USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 656 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 69 HIS : no HE2:sc= -1.37 K(o=-1.6,f=-3.2) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.26 K(o=-1.6,f=-4.1!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 88 GLN : amide:sc= -0.599 K(o=-0.6,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0187 (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 8 MET CE :methyl -151:sc= -0.0211 (180deg=-0.701) USER MOD Single : A 9 SER OG : rot 180:sc= -0.19 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.0011 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0561) USER MOD Single : A 31 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -61:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.27) USER MOD Single : A 48 SER OG : rot -90:sc= -1.99 USER MOD Single : A 49 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.56) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.82) USER MOD Single : A 63 ASN : amide:sc= -2.43! C(o=-2.4!,f=-17!) USER MOD Single : A 64 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -127:sc= -2.28! (180deg=-7.44!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.912 X(o=-0.91,f=-1) USER MOD Single : A 86 THR OG1 : rot 89:sc= 0.0341 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.617 -1.037 -25.898 1.00 0.00 N ATOM 2 CA GLY A 1 -15.752 -1.057 -24.730 1.00 0.00 C ATOM 3 C GLY A 1 -15.839 0.262 -23.961 1.00 0.00 C ATOM 4 O GLY A 1 -16.914 0.851 -23.851 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.143 -1.932 -25.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.288 -0.246 -25.820 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.040 -0.918 -26.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.036 -1.882 -24.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.722 -1.235 -25.039 1.00 0.00 H new ATOM 8 N SER A 2 -14.695 0.688 -23.448 1.00 0.00 N ATOM 9 CA SER A 2 -14.628 1.927 -22.691 1.00 0.00 C ATOM 10 C SER A 2 -13.170 2.352 -22.509 1.00 0.00 C ATOM 11 O SER A 2 -12.266 1.519 -22.560 1.00 0.00 O ATOM 12 CB SER A 2 -15.312 1.779 -21.330 1.00 0.00 C ATOM 13 OG SER A 2 -14.618 0.869 -20.481 1.00 0.00 O ATOM 0 H SER A 2 -13.806 0.197 -23.541 1.00 0.00 H new ATOM 0 HA SER A 2 -15.157 2.698 -23.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.371 2.754 -20.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.335 1.432 -21.474 1.00 0.00 H new ATOM 0 HG SER A 2 -15.084 0.803 -19.622 1.00 0.00 H new ATOM 19 N SER A 3 -12.985 3.647 -22.301 1.00 0.00 N ATOM 20 CA SER A 3 -11.652 4.192 -22.111 1.00 0.00 C ATOM 21 C SER A 3 -11.733 5.525 -21.363 1.00 0.00 C ATOM 22 O SER A 3 -12.644 6.318 -21.598 1.00 0.00 O ATOM 23 CB SER A 3 -10.937 4.378 -23.451 1.00 0.00 C ATOM 24 OG SER A 3 -9.521 4.301 -23.315 1.00 0.00 O ATOM 0 H SER A 3 -13.737 4.335 -22.260 1.00 0.00 H new ATOM 0 HA SER A 3 -11.074 3.484 -21.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.276 3.615 -24.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.208 5.344 -23.876 1.00 0.00 H new ATOM 0 HG SER A 3 -9.101 4.423 -24.192 1.00 0.00 H new ATOM 30 N GLY A 4 -10.768 5.730 -20.478 1.00 0.00 N ATOM 31 CA GLY A 4 -10.719 6.952 -19.695 1.00 0.00 C ATOM 32 C GLY A 4 -9.644 6.865 -18.610 1.00 0.00 C ATOM 33 O GLY A 4 -8.456 7.007 -18.895 1.00 0.00 O ATOM 0 H GLY A 4 -10.014 5.070 -20.286 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.513 7.799 -20.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.691 7.133 -19.236 1.00 0.00 H new ATOM 37 N SER A 5 -10.100 6.633 -17.388 1.00 0.00 N ATOM 38 CA SER A 5 -9.192 6.525 -16.258 1.00 0.00 C ATOM 39 C SER A 5 -9.284 5.127 -15.644 1.00 0.00 C ATOM 40 O SER A 5 -10.271 4.421 -15.844 1.00 0.00 O ATOM 41 CB SER A 5 -9.496 7.590 -15.203 1.00 0.00 C ATOM 42 OG SER A 5 -8.322 8.283 -14.789 1.00 0.00 O ATOM 0 H SER A 5 -11.086 6.517 -17.155 1.00 0.00 H new ATOM 0 HA SER A 5 -8.177 6.690 -16.619 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.215 8.304 -15.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.963 7.120 -14.338 1.00 0.00 H new ATOM 0 HG SER A 5 -8.559 8.955 -14.116 1.00 0.00 H new ATOM 48 N SER A 6 -8.242 4.769 -14.908 1.00 0.00 N ATOM 49 CA SER A 6 -8.194 3.468 -14.262 1.00 0.00 C ATOM 50 C SER A 6 -8.296 2.359 -15.312 1.00 0.00 C ATOM 51 O SER A 6 -8.815 2.580 -16.405 1.00 0.00 O ATOM 52 CB SER A 6 -9.312 3.324 -13.228 1.00 0.00 C ATOM 53 OG SER A 6 -9.452 4.494 -12.427 1.00 0.00 O ATOM 0 H SER A 6 -7.425 5.357 -14.745 1.00 0.00 H new ATOM 0 HA SER A 6 -7.241 3.380 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.253 3.119 -13.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.104 2.468 -12.586 1.00 0.00 H new ATOM 0 HG SER A 6 -10.177 4.363 -11.780 1.00 0.00 H new ATOM 59 N GLY A 7 -7.792 1.191 -14.943 1.00 0.00 N ATOM 60 CA GLY A 7 -7.820 0.047 -15.839 1.00 0.00 C ATOM 61 C GLY A 7 -8.233 -1.224 -15.093 1.00 0.00 C ATOM 62 O GLY A 7 -9.060 -1.993 -15.580 1.00 0.00 O ATOM 0 H GLY A 7 -7.362 1.012 -14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.517 0.237 -16.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.836 -0.093 -16.286 1.00 0.00 H new ATOM 66 N MET A 8 -7.638 -1.405 -13.923 1.00 0.00 N ATOM 67 CA MET A 8 -7.933 -2.569 -13.105 1.00 0.00 C ATOM 68 C MET A 8 -7.455 -2.364 -11.667 1.00 0.00 C ATOM 69 O MET A 8 -6.254 -2.365 -11.402 1.00 0.00 O ATOM 70 CB MET A 8 -7.247 -3.799 -13.702 1.00 0.00 C ATOM 71 CG MET A 8 -8.236 -4.957 -13.858 1.00 0.00 C ATOM 72 SD MET A 8 -7.553 -6.443 -13.144 1.00 0.00 S ATOM 73 CE MET A 8 -6.060 -6.595 -14.111 1.00 0.00 C ATOM 0 H MET A 8 -6.953 -0.765 -13.522 1.00 0.00 H new ATOM 0 HA MET A 8 -9.013 -2.716 -13.091 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.821 -3.547 -14.673 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.420 -4.106 -13.061 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.179 -4.709 -13.370 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.456 -5.119 -14.913 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.785 -7.647 -14.193 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.228 -6.186 -15.107 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.254 -6.046 -13.624 1.00 0.00 H new ATOM 83 N SER A 9 -8.420 -2.194 -10.775 1.00 0.00 N ATOM 84 CA SER A 9 -8.112 -1.988 -9.369 1.00 0.00 C ATOM 85 C SER A 9 -8.206 -3.315 -8.614 1.00 0.00 C ATOM 86 O SER A 9 -9.208 -4.021 -8.713 1.00 0.00 O ATOM 87 CB SER A 9 -9.051 -0.955 -8.745 1.00 0.00 C ATOM 88 OG SER A 9 -9.414 0.065 -9.672 1.00 0.00 O ATOM 0 H SER A 9 -9.415 -2.195 -10.998 1.00 0.00 H new ATOM 0 HA SER A 9 -7.094 -1.605 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.950 -1.454 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.568 -0.503 -7.879 1.00 0.00 H new ATOM 0 HG SER A 9 -10.015 0.704 -9.236 1.00 0.00 H new ATOM 94 N TYR A 10 -7.147 -3.615 -7.875 1.00 0.00 N ATOM 95 CA TYR A 10 -7.097 -4.845 -7.103 1.00 0.00 C ATOM 96 C TYR A 10 -6.599 -4.580 -5.681 1.00 0.00 C ATOM 97 O TYR A 10 -6.250 -3.450 -5.342 1.00 0.00 O ATOM 98 CB TYR A 10 -6.097 -5.753 -7.820 1.00 0.00 C ATOM 99 CG TYR A 10 -4.742 -5.096 -8.090 1.00 0.00 C ATOM 100 CD1 TYR A 10 -4.632 -4.110 -9.049 1.00 0.00 C ATOM 101 CD2 TYR A 10 -3.629 -5.489 -7.374 