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.519 4.557 1.832 1.00 0.00 C ATOM 1016 OH TYR A 73 10.257 5.399 2.633 1.00 0.00 O ATOM 0 H TYR A 73 8.203 1.080 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 73 8.676 0.388 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.882 2.477 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.322 1.619 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.069 3.779 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.180 2.151 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.386 5.281 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.494 3.655 3.476 1.00 0.00 H new ATOM 0 HH TYR A 73 9.939 5.333 3.558 1.00 0.00 H new ATOM 1026 N THR A 74 7.167 -1.539 -0.591 1.00 0.00 N ATOM 1027 CA THR A 74 6.304 -2.706 -0.724 1.00 0.00 C ATOM 1028 C THR A 74 5.013 -2.527 0.066 1.00 0.00 C ATOM 1029 O THR A 74 5.028 -2.471 1.296 1.00 0.00 O ATOM 1030 CB THR A 74 7.013 -3.987 -0.244 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.322 -4.067 -0.820 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.211 -5.223 -0.621 1.00 0.00 C ATOM 0 H THR A 74 7.885 -1.625 0.129 1.00 0.00 H new ATOM 0 HA THR A 74 6.068 -2.806 -1.783 1.00 0.00 H new ATOM 0 HB THR A 74 7.096 -3.945 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.767 -4.883 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.731 -6.115 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.226 -5.173 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.100 -5.268 -1.704 1.00 0.00 H new ATOM 1040 N VAL A 75 3.895 -2.440 -0.647 1.00 0.00 N ATOM 1041 CA VAL A 75 2.593 -2.270 -0.012 1.00 0.00 C ATOM 1042 C VAL A 75 1.812 -3.579 0.000 1.00 0.00 C ATOM 1043 O VAL A 75 1.995 -4.431 -0.869 1.00 0.00 O ATOM 1044 CB VAL A 75 1.757 -1.192 -0.727 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.449 -0.953 0.013 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.550 0.100 -0.855 1.00 0.00 C ATOM 0 H VAL A 75 3.864 -2.484 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 75 2.780 -1.953 1.014 1.00 0.00 H new ATOM 0 HB VAL A 75 1.520 -1.547 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.128 -0.188 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.124 -1.880 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.661 -0.620 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.944 0.850 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.819 0.462 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.456 -0.085 -1.432 1.00 0.00 H new ATOM 1056 N ARG A 76 0.940 -3.732 0.991 1.00 0.00 N ATOM 1057 CA ARG A 76 0.131 -4.938 1.118 1.00 0.00 C ATOM 1058 C ARG A 76 -1.261 -4.606 1.646 1.00 0.00 C ATOM 1059 O ARG A 76 -1.421 -4.211 2.801 1.00 0.00 O ATOM 1060 CB ARG A 76 0.815 -5.942 2.048 1.00 0.00 C ATOM 1061 CG ARG A 76 0.465 -7.389 1.745 1.00 0.00 C ATOM 1062 CD ARG A 76 1.571 -8.334 2.187 1.00 0.00 C ATOM 1063 NE ARG A 76 1.389 -8.785 3.565 1.00 0.00 N ATOM 1064 CZ ARG A 76 1.821 -8.108 4.623 1.00 0.00 C ATOM 1065 NH1 ARG A 76 2.458 -6.956 4.462 1.00 0.00 N ATOM 1066 NH2 ARG A 76 1.617 -8.583 5.845 1.00 0.00 N ATOM 0 H ARG A 76 0.776 -3.036 1.718 1.00 0.00 H new ATOM 0 HA ARG A 76 0.029 -5.382 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.895 -5.815 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.537 -5.718 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.464 -7.653 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.291 -7.506 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.596 -9.198 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.534 -7.833 2.094 1.00 0.00 H new ATOM 0 HE ARG A 76 0.904 -9.668 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.617 -6.588 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.789 -6.438 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.128 -9.469 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.949 -8.062 6.657 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.267 -4.768 0.791 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.646 -4.486 1.171 1.00 0.00 C ATOM 1082 C VAL A 77 -4.342 -5.741 1.686 1.00 0.00 C ATOM 1083 O VAL A 77 -4.844 -6.550 0.906 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.449 -3.916 -0.013 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.878 -3.610 0.409 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.770 -2.673 -0.568 1.00 0.00 C ATOM 0 H VAL A 77 -2.152 -5.093 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.609 -3.742 1.967 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.482 -4.667 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.430 -3.208 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.359 -4.525 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.870 -2.877 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.351 -2.284 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.704 -1.915 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.767 -2.928 -0.911 1.00 0.00 H new ATOM 1096 N THR A 78 -4.368 -5.897 3.006 1.00 0.00 N ATOM 1097 CA THR A 78 -5.002 -7.053 3.627 1.00 0.00 C ATOM 1098 C THR A 78 -6.421 -6.727 4.077 1.00 0.00 C ATOM 1099 O THR A 78 -6.623 -6.081 5.106 1.00 0.00 O ATOM 1100 CB THR A 78 -4.193 -7.554 4.838 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.823 -7.744 4.468 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.766 -8.859 5.369 1.00 0.00 C ATOM 0 H THR A 78 -3.957 -5.237 3.666 1.00 0.00 H new ATOM 0 HA THR A 78 -5.036 -7.838 2.872 1.00 0.00 H new ATOM 0 HB THR A 78 -4.255 -6.802 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.315 -8.061 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.178 -9.193 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.800 -8.704 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.731 -9.617 4.586 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.401 -7.178 3.301 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.803 -6.934 3.621 1.00 0.00 C ATOM 1112 C CYS A 79 -9.333 -7.989 4.586 1.00 0.00 C ATOM 1113 O CYS A 79 -9.366 -9.178 4.265 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.644 -6.924 2.344 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.028 -5.807 1.062 1.00 0.00 S ATOM 0 H CYS A 79 -7.250 -7.714 2.446 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.876 -5.959 4.103 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.684 -7.936 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.666 -6.641 2.597 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.804 -5.871 0.021 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.744 -7.548 5.769 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.271 -8.455 6.783 1.00 0.00 C ATOM 1123 C LEU A 80 -11.781 -8.614 6.639 1.00 0.00 C ATOM 1124 O LEU A 80 -12.544 -7.694 6.936 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.932 -7.940 8.183 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.535 -8.280 8.703 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.284 -9.778 8.619 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.475 -7.515 7.924 1.00 0.00 C ATOM 0 H LEU A 80 -9.723 -6.568 6.050 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.806 -9.430 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.045 -6.856 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.666 -8.340 8.883 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.475 -7.981 9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.285 -10.001 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.023 -10.305 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.364 -10.103 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.487 -7.769 8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.535 -7.783 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.643 -6.444 8.036 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.206 -9.787 6.183 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.626 -10.067 6.000 1.00 0.00 C ATOM 1142 C TYR A 81 -14.295 -10.386 7.334 1.00 0.00 C ATOM 1143 O TYR A 81 -13.684 -10.942 8.247 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.816 -11.234 5.030 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.206 -10.994 3.667 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.708 -10.011 2.823 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.127 -11.750 3.224 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -13.155 -9.789 1.577 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.567 -11.533 1.980 1.00 0.00 C ATOM 1150 CZ TYR A 81 -12.084 -10.553 1.160 