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.357 -3.491 -9.303 1.00 0.00 C ATOM 103 CE2 TYR A 10 -2.354 -4.870 -7.627 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.281 -3.902 -8.579 1.00 0.00 C ATOM 105 OH TYR A 10 -1.076 -3.317 -8.819 1.00 0.00 O ATOM 0 H TYR A 10 -6.317 -3.027 -7.795 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.088 -5.292 -7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.941 -6.650 -7.220 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.529 -6.074 -8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.503 -3.802 -9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.715 -6.261 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.257 -2.718 -10.051 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.476 -5.168 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.214 -2.394 -9.119 1.00 0.00 H new ATOM 115 N SER A 11 -6.581 -5.640 -4.887 1.00 0.00 N ATOM 116 CA SER A 11 -6.132 -5.536 -3.509 1.00 0.00 C ATOM 117 C SER A 11 -5.202 -6.704 -3.173 1.00 0.00 C ATOM 118 O SER A 11 -5.164 -7.700 -3.894 1.00 0.00 O ATOM 119 CB SER A 11 -7.318 -5.507 -2.543 1.00 0.00 C ATOM 120 OG SER A 11 -8.080 -6.710 -2.597 1.00 0.00 O ATOM 0 H SER A 11 -6.870 -6.576 -5.172 1.00 0.00 H new ATOM 0 HA SER A 11 -5.585 -4.600 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.954 -5.354 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.960 -4.660 -2.783 1.00 0.00 H new ATOM 0 HG SER A 11 -8.827 -6.653 -1.965 1.00 0.00 H new ATOM 126 N VAL A 12 -4.474 -6.543 -2.078 1.00 0.00 N ATOM 127 CA VAL A 12 -3.547 -7.571 -1.637 1.00 0.00 C ATOM 128 C VAL A 12 -3.819 -7.902 -0.168 1.00 0.00 C ATOM 129 O VAL A 12 -3.994 -7.002 0.652 1.00 0.00 O ATOM 130 CB VAL A 12 -2.107 -7.121 -1.891 1.00 0.00 C ATOM 131 CG1 VAL A 12 -1.144 -8.309 -1.837 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.991 -6.381 -3.226 1.00 0.00 C ATOM 0 H VAL A 12 -4.507 -5.715 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.693 -8.487 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.828 -6.427 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.127 -7.962 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.196 -8.775 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.422 -9.038 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.957 -6.072 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.298 -7.042 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.634 -5.501 -3.211 1.00 0.00 H new ATOM 142 N THR A 13 -3.846 -9.195 0.119 1.00 0.00 N ATOM 143 CA THR A 13 -4.094 -9.655 1.475 1.00 0.00 C ATOM 144 C THR A 13 -2.793 -10.134 2.122 1.00 0.00 C ATOM 145 O THR A 13 -2.245 -11.164 1.733 1.00 0.00 O ATOM 146 CB THR A 13 -5.177 -10.735 1.417 1.00 0.00 C ATOM 147 OG1 THR A 13 -6.326 -10.048 0.927 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.596 -11.219 2.806 1.00 0.00 C ATOM 0 H THR A 13 -3.700 -9.938 -0.564 1.00 0.00 H new ATOM 0 HA THR A 13 -4.456 -8.844 2.108 1.00 0.00 H new ATOM 0 HB THR A 13 -4.815 -11.581 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.076 -10.674 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.366 -11.984 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.732 -11.638 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.989 -10.380 3.380 1.00 0.00 H new ATOM 156 N LEU A 14 -2.337 -9.363 3.098 1.00 0.00 N ATOM 157 CA LEU A 14 -1.111 -9.695 3.803 1.00 0.00 C ATOM 158 C LEU A 14 -1.450 -10.139 5.227 1.00 0.00 C ATOM 159 O LEU A 14 -1.593 -9.309 6.123 1.00 0.00 O ATOM 160 CB LEU A 14 -0.124 -8.527 3.742 1.00 0.00 C ATOM 161 CG LEU A 14 0.180 -7.978 2.347 1.00 0.00 C ATOM 162 CD1 LEU A 14 0.977 -6.675 2.432 1.00 0.00 C ATOM 163 CD2 LEU A 14 0.887 -9.028 1.487 1.00 0.00 C ATOM 0 H LEU A 14 -2.795 -8.509 3.417 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.609 -10.532 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.516 -7.714 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.814 -8.845 4.198 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.766 -7.745 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.180 -6.306 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.401 -5.931 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.919 -6.858 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.092 -8.612 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.825 -9.315 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.248 -9.905 1.386 1.00 0.00 H new ATOM 175 N THR A 15 -1.570 -11.449 5.391 1.00 0.00 N ATOM 176 CA THR A 15 -1.891 -12.013 6.691 1.00 0.00 C ATOM 177 C THR A 15 -0.731 -11.798 7.666 1.00 0.00 C ATOM 178 O THR A 15 0.405 -12.168 7.377 1.00 0.00 O ATOM 179 CB THR A 15 -2.250 -13.487 6.491 1.00 0.00 C ATOM 180 OG1 THR A 15 -3.375 -13.454 5.616 1.00 0.00 O ATOM 181 CG2 THR A 15 -2.790 -14.137 7.767 1.00 0.00 C ATOM 0 H THR A 15 -1.451 -12.135 4.646 1.00 0.00 H new ATOM 0 HA THR A 15 -2.749 -11.512 7.139 1.00 0.00 H new ATOM 0 HB THR A 15 -1.370 -14.032 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.673 -14.369 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.029 -15.182 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.036 -14.079 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.690 -13.613 8.089 1.00 0.00 H new ATOM 189 N GLY A 16 -1.059 -11.201 8.803 1.00 0.00 N ATOM 190 CA GLY A 16 -0.060 -10.932 9.822 1.00 0.00 C ATOM 191 C GLY A 16 0.055 -12.103 10.800 1.00 0.00 C ATOM 192 O GLY A 16 -0.886 -12.880 10.957 1.00 0.00 O ATOM 0 H GLY A 16 -2.003 -10.896 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.906 -10.751 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.324 -10.025 10.365 1.00 0.00 H new ATOM 196 N PRO A 17 1.247 -12.196 11.449 1.00 0.00 N ATOM 197 CA PRO A 17 2.308 -11.234 11.205 1.00 0.00 C ATOM 198 C PRO A 17 2.983 -11.493 9.857 1.00 0.00 C ATOM 199 O PRO A 17 3.250 -12.640 9.502 1.00 0.00 O ATOM 200 CB PRO A 17 3.256 -11.388 12.383 1.00 0.00 C ATOM 201 CG PRO A 17 2.941 -12.741 12.999 1.00 0.00 C ATOM 202 CD PRO A 17 1.614 -13.214 12.428 1.00 0.00 C ATOM 0 HA PRO A 17 1.941 -10.210 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.295 -11.340 12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.112 -10.586 13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.731 -13.457 12.773 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.883 -12.662 14.085 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.711 -14.195 11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.857 -13.305 13.207 1.00 0.00 H new ATOM 210 N GLY A 18 3.240 -10.407 9.142 1.00 0.00 N ATOM 211 CA GLY A 18 3.879 -10.502 7.840 1.00 0.00 C ATOM 212 C GLY A 18 5.238 -11.197 7.946 1.00 0.00 C ATOM 213 O GLY A 18 5.320 -12.422 7.872 1.00 0.00 O ATOM 0 H GLY A 18 3.017 -9.457 9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.236 -11.055 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.008 -9.504 7.421 1.00 0.00 H new ATOM 217 N PRO A 19 6.298 -10.363 8.121 1.00 0.00 N ATOM 218 CA PRO A 19 6.113 -8.924 8.197 1.00 0.00 C ATOM 219 C PRO A 19 5.833 -8.333 6.814 1.00 0.00 C ATOM 220 O PRO A 19 5.888 -9.041 5.810 1.00 0.00 O ATOM 221 CB PRO A 19 7.395 -8.396 8.820 1.00 0.00 C ATOM 222 CG PRO A 19 8.430 -9.495 8.642 1.00 0.00 C ATOM 223 CD PRO A 19 7.695 -10.767 8.250 1.00 0.00 C ATOM 0 HA PRO A 19 5.248 -8.642 8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.716 -7.475 8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.250 -8.164 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.152 -9.219 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.989 -9.646 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.078 -11.173 7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.815 -11.543 9.006 1.00 0.00 H new ATOM 231 N TRP A 20 5.538 -7.041 6.807 1.00 0.00 N ATOM 232 CA TRP A 20 5.248 -6.347 5.564 1.00 0.00 C ATOM 233 C TRP A 20 6.562 -5.779 5.022 1.00 0.00 C ATOM 234 O TRP A 20 7.002 -4.711 5.446 1.00 0.00 O ATOM 235 CB TRP A 20 4.175 -5.277 5.770 1.00 0.00 C ATOM 236 CG TRP A 20 3.284 -5.517 6.991 1.00 0.00 C ATOM 237 CD1 TRP A 20 3.231 -4.807 8.126 1.00 0.00 C ATOM 238 CD2 TRP A 20 2.313 -6.573 7.153 1.00 0.00 C ATOM 239 NE1 TRP A 20 2.302 -5.326 9.004 1.00 0.00 N ATOM 240 CE2 TRP A 20 1.726 -6.434 8.394 1.00 0.00 C ATOM 241 CE3 TRP A 20 1.944 -7.611 6.280 1.00 0.00 C ATOM 242 CZ2 TRP A 20 0.735 -7.298 8.874 1.00 0.00 C ATOM 243 CZ3 TRP A 20 0.952 -8.466 6.774 1.00 0.00 C ATOM 244 CH2 TRP A 20 0.351 -8.340 8.021 1.00 0.00 C ATOM 0 H TRP A 20 5.494 -6.457 7.642 1.00 0.00 H new ATOM 0 HA TRP A 20 4.835 -7.035 4.826 1.00 0.00 H new ATOM 0 HB2 TRP A 20 4.659 -4.306 5.872 1.00 0.00 H new ATOM 0 HB3 TRP A 20 3.548 -5.229 4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.839 -3.938 8.328 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.079 -4.963 9.931 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.391 -7.739 5.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.290 -7.168 9.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.631 -9.281 6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -0.409 -9.043 8.331 1.00 0.00 H new ATOM 255 N GLY A 21 7.152 -6.519 4.095 1.00 0.00 N ATOM 256 CA GLY A 21 8.406 -6.103 3.491 1.00 0.00 C ATOM 257 C GLY A 21 8.159 -5.192 2.286 1.00 0.00 C ATOM 258 O GLY A 21 8.700 -5.426 1.206 1.00 0.00 O ATOM 0 H GLY A 21 6.784 -7.405 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.013 -5.579 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.972 -6.981 3.178 1.00 0.00 H new ATOM 262 N PHE A 22 7.343 -4.174 2.512 1.00 0.00 N ATOM 263 CA PHE A 22 7.018 -3.227 1.458 1.00 0.00 C ATOM 264 C PHE A 22 6.861 -1.813 2.021 1.00 0.00 C ATOM 265 O PHE A 22 6.156 -1.609 3.008 1.00 0.00 O ATOM 266 CB PHE A 22 5.686 -3.673 0.852 1.00 0.00 C ATOM 267 CG PHE A 22 4.457 -3.184 1.621 1.00 0.00 C ATOM 268 CD1 PHE A 22 4.028 -1.902 1.471 1.00 0.00 C ATOM 269 CD2 PHE A 22 3.794 -4.030 2.454 1.00 0.00 C ATOM 270 CE1 PHE A 22 2.887 -1.447 2.185 1.00 0.00 C ATOM 271 CE2 PHE A 22 2.654 -3.576 3.167 1.00 0.00 C ATOM 272 CZ PHE A 22 2.224 -2.294 3.018 1.00 0.00 C ATOM 0 H PHE A 22 6.897 -3.983 3.409 1.00 0.00 H new ATOM 0 HA PHE A 22 7.816 -3.207 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.627 -3.312 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.665 -4.762 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.555 -1.230 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.135 -5.048 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.546 -0.429 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.128 -4.249 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.357 -1.949 3.561 1.00 0.00 H new ATOM 282 N ARG A 23 7.529 -0.873 1.368 1.00 0.00 N ATOM 283 CA ARG A 23 7.472 0.516 1.791 1.00 0.00 C ATOM 284 C ARG A 23 6.425 1.277 0.975 1.00 0.00 C ATOM 285 O ARG A 23 5.921 0.766 -0.024 1.00 0.00 O ATOM 286 CB ARG A 23 8.832 1.198 1.626 1.00 0.00 C ATOM 287 CG ARG A 23 9.772 0.831 2.776 1.00 0.00 C ATOM 288 CD ARG A 23 11.232 0.853 2.319 1.00 0.00 C ATOM 289 NE ARG A 23 11.773 -0.524 2.285 1.00 0.00 N ATOM 290 CZ ARG A 23 13.081 -0.817 2.295 1.00 0.00 C ATOM 291 NH1 ARG A 23 13.988 0.168 2.336 1.00 0.00 N ATOM 292 NH2 ARG A 23 13.481 -2.096 2.262 1.00 0.00 N ATOM 0 H ARG A 23 8.112 -1.046 0.549 1.00 0.00 H new ATOM 0 HA ARG A 23 7.196 0.531 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.279 0.901 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.699 2.279 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.635 1.531 3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.520 -0.160 3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.305 1.306 1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.824 1.469 2.996 1.00 0.00 H new ATOM 0 HE ARG A 23 11.110 -1.298 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.683 1.141 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.983 -0.055 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.790 -2.846 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.476 -2.319 2.270 1.00 0.00 H new ATOM 306 N LEU A 24 6.130 2.485 1.430 1.00 0.00 N ATOM 307 CA LEU A 24 5.153 3.321 0.755 1.00 0.00 C ATOM 308 C LEU A 24 5.863 4.519 0.122 1.00 0.00 C ATOM 309 O LEU A 24 6.967 4.877 0.530 1.00 0.00 O ATOM 310 CB LEU A 24 4.026 3.711 1.714 1.00 0.00 C ATOM 311 CG LEU A 24 3.079 2.584 2.129 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.245 2.988 3.346 1.00 0.00 C ATOM 313 CD2 LEU A 24 2.203 2.143 0.954 1.00 0.00 C ATOM 0 H LEU A 24 6.551 2.905 2.259 1.00 0.00 H new ATOM 0 HA LEU A 24 4.675 2.769 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.472 4.134 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.437 4.501 1.249 1.00 0.00 H new ATOM 0 HG LEU A 24 3.680 1.724 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.580 2.169 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.907 3.213 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.653 3.870 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.539 1.341 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.609 2.988 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.836 1.786 0.142 1.00 0.00 H new ATOM 325 N GLN A 25 5.201 5.107 -0.864 1.00 0.00 N ATOM 326 CA GLN A 25 5.756 6.257 -1.557 1.00 0.00 C ATOM 327 C GLN A 25 4.724 7.386 -1.622 1.00 0.00 C ATOM 328 O GLN A 25 3.565 7.194 -1.258 1.00 0.00 O ATOM 329 CB GLN A 25 6.237 5.874 -2.958 1.00 0.00 C ATOM 330 CG GLN A 25 7.757 6.005 -3.070 1.00 0.00 C ATOM 331 CD GLN A 25 8.209 7.431 -2.749 1.00 0.00 C ATOM 332 OE1 GLN A 25 8.577 7.756 -1.632 1.00 0.00 O ATOM 333 NE2 GLN A 25 8.162 8.261 -3.787 1.00 0.00 N ATOM 0 H GLN A 25 4.285 4.808 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 25 6.621 6.612 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.939 4.850 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.758 6.514 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.237 5.305 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.076 5.737 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.844 7.924 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.444 9.235 -3.675 1.00 0.00 H new ATOM 342 N GLY A 26 5.184 8.538 -2.087 1.00 0.00 N ATOM 343 CA GLY A 26 4.316 9.697 -2.203 1.00 0.00 C ATOM 344 C GLY A 26 3.338 9.770 -1.030 1.00 0.00 C ATOM 345 O GLY A 26 3.678 9.394 0.091 1.00 0.00 O ATOM 0 H GLY A 26 6.146 8.693 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.918 10.605 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.762 9.648 -3.140 1.00 0.00 H new ATOM 349 N GLY A 27 2.141 10.256 -1.327 1.00 0.00 N ATOM 350 CA GLY A 27 1.111 10.383 -0.310 1.00 0.00 C ATOM 351 C GLY A 27 0.530 11.798 -0.292 1.00 0.00 C ATOM 352 O GLY A 27 0.983 12.669 -1.034 1.00 0.00 O ATOM 0 H GLY A 27 1.862 10.566 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.316 9.662 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.529 10.145 0.668 1.00 0.00 H new ATOM 356 N LYS A 28 -0.465 11.984 0.563 1.00 0.00 N ATOM 357 CA LYS A 28 -1.113 13.278 0.687 1.00 0.00 C ATOM 358 C LYS A 28 -0.070 14.333 1.062 1.00 0.00 C ATOM 359 O LYS A 28 -0.189 15.494 0.675 1.00 0.00 O ATOM 360 CB LYS A 28 -2.286 13.199 1.666 1.00 0.00 C ATOM 361 CG LYS A 28 -2.876 14.586 1.929 1.00 0.00 C ATOM 362 CD LYS A 28 -4.202 14.767 1.186 1.00 0.00 C ATOM 363 CE LYS A 28 -5.299 15.257 2.134 1.00 0.00 C ATOM 364 NZ LYS A 28 -4.968 16.601 2.659 1.00 0.00 N ATOM 0 H LYS A 28 -0.838 11.260 1.177 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.544 13.580 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.057 12.543 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.951 12.758 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.033 14.722 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.169 15.352 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.073 15.482 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.502 13.821 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.254 15.290 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.414 14.555 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.797 16.997 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.175 16.527 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.699 17.225 1.871 1.00 0.00 H new ATOM 378 N ASP A 29 0.930 13.890 1.810 1.00 0.00 N ATOM 379 CA ASP A 29 1.994 14.781 2.241 1.00 0.00 C ATOM 380 C ASP A 29 2.860 15.153 1.037 1.00 0.00 C ATOM 381 O ASP A 29 3.206 16.320 0.853 1.00 0.00 O ATOM 382 CB ASP A 29 2.892 14.104 3.279 1.00 0.00 C ATOM 383 CG ASP A 29 4.302 14.687 3.392 1.00 0.00 C ATOM 384 OD1 ASP A 29 4.420 15.921 3.229 1.00 0.00 O ATOM 385 OD2 ASP A 29 5.229 13.886 3.638 1.00 0.00 O ATOM 0 H ASP A 29 1.026 12.926 2.129 1.00 0.00 H new ATOM 0 HA ASP A 29 1.536 15.666 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.409 14.170 4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.971 13.045 3.033 1.00 0.00 H new ATOM 390 N PHE A 30 3.187 14.141 0.247 1.00 0.00 N ATOM 391 CA PHE A 30 4.007 14.348 -0.935 1.00 0.00 C ATOM 392 C PHE A 30 3.141 14.686 -2.150 1.00 0.00 C ATOM 393 O PHE A 30 3.594 14.577 -3.289 1.00 0.00 O ATOM 394 CB PHE A 30 4.747 13.035 -1.200 1.00 0.00 C ATOM 395 CG PHE A 30 5.980 12.827 -0.319 1.00 0.00 C ATOM 396 CD1 PHE A 30 7.156 13.429 -0.641 1.00 0.00 C ATOM 397 CD2 PHE A 30 5.900 12.039 0.787 1.00 0.00 C ATOM 398 CE1 PHE A 30 8.301 13.236 0.177 1.00 0.00 C ATOM 399 CE2 PHE A 30 7.045 11.846 1.605 1.00 0.00 C ATOM 400 CZ PHE A 30 8.221 12.449 1.283 1.00 0.00 C ATOM 0 H PHE A 30 2.899 13.175 0.402 1.00 0.00 H new ATOM 0 HA PHE A 30 4.695 15.177 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.058 12.204 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.052 13.006 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.219 14.054 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.966 11.560 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.235 13.714 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.982 11.220 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.091 12.303 1.906 1.00 0.00 H new ATOM 410 N ASN A 31 1.912 15.091 -1.867 1.00 0.00 N ATOM 411 CA ASN A 31 0.979 15.446 -2.923 1.00 0.00 C ATOM 412 C ASN A 31 1.109 14.443 -4.071 1.00 0.00 C ATOM 413 O ASN A 31 0.927 14.799 -5.234 1.00 0.00 O ATOM 414 CB ASN A 31 1.279 16.840 -3.477 1.00 0.00 C ATOM 415 CG ASN A 31 0.634 17.925 -2.612 1.00 0.00 C ATOM 416 OD1 ASN A 31 -0.270 18.631 -3.028 1.00 0.00 O ATOM 417 ND2 ASN A 31 1.147 18.018 -1.388 1.00 0.00 N ATOM 0 H ASN A 31 1.540 15.181 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.027 15.434 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.357 16.995 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.908 16.917 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.784 18.712 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.903 17.396 -1.103 1.00 0.00 H new ATOM 424 N MET A 32 1.422 13.209 -3.703 1.00 0.00 N ATOM 425 CA MET A 32 1.578 12.152 -4.688 1.00 0.00 C ATOM 426 C MET A 32 0.746 10.925 -4.311 1.00 0.00 C ATOM 427 O MET A 32 0.320 10.786 -3.165 1.00 0.00 O ATOM 428 CB MET A 32 3.053 11.759 -4.786 1.00 0.00 C ATOM 429 CG MET A 32 3.818 12.723 -5.694 1.00 0.00 C ATOM 430 SD MET A 32 4.024 12.004 -7.314 1.00 0.00 S ATOM 431 CE MET A 32 5.455 10.978 -7.019 1.00 0.00 C ATOM 0 H MET A 32 1.572 12.918 -2.737 1.00 0.00 H new ATOM 0 HA MET A 32 1.228 12.523 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.500 11.758 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.138 10.744 -5.174 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.279 13.667 -5.772 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.792 12.948 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.721 10.453 -7.936 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.291 11.602 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.228 10.252 -6.238 1.00 0.00 H new ATOM 441 N PRO A 33 0.533 10.042 -5.323 1.00 0.00 N ATOM 442 CA PRO A 33 -0.240 8.830 -5.110 1.00 0.00 C ATOM 443 C PRO A 33 0.569 7.793 -4.329 1.00 0.00 C ATOM 444 O PRO A 33 1.699 7.476 -4.698 1.00 0.00 O ATOM 445 CB PRO A 33 -0.624 8.358 -6.502 1.00 0.00 C ATOM 446 CG PRO A 33 0.332 9.054 -7.457 1.00 0.00 C ATOM 447 CD PRO A 33 1.021 10.172 -6.693 1.00 0.00 C ATOM 0 HA PRO A 33 -1.129 9.000 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.538 7.275 -6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.659 8.614 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.066 8.348 -7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.209 9.454 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.105 10.072 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.773 11.148 -7.110 1.00 0.00 H new ATOM 455 N LEU A 34 -0.039 7.294 -3.263 1.00 0.00 N ATOM 456 CA LEU A 34 0.611 6.300 -2.427 1.00 0.00 C ATOM 457 C LEU A 34 0.936 5.065 -3.270 1.00 0.00 C ATOM 458 O LEU A 34 0.054 4.260 -3.564 1.00 0.00 O ATOM 459 CB LEU A 34 -0.243 5.995 -1.194 1.00 0.00 C ATOM 460 CG LEU A 34 0.517 5.826 0.123 1.00 0.00 C ATOM 461 CD1 LEU A 34 0.517 7.128 0.927 1.00 0.00 C ATOM 462 CD2 LEU A 34 -0.040 4.653 0.931 1.00 0.00 C ATOM 0 H LEU A 34 -0.976 7.560 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 34 1.557 6.684 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.969 6.799 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.808 5.082 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 34 1.556 5.592 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.064 6.980 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.997 7.915 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.510 7.417 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.518 4.555 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.092 4.832 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.056 