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.530 -10.333 -0.080 1.00 0.00 O ATOM 0 H TYR A 81 -11.588 -10.559 5.933 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.095 -9.176 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.374 -12.131 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.882 -11.428 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.545 -9.410 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.720 -12.520 3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.558 -9.022 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.728 -12.128 1.651 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.302 -11.192 -0.493 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.581 -10.025 7.450 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.364 -10.263 8.667 1.00 0.00 C ATOM 1163 C PRO A 82 -16.657 -11.743 8.887 1.00 0.00 C ATOM 1164 O PRO A 82 -17.141 -12.139 9.947 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.662 -9.494 8.410 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.779 -9.434 6.926 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.372 -9.358 6.402 1.00 0.00 C ATOM 0 HA PRO A 82 -15.832 -9.942 9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.518 -10.002 8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.623 -8.495 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.292 -10.314 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.359 -8.565 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.273 -9.863 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.054 -8.326 6.254 1.00 0.00 H new ATOM 1175 N GLY A 83 -16.358 -12.558 7.879 1.00 0.00 N ATOM 1176 CA GLY A 83 -16.597 -13.986 7.984 1.00 0.00 C ATOM 1177 C GLY A 83 -15.432 -14.723 8.615 1.00 0.00 C ATOM 1178 O GLY A 83 -15.537 -15.220 9.736 1.00 0.00 O ATOM 0 H GLY A 83 -15.955 -12.255 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.496 -14.158 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -16.786 -14.394 6.991 1.00 0.00 H new ATOM 1182 N GLY A 84 -14.318 -14.796 7.893 1.00 0.00 N ATOM 1183 CA GLY A 84 -13.146 -15.481 8.404 1.00 0.00 C ATOM 1184 C GLY A 84 -11.952 -15.359 7.478 1.00 0.00 C ATOM 1185 O GLY A 84 -10.850 -15.032 7.914 1.00 0.00 O ATOM 0 H GLY A 84 -14.207 -14.393 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.887 -15.072 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.381 -16.535 8.552 1.00 0.00 H new ATOM 1189 N GLY A 85 -12.172 -15.625 6.194 1.00 0.00 N ATOM 1190 CA GLY A 85 -11.096 -15.540 5.224 1.00 0.00 C ATOM 1191 C GLY A 85 -10.500 -14.148 5.140 1.00 0.00 C ATOM 1192 O GLY A 85 -10.781 -13.294 5.980 1.00 0.00 O ATOM 0 H GLY A 85 -13.076 -15.898 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.314 -16.251 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.471 -15.831 4.243 1.00 0.00 H new ATOM 1196 N SER A 86 -9.673 -13.921 4.125 1.00 0.00 N ATOM 1197 CA SER A 86 -9.031 -12.625 3.938 1.00 0.00 C ATOM 1198 C SER A 86 -8.241 -12.593 2.633 1.00 0.00 C ATOM 1199 O SER A 86 -7.784 -13.627 2.146 1.00 0.00 O ATOM 1200 CB SER A 86 -8.104 -12.316 5.116 1.00 0.00 C ATOM 1201 OG SER A 86 -7.010 -13.216 5.154 1.00 0.00 O ATOM 0 H SER A 86 -9.432 -14.617 3.420 1.00 0.00 H new ATOM 0 HA SER A 86 -9.811 -11.865 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.735 -11.294 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.663 -12.379 6.049 1.00 0.00 H new ATOM 0 HG SER A 86 -6.432 -12.996 5.914 1.00 0.00 H new ATOM 1207 N SER A 87 -8.084 -11.398 2.073 1.00 0.00 N ATOM 1208 CA SER A 87 -7.353 -11.230 0.822 1.00 0.00 C ATOM 1209 C SER A 87 -6.126 -10.347 1.025 1.00 0.00 C ATOM 1210 O SER A 87 -6.170 -9.361 1.762 1.00 0.00 O ATOM 1211 CB SER A 87 -8.262 -10.622 -0.247 1.00 0.00 C ATOM 1212 OG SER A 87 -7.558 -10.419 -1.460 1.00 0.00 O ATOM 0 H SER A 87 -8.453 -10.532 2.465 1.00 0.00 H new ATOM 0 HA SER A 87 -7.021 -12.213 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.113 -11.280 -0.423 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.662 -9.672 0.108 1.00 0.00 H new ATOM 0 HG SER A 87 -8.162 -10.031 -2.128 1.00 0.00 H new ATOM 1218 N THR A 88 -5.029 -10.707 0.365 1.00 0.00 N ATOM 1219 CA THR A 88 -3.789 -9.949 0.472 1.00 0.00 C ATOM 1220 C THR A 88 -3.221 -9.627 -0.905 1.00 0.00 C ATOM 1221 O THR A 88 -2.904 -10.527 -1.684 1.00 0.00 O ATOM 1222 CB THR A 88 -2.730 -10.718 1.285 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.267 -11.094 2.558 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.482 -9.871 1.485 1.00 0.00 C ATOM 0 H THR A 88 -4.975 -11.519 -0.249 1.00 0.00 H new ATOM 0 HA THR A 88 -4.030 -9.020 0.989 1.00 0.00 H new ATOM 0 HB THR A 88 -2.456 -11.614 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.588 -11.584 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.748 -10.434 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.059 -9.611 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.743 -8.959 2.022 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.094 -8.338 -1.201 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.562 -7.896 -2.485 1.00 0.00 C ATOM 1234 C LEU A 89 -1.176 -7.282 -2.319 1.00 0.00 C ATOM 1235 O LEU A 89 -1.036 -6.159 -1.833 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.508 -6.881 -3.129 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.706 -7.462 -3.881 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -5.844 -6.455 -3.933 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.301 -7.886 -5.285 1.00 0.00 C ATOM 0 H LEU A 89 -3.352 -7.580 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.477 -8.768 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.881 -6.217 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.933 -6.267 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.054 -8.344 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.687 -6.887 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.153 -6.202 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.509 -5.553 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.166 -8.297 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.926 -7.021 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.520 -8.644 -5.225 1.00 0.00 H new ATOM 1251 N THR A 90 -0.152 -8.025 -2.727 1.00 0.00 N ATOM 1252 CA THR A 90 1.223 -7.554 -2.625 1.00 0.00 C ATOM 1253 C THR A 90 1.651 -6.825 -3.894 1.00 0.00 C ATOM 1254 O THR A 90 1.344 -7.259 -5.004 1.00 0.00 O ATOM 1255 CB THR A 90 2.198 -8.717 -2.361 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.252 -9.579 -3.504 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.770 -9.515 -1.138 1.00 0.00 C ATOM 0 H THR A 90 -0.250 -8.956 -3.132 1.00 0.00 H new ATOM 0 HA THR A 90 1.258 -6.863 -1.783 1.00 0.00 H new ATOM 0 HB THR A 90 3.187 -8.298 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.875 -10.315 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.473 -10.331 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.757 -8.863 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.773 -9.924 -1.301 1.00 0.00 H new ATOM 1265 N GLY A 91 2.362 -5.715 -3.722 1.00 0.00 N ATOM 1266 CA GLY A 91 2.821 -4.944 -4.863 1.00 0.00 C ATOM 1267 C GLY A 91 4.061 -4.130 -4.552 1.00 0.00 C ATOM 1268 O GLY A 91 4.780 -4.422 -3.596 1.00 0.00 O ATOM 0 H GLY A 91 2.628 -5.336 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.032 -5.619 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.024 -4.276 -5.190 1.00 0.00 H new ATOM 1272 N ARG A 92 4.315 -3.108 -5.362 1.00 0.00 N ATOM 1273 CA ARG A 92 5.479 -2.251 -5.170 1.00 0.00 C ATOM 1274 C ARG A 92 5.278 -0.900 -5.850 1.00 0.00 C ATOM 1275 O ARG A 92 4.755 -0.825 -6.962 1.00 0.00 O ATOM 1276 CB ARG A 92 6.734 -2.929 -5.721 1.00 0.00 C ATOM 1277 CG ARG A 92 7.113 -4.203 -4.981 1.00 0.00 C ATOM 1278 CD ARG A 92 8.399 -4.803 -5.528 1.00 0.00 C ATOM 1279 NE ARG A 92 8.669 -6.123 -4.965 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.815 -6.773 -5.133 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.792 -6.227 -5.844 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.986 -7.971 -4.589 1.00 0.00 N ATOM 0 H ARG A 92 3.730 -2.853 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 92 5.604 -2.085 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.578 -3.163 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.567 -2.228 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.234 -3.986 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.305 -4.930 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.331 -4.879 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.233 -4.137 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 92 7.938 -6.570 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.664 -5.306 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.671 -6.728 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.237 -8.394 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.867 -8.469 -4.719 1.00 0.00 H new ATOM 1296 N VAL A 93 5.696 0.165 -5.174 1.00 0.00 N ATOM 1297 CA VAL A 93 5.562 1.514 -5.713 1.00 0.00 C ATOM 1298 C VAL A 93 6.832 2.326 -5.482 1.00 0.00 C ATOM 1299 O VAL A 93 7.256 2.525 -4.343 1.00 0.00 O ATOM 1300 CB VAL A 93 4.369 2.255 -5.081 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.507 2.296 -3.567 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.253 3.660 -5.652 1.00 0.00 C ATOM 0 H VAL A 93 6.130 0.120 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 93 5.389 1.412 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 93 3.456 1.712 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.655 2.823 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.538 1.279 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.427 2.815 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.405 4.170 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.167 4.215 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.104 3.603 -6.730 1.00 0.00 H new ATOM 1312 N THR A 94 7.434 2.794 -6.570 1.00 0.00 N ATOM 1313 CA THR A 94 8.656 3.585 -6.487 1.00 0.00 C ATOM 1314 C THR A 94 8.341 5.066 -6.311 1.00 0.00 C ATOM 1315 O THR A 94 7.872 5.726 -7.238 1.00 0.00 O ATOM 1316 CB THR A 94 9.529 3.403 -7.743 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.858 2.020 -7.915 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.806 4.223 -7.638 1.00 0.00 C ATOM 0 H THR A 94 7.096 2.639 -7.520 1.00 0.00 H new ATOM 0 HA THR A 94 9.206 3.227 -5.616 1.00 0.00 H new ATOM 0 HB THR A 94 8.962 3.751 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.412 1.913 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.406 4.078 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.553 5.278 -7.536 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.375 3.901 -6.766 1.00 0.00 H new ATOM 1326 N THR A 95 8.604 5.584 -5.115 1.00 0.00 N ATOM 1327 CA THR A 95 8.348 6.987 -4.817 1.00 0.00 C ATOM 1328 C THR A 95 9.061 7.899 -5.810 1.00 0.00 C ATOM 1329 O THR A 95 10.113 7.549 -6.345 1.00 0.00 O ATOM 1330 CB THR A 95 8.799 7.350 -3.390 1.00 0.00 C ATOM 1331 OG1 THR A 95 10.034 6.692 -3.085 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.742 6.953 -2.371 1.00 0.00 C ATOM 0 H THR A 95 8.994 5.052 -4.337 1.00 0.00 H new ATOM 0 HA THR A 95 7.271 7.136 -4.899 1.00 0.00 H new ATOM 0 HB THR A 95 8.941 8.430 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.861 5.749 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.083 7.219 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.812 7.477 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.573 5.877 -2.422 1.00 0.00 H new ATOM 1340 N LYS A 96 8.481 9.069 -6.053 1.00 0.00 N ATOM 1341 CA LYS A 96 9.061 10.033 -6.980 1.00 0.00 C ATOM 1342 C LYS A 96 10.283 10.710 -6.368 1.00 0.00 C ATOM 1343 O LYS A 96 10.521 10.614 -5.164 1.00 0.00 O ATOM 1344 CB LYS A 96 8.022 11.088 -7.368 1.00 0.00 C ATOM 1345 CG LYS A 96 6.711 10.498 -7.858 1.00 0.00 C ATOM 1346 CD LYS A 96 6.014 11.427 -8.838 1.00 0.00 C ATOM 1347 CE LYS A 96 5.133 10.654 -9.808 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.398 11.560 -10.733 1.00 0.00 N ATOM 0 H LYS A 96 7.609 9.373 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 96 9.375 9.495 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.824 11.726 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.438 11.726 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.900 9.537 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.056 10.307 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.408 12.148 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.759 11.995 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.748 9.965 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.419 10.050 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.809 10.995 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.792 12.201 