3.734 0.352 1.00 0.00 H new ATOM 474 N THR A 35 2.205 4.955 -3.635 1.00 0.00 N ATOM 475 CA THR A 35 2.658 3.832 -4.438 1.00 0.00 C ATOM 476 C THR A 35 3.611 2.948 -3.630 1.00 0.00 C ATOM 477 O THR A 35 4.208 3.401 -2.655 1.00 0.00 O ATOM 478 CB THR A 35 3.285 4.388 -5.718 1.00 0.00 C ATOM 479 OG1 THR A 35 4.034 5.517 -5.276 1.00 0.00 O ATOM 480 CG2 THR A 35 2.244 4.982 -6.669 1.00 0.00 C ATOM 0 H THR A 35 2.934 5.625 -3.389 1.00 0.00 H new ATOM 0 HA THR A 35 1.826 3.187 -4.720 1.00 0.00 H new ATOM 0 HB THR A 35 3.833 3.595 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.475 5.937 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.741 5.362 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.529 4.210 -6.953 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.719 5.797 -6.171 1.00 0.00 H new ATOM 488 N ILE A 36 3.723 1.702 -4.065 1.00 0.00 N ATOM 489 CA ILE A 36 4.593 0.750 -3.395 1.00 0.00 C ATOM 490 C ILE A 36 6.051 1.165 -3.600 1.00 0.00 C ATOM 491 O ILE A 36 6.640 0.880 -4.642 1.00 0.00 O ATOM 492 CB ILE A 36 4.288 -0.675 -3.861 1.00 0.00 C ATOM 493 CG1 ILE A 36 2.834 -1.050 -3.564 1.00 0.00 C ATOM 494 CG2 ILE A 36 5.273 -1.674 -3.251 1.00 0.00 C ATOM 495 CD1 ILE A 36 2.652 -1.413 -2.090 1.00 0.00 C ATOM 0 H ILE A 36 3.226 1.329 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 36 4.408 0.756 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 36 4.417 -0.715 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.180 -0.216 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.537 -1.892 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.034 -2.679 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.288 -1.417 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.200 -1.639 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.610 -1.675 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.289 -2.262 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.927 -0.561 -1.469 1.00 0.00 H new ATOM 507 N SER A 37 6.590 1.833 -2.591 1.00 0.00 N ATOM 508 CA SER A 37 7.968 2.291 -2.648 1.00 0.00 C ATOM 509 C SER A 37 8.879 1.151 -3.109 1.00 0.00 C ATOM 510 O SER A 37 9.376 1.165 -4.235 1.00 0.00 O ATOM 511 CB SER A 37 8.429 2.822 -1.289 1.00 0.00 C ATOM 512 OG SER A 37 9.847 2.950 -1.219 1.00 0.00 O ATOM 0 H SER A 37 6.098 2.068 -1.729 1.00 0.00 H new ATOM 0 HA SER A 37 8.027 3.109 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.968 3.792 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.086 2.150 -0.502 1.00 0.00 H new ATOM 0 HG SER A 37 10.101 3.293 -0.337 1.00 0.00 H new ATOM 518 N ARG A 38 9.072 0.192 -2.216 1.00 0.00 N ATOM 519 CA ARG A 38 9.915 -0.953 -2.518 1.00 0.00 C ATOM 520 C ARG A 38 9.346 -2.216 -1.869 1.00 0.00 C ATOM 521 O ARG A 38 8.398 -2.145 -1.088 1.00 0.00 O ATOM 522 CB ARG A 38 11.344 -0.731 -2.019 1.00 0.00 C ATOM 523 CG ARG A 38 12.273 -0.344 -3.172 1.00 0.00 C ATOM 524 CD ARG A 38 12.403 -1.488 -4.179 1.00 0.00 C ATOM 525 NE ARG A 38 13.628 -2.271 -3.899 1.00 0.00 N ATOM 526 CZ ARG A 38 14.870 -1.775 -3.974 1.00 0.00 C ATOM 527 NH1 ARG A 38 15.061 -0.495 -4.320 1.00 0.00 N ATOM 528 NH2 ARG A 38 15.922 -2.559 -3.703 1.00 0.00 N ATOM 0 H ARG A 38 8.659 0.184 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 38 9.935 -1.074 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.351 0.054 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.711 -1.639 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.887 0.544 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.257 -0.086 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.527 -2.135 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.440 -1.089 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 38 13.519 -3.249 -3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.260 0.102 -4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.007 -0.118 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.777 -3.534 -3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.868 -2.181 -3.760 1.00 0.00 H new ATOM 542 N ILE A 39 9.949 -3.344 -2.215 1.00 0.00 N ATOM 543 CA ILE A 39 9.514 -4.622 -1.676 1.00 0.00 C ATOM 544 C ILE A 39 10.737 -5.504 -1.419 1.00 0.00 C ATOM 545 O ILE A 39 11.680 -5.510 -2.208 1.00 0.00 O ATOM 546 CB ILE A 39 8.474 -5.265 -2.595 1.00 0.00 C ATOM 547 CG1 ILE A 39 7.171 -4.463 -2.595 1.00 0.00 C ATOM 548 CG2 ILE A 39 8.245 -6.731 -2.223 1.00 0.00 C ATOM 549 CD1 ILE A 39 6.314 -4.808 -3.815 1.00 0.00 C ATOM 0 H ILE A 39 10.735 -3.400 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 39 9.014 -4.481 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 39 8.862 -5.248 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.612 -4.671 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.396 -3.397 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.501 -7.164 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.181 -7.281 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.889 -6.794 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.394 -4.224 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.867 -4.576 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.070 -5.870 -3.800 1.00 0.00 H new ATOM 561 N THR A 40 10.680 -6.229 -0.311 1.00 0.00 N ATOM 562 CA THR A 40 11.772 -7.114 0.061 1.00 0.00 C ATOM 563 C THR A 40 11.617 -8.471 -0.629 1.00 0.00 C ATOM 564 O THR A 40 10.506 -8.985 -0.753 1.00 0.00 O ATOM 565 CB THR A 40 11.805 -7.208 1.587 1.00 0.00 C ATOM 566 OG1 THR A 40 12.380 -5.971 1.999 1.00 0.00 O ATOM 567 CG2 THR A 40 12.794 -8.263 2.087 1.00 0.00 C ATOM 0 H THR A 40 9.895 -6.222 0.341 1.00 0.00 H new ATOM 0 HA THR A 40 12.732 -6.722 -0.275 1.00 0.00 H new ATOM 0 HB THR A 40 10.807 -7.441 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.437 -5.947 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.778 -8.289 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.511 -9.241 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.798 -8.012 1.744 1.00 0.00 H new ATOM 575 N PRO A 41 12.776 -9.027 -1.071 1.00 0.00 N ATOM 576 CA PRO A 41 12.780 -10.314 -1.744 1.00 0.00 C ATOM 577 C PRO A 41 12.572 -11.456 -0.746 1.00 0.00 C ATOM 578 O PRO A 41 13.398 -11.668 0.140 1.00 0.00 O ATOM 579 CB PRO A 41 14.122 -10.383 -2.454 1.00 0.00 C ATOM 580 CG PRO A 41 15.005 -9.346 -1.779 1.00 0.00 C ATOM 581 CD PRO A 41 14.110 -8.447 -0.941 1.00 0.00 C ATOM 0 HA PRO A 41 11.962 -10.418 -2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.557 -11.379 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.013 -10.170 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.753 -9.831 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.544 -8.761 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.433 -8.426 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.132 -7.419 -1.302 1.00 0.00 H new ATOM 589 N GLY A 42 11.465 -12.161 -0.925 1.00 0.00 N ATOM 590 CA GLY A 42 11.138 -13.275 -0.051 1.00 0.00 C ATOM 591 C GLY A 42 9.932 -12.945 0.830 1.00 0.00 C ATOM 592 O GLY A 42 9.111 -13.816 1.115 1.00 0.00 O ATOM 0 H GLY A 42 10.783 -11.983 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.924 -14.161 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.997 -13.514 0.576 1.00 0.00 H new ATOM 596 N SER A 43 9.863 -11.686 1.237 1.00 0.00 N ATOM 597 CA SER A 43 8.770 -11.231 2.080 1.00 0.00 C ATOM 598 C SER A 43 7.429 -11.566 1.424 1.00 0.00 C ATOM 599 O SER A 43 7.369 -11.831 0.225 1.00 0.00 O ATOM 600 CB SER A 43 8.870 -9.728 2.347 1.00 0.00 C ATOM 601 OG SER A 43 8.641 -8.960 1.168 1.00 0.00 O ATOM 0 H SER A 43 10.546 -10.967 0.999 1.00 0.00 H new ATOM 0 HA SER A 43 8.838 -11.748 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.144 -9.446 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.858 -9.495 2.745 1.00 0.00 H new ATOM 0 HG SER A 43 9.317 -9.184 0.495 1.00 0.00 H new ATOM 607 N LYS A 44 6.386 -11.543 2.241 1.00 0.00 N ATOM 608 CA LYS A 44 5.049 -11.841 1.755 1.00 0.00 C ATOM 609 C LYS A 44 4.659 -10.817 0.687 1.00 0.00 C ATOM 610 O LYS A 44 3.812 -11.092 -0.162 1.00 0.00 O ATOM 611 CB LYS A 44 4.061 -11.920 2.921 1.00 0.00 C ATOM 612 CG LYS A 44 3.757 -13.375 3.284 1.00 0.00 C ATOM 613 CD LYS A 44 2.379 -13.793 2.765 1.00 0.00 C ATOM 614 CE LYS A 44 2.480 -14.394 1.362 1.00 0.00 C ATOM 615 NZ LYS A 44 1.517 -13.741 0.447 1.00 0.00 N ATOM 0 H LYS A 44 6.439 -11.323 3.236 1.00 0.00 H new ATOM 0 HA LYS A 44 5.026 -12.822 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.474 -11.404 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.137 -11.407 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.522 -14.026 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.795 -13.499 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.936 -14.521 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.716 -12.928 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.494 -14.272 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.282 -15.465 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.599 -14.161 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.550 -13.879 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.724 -12.723 0.394 1.00 0.00 H new ATOM 629 N ALA A 45 5.295 -9.658 0.764 1.00 0.00 N ATOM 630 CA ALA A 45 5.025 -8.591 -0.185 1.00 0.00 C ATOM 631 C ALA A 45 5.532 -9.006 -1.568 1.00 0.00 C ATOM 632 O ALA A 45 4.964 -8.611 -2.585 1.00 0.00 O ATOM 633 CB ALA A 45 5.670 -7.294 0.307 1.00 0.00 C ATOM 0 H ALA A 45 5.997 -9.434 1.469 1.00 0.00 H new ATOM 0 HA ALA A 45 3.953 -8.411 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.467 -6.494 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.256 -7.028 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.747 -7.435 0.398 1.00 0.00 H new ATOM 639 N ALA A 46 6.595 -9.796 -1.561 1.00 0.00 N ATOM 640 CA ALA A 46 7.184 -10.268 -2.803 1.00 0.00 C ATOM 641 C ALA A 46 6.656 -11.670 -3.112 1.00 0.00 C ATOM 642 O ALA A 46 7.261 -12.408 -3.889 1.00 0.00 O ATOM 643 CB ALA A 46 8.710 -10.231 -2.690 1.00 0.00 C ATOM 0 H ALA A 46 7.064 -10.121 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 46 6.902 -9.620 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.152 -10.585 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.036 -9.209 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.030 -10.873 -1.869 1.00 0.00 H new ATOM 649 N GLN A 47 5.534 -11.997 -2.488 1.00 0.00 N ATOM 650 CA GLN A 47 4.918 -13.297 -2.687 1.00 0.00 C ATOM 651 C GLN A 47 3.402 -13.150 -2.835 1.00 0.00 C ATOM 652 O GLN A 47 2.673 -14.140 -2.811 1.00 0.00 O ATOM 653 CB GLN A 47 5.266 -14.250 -1.542 1.00 0.00 C ATOM 654 CG GLN A 47 6.778 -14.474 -1.455 1.00 0.00 C ATOM 655 CD GLN A 47 7.122 -15.957 -1.606 1.00 0.00 C ATOM 656 OE1 GLN A 47 6.593 -16.660 -2.450 1.00 0.00 O ATOM 657 NE2 GLN A 47 8.036 -16.390 -0.742 1.00 0.00 N ATOM 0 H GLN A 47 5.035 -11.383 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 47 5.314 -13.727 -3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.901 -13.841 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.761 -15.204 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.280 -13.900 -2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.149 -14.106 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.439 -15.747 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.334 -17.365 -0.761 1.00 0.00 H new ATOM 666 N SER A 48 2.973 -11.905 -2.986 1.00 0.00 N ATOM 667 CA SER A 48 1.558 -11.615 -3.138 1.00 0.00 C ATOM 668 C SER A 48 1.282 -11.075 -4.543 1.00 0.00 C ATOM 669 O SER A 48 1.746 -11.642 -5.531 1.00 0.00 O ATOM 670 CB SER A 48 1.084 -10.614 -2.082 1.00 0.00 C ATOM 671 OG SER A 48 1.657 -9.323 -2.275 1.00 0.00 O ATOM 0 H SER A 48 3.581 -11.086 -3.006 1.00 0.00 H new ATOM 0 HA SER A 48 1.002 -12.542 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.003 -10.537 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.346 -10.982 -1.090 1.00 0.00 H new ATOM 0 HG SER A 48 2.499 -9.261 -1.777 1.00 0.00 H new ATOM 677 N GLN A 49 0.529 -9.986 -4.587 1.00 0.00 N ATOM 678 CA GLN A 49 0.186 -9.364 -5.854 1.00 0.00 C ATOM 679 C GLN A 49 0.613 -7.894 -5.856 1.00 0.00 C ATOM 680 O GLN A 49 0.345 -7.168 -6.812 1.00 0.00 O ATOM 681 CB GLN A 49 -1.309 -9.501 -6.146 1.00 0.00 C ATOM 682 CG GLN A 49 -1.651 -10.921 -6.601 1.00 0.00 C ATOM 683 CD GLN A 49 -2.623 -10.899 -7.783 1.00 0.00 C ATOM 684 OE1 GLN A 49 -2.518 -10.091 -8.691 1.00 0.00 O ATOM 685 NE2 GLN A 49 -3.571 -11.829 -7.721 1.00 0.00 N ATOM 0 H GLN A 49 0.147 -9.518 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 49 0.726 -9.880 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.882 -9.254 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.599 -8.788 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.739 -11.445 -6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.092 -11.476 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.601 -12.475 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.268 -11.897 -8.463 1.00 0.00 H new ATOM 694 N LEU A 50 1.270 -7.500 -4.776 1.00 0.00 N ATOM 695 CA LEU A 50 1.736 -6.131 -4.641 1.00 0.00 C ATOM 696 C LEU A 50 3.153 -6.021 -5.209 1.00 0.00 C ATOM 697 O LEU A 50 4.052 -6.749 -4.791 1.00 0.00 O ATOM 698 CB LEU A 50 1.619 -5.665 -3.188 1.00 0.00 C ATOM 699 CG LEU A 50 2.515 -6.385 -2.178 1.00 0.00 C ATOM 700 CD1 LEU A 50 3.762 -5.557 -1.864 1.00 0.00 C ATOM 701 CD2 LEU A 50 1.734 -6.748 -0.914 1.00 0.00 C ATOM 0 H LEU A 50 1.491 -8.105 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 50 1.106 -5.456 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.846 -4.599 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.582 -5.782 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 50 2.854 -7.319 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.382 -6.091 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.330 -5.393 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.465 -4.596 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.394 -7.259 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.347 -5.840 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.904 -7.405 -1.175 1.00 0.00 H new ATOM 713 N SER A 51 3.307 -5.104 -6.154 1.00 0.00 N ATOM 714 CA SER A 51 4.599 -4.890 -6.784 1.00 0.00 C ATOM 715 C SER A 51 5.022 -3.428 -6.625 1.00 0.00 C ATOM 716 O SER A 51 4.253 -2.606 -6.129 1.00 0.00 O ATOM 717 CB SER A 51 4.560 -5.273 -8.264 1.00 0.00 C ATOM 718 OG SER A 51 4.852 -6.653 -8.466 1.00 0.00 O ATOM 0 H SER A 51 2.559 -4.502 -6.498 1.00 0.00 H new