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.079 12.118 -11.286 1.00 0.00 H new ATOM 1362 N LYS A 97 11.055 11.396 -7.204 1.00 0.00 N ATOM 1363 CA LYS A 97 12.252 12.091 -6.746 1.00 0.00 C ATOM 1364 C LYS A 97 11.886 13.378 -6.013 1.00 0.00 C ATOM 1365 O LYS A 97 11.059 14.158 -6.484 1.00 0.00 O ATOM 1366 CB LYS A 97 13.167 12.409 -7.930 1.00 0.00 C ATOM 1367 CG LYS A 97 14.111 11.275 -8.291 1.00 0.00 C ATOM 1368 CD LYS A 97 13.381 10.147 -9.002 1.00 0.00 C ATOM 1369 CE LYS A 97 13.234 10.429 -10.489 1.00 0.00 C ATOM 1370 NZ LYS A 97 14.453 10.041 -11.250 1.00 0.00 N ATOM 0 H LYS A 97 10.873 11.486 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 97 12.780 11.436 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.553 12.650 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.753 13.298 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.908 11.654 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.583 10.891 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.925 9.213 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.395 10.013 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.374 9.884 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.034 11.490 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.313 10.249 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.269 10.579 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.630 9.023 -11.127 1.00 0.00 H new ATOM 1384 N ALA A 98 12.509 13.594 -4.859 1.00 0.00 N ATOM 1385 CA ALA A 98 12.251 14.788 -4.064 1.00 0.00 C ATOM 1386 C ALA A 98 12.952 16.005 -4.658 1.00 0.00 C ATOM 1387 O ALA A 98 14.012 15.902 -5.276 1.00 0.00 O ATOM 1388 CB ALA A 98 12.697 14.570 -2.625 1.00 0.00 C ATOM 0 H ALA A 98 13.196 12.958 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 98 11.178 14.978 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.499 15.470 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.147 13.732 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.765 14.352 -2.604 1.00 0.00 H new ATOM 1394 N PRO A 99 12.348 17.188 -4.468 1.00 0.00 N ATOM 1395 CA PRO A 99 12.897 18.448 -4.978 1.00 0.00 C ATOM 1396 C PRO A 99 14.166 18.867 -4.243 1.00 0.00 C ATOM 1397 O PRO A 99 15.084 19.427 -4.841 1.00 0.00 O ATOM 1398 CB PRO A 99 11.773 19.455 -4.721 1.00 0.00 C ATOM 1399 CG PRO A 99 11.002 18.879 -3.583 1.00 0.00 C ATOM 1400 CD PRO A 99 11.083 17.386 -3.741 1.00 0.00 C ATOM 0 HA PRO A 99 13.188 18.371 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.172 20.438 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.144 19.580 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.423 19.194 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.966 19.218 -3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.091 16.880 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.233 16.994 -4.300 1.00 0.00 H new ATOM 1408 N SER A 100 14.210 18.592 -2.943 1.00 0.00 N ATOM 1409 CA SER A 100 15.365 18.943 -2.126 1.00 0.00 C ATOM 1410 C SER A 100 15.319 18.223 -0.782 1.00 0.00 C ATOM 1411 O SER A 100 14.260 18.044 -0.180 1.00 0.00 O ATOM 1412 CB SER A 100 15.418 20.456 -1.905 1.00 0.00 C ATOM 1413 OG SER A 100 16.720 20.871 -1.529 1.00 0.00 O ATOM 0 H SER A 100 13.459 18.127 -2.433 1.00 0.00 H new ATOM 0 HA SER A 100 16.264 18.628 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.118 20.971 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.705 20.739 -1.131 1.00 0.00 H new ATOM 0 HG SER A 100 16.728 21.842 -1.395 1.00 0.00 H new ATOM 1419 N PRO A 101 16.496 17.799 -0.298 1.00 0.00 N ATOM 1420 CA PRO A 101 16.618 17.092 0.980 1.00 0.00 C ATOM 1421 C PRO A 101 16.344 18.000 2.174 1.00 0.00 C ATOM 1422 O PRO A 101 15.824 17.556 3.197 1.00 0.00 O ATOM 1423 CB PRO A 101 18.075 16.623 0.988 1.00 0.00 C ATOM 1424 CG PRO A 101 18.787 17.584 0.101 1.00 0.00 C ATOM 1425 CD PRO A 101 17.798 17.978 -0.962 1.00 0.00 C ATOM 0 HA PRO A 101 15.894 16.282 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 101 18.489 16.634 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 101 18.164 15.602 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 101 19.125 18.455 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.672 17.126 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 101 17.946 19.008 