ATOM 0 HA SER A 51 5.331 -5.530 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.574 -5.048 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.279 -4.666 -8.815 1.00 0.00 H new ATOM 0 HG SER A 51 4.815 -6.858 -9.424 1.00 0.00 H new ATOM 724 N GLN A 52 6.244 -3.148 -7.055 1.00 0.00 N ATOM 725 CA GLN A 52 6.778 -1.800 -6.966 1.00 0.00 C ATOM 726 C GLN A 52 6.165 -0.914 -8.053 1.00 0.00 C ATOM 727 O GLN A 52 6.106 -1.305 -9.217 1.00 0.00 O ATOM 728 CB GLN A 52 8.305 -1.808 -7.062 1.00 0.00 C ATOM 729 CG GLN A 52 8.900 -0.542 -6.442 1.00 0.00 C ATOM 730 CD GLN A 52 10.256 -0.210 -7.068 1.00 0.00 C ATOM 731 OE1 GLN A 52 11.121 -1.056 -7.224 1.00 0.00 O ATOM 732 NE2 GLN A 52 10.391 1.066 -7.418 1.00 0.00 N ATOM 0 H GLN A 52 6.879 -3.832 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 52 6.510 -1.387 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.700 -2.687 -6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.607 -1.882 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.215 0.294 -6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.016 -0.679 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.626 1.722 -7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.259 1.388 -7.846 1.00 0.00 H new ATOM 741 N GLY A 53 5.725 0.263 -7.633 1.00 0.00 N ATOM 742 CA GLY A 53 5.119 1.208 -8.556 1.00 0.00 C ATOM 743 C GLY A 53 3.596 1.211 -8.416 1.00 0.00 C ATOM 744 O GLY A 53 2.942 2.204 -8.729 1.00 0.00 O ATOM 0 H GLY A 53 5.776 0.584 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.507 2.208 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.393 0.950 -9.579 1.00 0.00 H new ATOM 748 N ASP A 54 3.075 0.088 -7.944 1.00 0.00 N ATOM 749 CA ASP A 54 1.640 -0.052 -7.758 1.00 0.00 C ATOM 750 C ASP A 54 1.073 1.254 -7.199 1.00 0.00 C ATOM 751 O ASP A 54 1.793 2.029 -6.571 1.00 0.00 O ATOM 752 CB ASP A 54 1.320 -1.170 -6.765 1.00 0.00 C ATOM 753 CG ASP A 54 1.513 -2.589 -7.304 1.00 0.00 C ATOM 754 OD1 ASP A 54 1.967 -2.699 -8.463 1.00 0.00 O ATOM 755 OD2 ASP A 54 1.202 -3.532 -6.544 1.00 0.00 O ATOM 0 H ASP A 54 3.621 -0.734 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 54 1.196 -0.291 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.949 -1.044 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.286 -1.059 -6.437 1.00 0.00 H new ATOM 760 N LEU A 55 -0.212 1.459 -7.447 1.00 0.00 N ATOM 761 CA LEU A 55 -0.884 2.658 -6.976 1.00 0.00 C ATOM 762 C LEU A 55 -1.875 2.282 -5.873 1.00 0.00 C ATOM 763 O LEU A 55 -2.946 1.745 -6.152 1.00 0.00 O ATOM 764 CB LEU A 55 -1.522 3.409 -8.146 1.00 0.00 C ATOM 765 CG LEU A 55 -1.199 4.902 -8.241 1.00 0.00 C ATOM 766 CD1 LEU A 55 0.195 5.124 -8.832 1.00 0.00 C ATOM 767 CD2 LEU A 55 -2.280 5.648 -9.026 1.00 0.00 C ATOM 0 H LEU A 55 -0.806 0.814 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.165 3.350 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.209 2.930 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.604 3.295 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.191 5.315 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.400 6.193 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.940 4.645 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.239 4.692 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.026 6.707 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.344 5.240 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.241 5.530 -8.525 1.00 0.00 H new ATOM 779 N VAL A 56 -1.482 2.579 -4.643 1.00 0.00 N ATOM 780 CA VAL A 56 -2.323 2.278 -3.496 1.00 0.00 C ATOM 781 C VAL A 56 -3.450 3.310 -3.411 1.00 0.00 C ATOM 782 O VAL A 56 -3.205 4.511 -3.506 1.00 0.00 O ATOM 783 CB VAL A 56 -1.472 2.217 -2.226 1.00 0.00 C ATOM 784 CG1 VAL A 56 -2.303 1.740 -1.032 1.00 0.00 C ATOM 785 CG2 VAL A 56 -0.245 1.326 -2.430 1.00 0.00 C ATOM 0 H VAL A 56 -0.593 3.025 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.787 1.298 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.121 3.226 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.675 1.705 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.130 2.430 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.697 0.744 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.342 1.300 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.567 0.316 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.365 1.726 -3.240 1.00 0.00 H new ATOM 795 N VAL A 57 -4.661 2.802 -3.234 1.00 0.00 N ATOM 796 CA VAL A 57 -5.826 3.664 -3.136 1.00 0.00 C ATOM 797 C VAL A 57 -6.342 3.654 -1.696 1.00 0.00 C ATOM 798 O VAL A 57 -6.359 4.689 -1.031 1.00 0.00 O ATOM 799 CB VAL A 57 -6.884 3.232 -4.153 1.00 0.00 C ATOM 800 CG1 VAL A 57 -6.854 4.131 -5.391 1.00 0.00 C ATOM 801 CG2 VAL A 57 -6.706 1.762 -4.538 1.00 0.00 C ATOM 0 H VAL A 57 -4.860 1.805 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.561 4.693 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.862 3.340 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.616 3.802 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.052 5.162 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.872 4.070 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.471 1.480 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.719 1.618 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.801 1.139 -3.649 1.00 0.00 H new ATOM 811 N ALA A 58 -6.752 2.474 -1.255 1.00 0.00 N ATOM 812 CA ALA A 58 -7.267 2.315 0.094 1.00 0.00 C ATOM 813 C ALA A 58 -6.542 1.155 0.779 1.00 0.00 C ATOM 814 O ALA A 58 -6.418 0.073 0.209 1.00 0.00 O ATOM 815 CB ALA A 58 -8.782 2.107 0.041 1.00 0.00 C ATOM 0 H ALA A 58 -6.738 1.618 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.082 3.213 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.169 1.988 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.252 2.972 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.006 1.213 -0.541 1.00 0.00 H new ATOM 821 N ILE A 59 -6.083 1.421 1.993 1.00 0.00 N ATOM 822 CA ILE A 59 -5.374 0.413 2.762 1.00 0.00 C ATOM 823 C ILE A 59 -6.379 -0.391 3.590 1.00 0.00 C ATOM 824 O ILE A 59 -6.935 0.117 4.562 1.00 0.00 O ATOM 825 CB ILE A 59 -4.265 1.057 3.597 1.00 0.00 C ATOM 826 CG1 ILE A 59 -3.233 1.745 2.701 1.00 0.00 C ATOM 827 CG2 ILE A 59 -3.620 0.034 4.534 1.00 0.00 C ATOM 828 CD1 ILE A 59 -2.535 2.884 3.445 1.00 0.00 C ATOM 0 H ILE A 59 -6.188 2.320 2.463 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.873 -0.290 2.097 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.713 1.829 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.494 1.017 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.723 2.135 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.835 0.518 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.376 -0.369 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.189 -0.776 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.806 3.356 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.274 3.622 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.026 2.487 4.323 1.00 0.00 H new ATOM 840 N ASP A 60 -6.581 -1.633 3.174 1.00 0.00 N ATOM 841 CA ASP A 60 -7.509 -2.512 3.865 1.00 0.00 C ATOM 842 C ASP A 60 -8.937 -2.010 3.649 1.00 0.00 C ATOM 843 O ASP A 60 -9.878 -2.524 4.251 1.00 0.00 O ATOM 