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 101 17.888 17.349 -1.848 1.00 0.00 H new ATOM 1433 N SER A 102 16.696 19.274 2.035 1.00 0.00 N ATOM 1434 CA SER A 102 16.491 20.245 3.104 1.00 0.00 C ATOM 1435 C SER A 102 15.294 21.141 2.801 1.00 0.00 C ATOM 1436 O SER A 102 14.906 21.309 1.645 1.00 0.00 O ATOM 1437 CB SER A 102 17.746 21.098 3.295 1.00 0.00 C ATOM 1438 OG SER A 102 18.021 21.867 2.137 1.00 0.00 O ATOM 0 H SER A 102 17.124 19.658 1.193 1.00 0.00 H new ATOM 0 HA SER A 102 16.289 19.698 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 102 17.613 21.759 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 102 18.597 20.454 3.518 1.00 0.00 H new ATOM 0 HG SER A 102 18.827 22.405 2.285 1.00 0.00 H new ATOM 1444 N SER A 103 14.711 21.714 3.850 1.00 0.00 N ATOM 1445 CA SER A 103 13.556 22.591 3.698 1.00 0.00 C ATOM 1446 C SER A 103 13.993 24.043 3.532 1.00 0.00 C ATOM 1447 O SER A 103 13.609 24.713 2.575 1.00 0.00 O ATOM 1448 CB SER A 103 12.628 22.461 4.908 1.00 0.00 C ATOM 1449 OG SER A 103 13.363 22.496 6.120 1.00 0.00 O ATOM 0 H SER A 103 15.020 21.586 4.814 1.00 0.00 H new ATOM 0 HA SER A 103 13.017 22.288 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.897 23.270 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.070 21.527 4.844 1.00 0.00 H new ATOM 0 HG SER A 103 12.748 22.413 6.878 1.00 0.00 H new ATOM 1455 N GLY A 104 14.801 24.522 4.473 1.00 0.00 N ATOM 1456 CA GLY A 104 15.278 25.892 4.414 1.00 0.00 C ATOM 1457 C GLY A 104 14.361 26.857 5.138 1.00 0.00 C ATOM 1458 O GLY A 104 13.535 26.463 5.962 1.00 0.00 O ATOM 0 H GLY A 104 15.134 23.986 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.275 25.945 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.371 26.197 3.372 1.00 0.00 H new ATOM 1462 N PRO A 105 14.501 28.155 4.831 1.00 0.00 N ATOM 1463 CA PRO A 105 13.687 29.207 5.448 1.00 0.00 C ATOM 1464 C PRO A 105 12.232 29.156 4.993 1.00 0.00 C ATOM 1465 O PRO A 105 11.931 29.375 3.820 1.00 0.00 O ATOM 1466 CB PRO A 105 14.352 30.499 4.967 1.00 0.00 C ATOM 1467 CG PRO A 105 15.027 30.126 3.692 1.00 0.00 C ATOM 1468 CD PRO A 105 15.465 28.697 3.858 1.00 0.00 C ATOM 0 HA PRO A 105 13.649 29.109 6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.616 31.288 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 105 15.068 30.872 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.348 30.230 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.880 30.776 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.431 28.154 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.489 28.631 4.227 1.00 0.00 H new ATOM 1476 N SER A 106 11.334 28.865 5.929 1.00 0.00 N ATOM 1477 CA SER A 106 9.911 28.782 5.623 1.00 0.00 C ATOM 1478 C SER A 106 9.095 29.618 6.605 1.00 0.00 C ATOM 1479 O SER A 106 9.601 30.051 7.640 1.00 0.00 O ATOM 1480 CB SER A 106 9.443 27.326 5.663 1.00 0.00 C ATOM 1481 OG SER A 106 8.134 27.197 5.138 1.00 0.00 O ATOM 0 H SER A 106 11.567 28.683 6.905 1.00 0.00 H new ATOM 0 HA SER A 106 9.756 29.178 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.131 26.704 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.464 26.962 6.690 1.00 0.00 H new ATOM 0 HG SER A 106 7.859 26.257 5.173 1.00 0.00 H new ATOM 1487 N SER A 107 7.827 29.841 6.271 1.00 0.00 N ATOM 1488 CA SER A 107 6.940 30.627 7.120 1.00 0.00 C ATOM 1489 C SER A 107 5.819 29.761 7.685 1.00 0.00 C ATOM 1490 O SER A 107 5.330 28.848 7.021 1.00 0.00 O ATOM 1491 CB SER A 107 6.348 31.796 6.330 1.00 0.00 C ATOM 1492 OG SER A 107 7.333 32.778 6.057 1.00 0.00 O ATOM 0 H SER A 107 7.392 29.488 5.419 1.00 0.00 H new ATOM 0 HA SER A 107 7.526 31.019 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.926 31.430 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.530 32.244 6.895 1.00 0.00 H new ATOM 0 HG SER A 107 6.930 33.513 5.550 1.00 0.00 H new ATOM 1498 N GLY A 108 5.417 30.053 8.918 1.00 0.00 N ATOM 1499 CA GLY A 108 4.357 29.293 9.554 1.00 0.00 C ATOM 1500 C GLY A 108 4.565 27.796 9.432 1.00 0.00 C ATOM 1501 O GLY A 108 3.728 27.009 9.874 1.00 0.00 O ATOM 0 H GLY A 108 5.807 30.803 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.301 29.564 10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.401 29.562 9.105 1.00 0.00 H new TER 1505 GLY A 108