844 CB ASP A 60 -7.236 -2.528 5.370 1.00 0.00 C ATOM 845 CG ASP A 60 -7.684 -3.798 6.095 1.00 0.00 C ATOM 846 OD1 ASP A 60 -8.894 -4.103 6.011 1.00 0.00 O ATOM 847 OD2 ASP A 60 -6.807 -4.436 6.718 1.00 0.00 O ATOM 0 H ASP A 60 -6.118 -2.051 2.367 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.382 -3.518 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.166 -2.394 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.737 -1.673 5.824 1.00 0.00 H new ATOM 852 N GLY A 61 -9.055 -1.010 2.786 1.00 0.00 N ATOM 853 CA GLY A 61 -10.353 -0.433 2.483 1.00 0.00 C ATOM 854 C GLY A 61 -10.462 0.991 3.033 1.00 0.00 C ATOM 855 O GLY A 61 -11.563 1.504 3.225 1.00 0.00 O ATOM 0 H GLY A 61 -8.273 -0.586 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.507 -0.423 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.140 -1.054 2.912 1.00 0.00 H new ATOM 859 N VAL A 62 -9.304 1.589 3.272 1.00 0.00 N ATOM 860 CA VAL A 62 -9.255 2.943 3.796 1.00 0.00 C ATOM 861 C VAL A 62 -8.498 3.839 2.814 1.00 0.00 C ATOM 862 O VAL A 62 -7.271 3.790 2.743 1.00 0.00 O ATOM 863 CB VAL A 62 -8.641 2.940 5.197 1.00 0.00 C ATOM 864 CG1 VAL A 62 -7.147 2.612 5.141 1.00 0.00 C ATOM 865 CG2 VAL A 62 -8.883 4.274 5.905 1.00 0.00 C ATOM 0 H VAL A 62 -8.392 1.160 3.112 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.261 3.349 3.897 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.134 2.159 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.735 2.617 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.007 1.627 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.633 3.359 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.436 4.245 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.430 5.080 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.955 4.449 5.994 1.00 0.00 H new ATOM 875 N ASN A 63 -9.261 4.636 2.080 1.00 0.00 N ATOM 876 CA ASN A 63 -8.677 5.541 1.105 1.00 0.00 C ATOM 877 C ASN A 63 -7.397 6.149 1.681 1.00 0.00 C ATOM 878 O ASN A 63 -7.301 6.375 2.887 1.00 0.00 O ATOM 879 CB ASN A 63 -9.636 6.686 0.773 1.00 0.00 C ATOM 880 CG ASN A 63 -9.226 7.387 -0.523 1.00 0.00 C ATOM 881 OD1 ASN A 63 -8.364 8.250 -0.546 1.00 0.00 O ATOM 882 ND2 ASN A 63 -9.889 6.969 -1.598 1.00 0.00 N ATOM 0 H ASN A 63 -10.278 4.674 2.141 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.468 4.971 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.650 6.299 0.676 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.646 7.405 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.687 7.375 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.599 6.242 -1.509 1.00 0.00 H new ATOM 889 N THR A 64 -6.445 6.395 0.793 1.00 0.00 N ATOM 890 CA THR A 64 -5.175 6.972 1.199 1.00 0.00 C ATOM 891 C THR A 64 -4.973 8.336 0.536 1.00 0.00 C ATOM 892 O THR A 64 -4.039 9.062 0.874 1.00 0.00 O ATOM 893 CB THR A 64 -4.071 5.966 0.867 1.00 0.00 C ATOM 894 OG1 THR A 64 -4.079 5.898 -0.556 1.00 0.00 O ATOM 895 CG2 THR A 64 -4.422 4.544 1.310 1.00 0.00 C ATOM 0 H THR A 64 -6.528 6.205 -0.206 1.00 0.00 H new ATOM 0 HA THR A 64 -5.151 7.160 2.272 1.00 0.00 H new ATOM 0 HB THR A 64 -3.142 6.276 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.876 5.414 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.605 3.870 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.578 4.527 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.333 4.220 0.807 1.00 0.00 H new ATOM 903 N ASP A 65 -5.864 8.644 -0.395 1.00 0.00 N ATOM 904 CA ASP A 65 -5.795 9.908 -1.108 1.00 0.00 C ATOM 905 C ASP A 65 -5.884 11.060 -0.105 1.00 0.00 C ATOM 906 O ASP A 65 -5.418 12.164 -0.380 1.00 0.00 O ATOM 907 CB ASP A 65 -6.957 10.048 -2.094 1.00 0.00 C ATOM 908 CG ASP A 65 -7.156 8.858 -3.033 1.00 0.00 C ATOM 909 OD1 ASP A 65 -6.446 7.849 -2.829 1.00 0.00 O ATOM 910 OD2 ASP A 65 -8.012 8.983 -3.935 1.00 0.00 O ATOM 0 H ASP A 65 -6.638 8.040 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.853 9.936 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.876 10.203 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.797 10.943 -2.695 1.00 0.00 H new ATOM 915 N THR A 66 -6.485 10.763 1.037 1.00 0.00 N ATOM 916 CA THR A 66 -6.641 11.760 2.083 1.00 0.00 C ATOM 917 C THR A 66 -5.591 11.554 3.176 1.00 0.00 C ATOM 918 O THR A 66 -5.300 12.471 3.943 1.00 0.00 O ATOM 919 CB THR A 66 -8.079 11.683 2.599 1.00 0.00 C ATOM 920 OG1 THR A 66 -8.091 12.556 3.725 1.00 0.00 O ATOM 921 CG2 THR A 66 -8.418 10.311 3.187 1.00 0.00 C ATOM 0 H THR A 66 -6.870 9.846 1.262 1.00 0.00 H new ATOM 0 HA THR A 66 -6.472 12.766 1.699 1.00 0.00 H new ATOM 0 HB THR A 66 -8.769 11.910 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.988 12.567 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.450 10.311 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.296 9.546 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.750 10.098 4.022 1.00 0.00 H new ATOM 929 N MET A 67 -5.051 10.345 3.214 1.00 0.00 N ATOM 930 CA MET A 67 -4.039 10.008 4.201 1.00 0.00 C ATOM 931 C MET A 67 -2.637 10.334 3.683 1.00 0.00 C ATOM 932 O MET A 67 -2.338 10.116 2.510 1.00 0.00 O ATOM 933 CB MET A 67 -4.127 8.516 4.532 1.00 0.00 C ATOM 934 CG MET A 67 -5.488 8.169 5.139 1.00 0.00 C ATOM 935 SD MET A 67 -5.265 7.206 6.626 1.00 0.00 S ATOM 936 CE MET A 67 -5.494 5.562 5.968 1.00 0.00 C ATOM 0 H MET A 67 -5.295 9.586 2.577 1.00 0.00 H new ATOM 0 HA MET A 67 -4.221 10.600 5.098 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.968 7.929 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.334 8.247 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.038 9.082 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.085 7.609 4.419 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.253 5.039 6.550 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.816 5.628 4.929 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.553 5.014 6.023 1.00 0.00 H new ATOM 946 N THR A 68 -1.815 10.853 4.583 1.00 0.00 N ATOM 947 CA THR A 68 -0.451 11.212 4.231 1.00 0.00 C ATOM 948 C THR A 68 0.455 9.980 4.284 1.00 0.00 C ATOM 949 O THR A 68 0.085 8.957 4.858 1.00 0.00 O ATOM 950 CB THR A 68 -0.003 12.337 5.166 1.00 0.00 C ATOM 951 OG1 THR A 68 -0.024 11.742 6.461 1.00 0.00 O ATOM 952 CG2 THR A 68 -1.030 13.466 5.258 1.00 0.00 C ATOM 0 H THR A 68 -2.067 11.034 5.555 1.00 0.00 H new ATOM 0 HA THR A 68 -0.389 11.578 3.206 1.00 0.00 H new ATOM 0 HB THR A 68 0.948 12.740 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.255 12.402 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.662 14.238 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.188 13.895 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.972 13.071 5.637 1.00 0.00 H new ATOM 960 N HIS A 69 1.625 10.119 3.677 1.00 0.00 N ATOM 961 CA HIS A 69 2.587 9.030 3.648 1.00 0.00 C ATOM 962 C HIS A 69 2.605 8.325 5.005 1.00 0.00 C ATOM 963 O HIS A 69 2.394 7.115 5.083 1.00 0.00 O ATOM 964 CB HIS A 69 3.967 9.537 3.224 1.00 0.00 C ATOM 965 CG HIS A 69 5.037 8.471 3.220 1.00 0.00 C ATOM 966 ND1 HIS A 69 5.747 8.126 2.083 1.00 0.00 N ATOM 967 CD2 HIS A 69 5.510 7.679 4.225 1.00 0.00 C ATOM 968 CE1 HIS A 69 6.606 7.169 2.401 1.00 0.00 C ATOM 969 NE2 HIS A 69 6.457 6.893 3.728 1.00 0.00 N ATOM 0 H HIS A 69 1.928 10.969 3.202 1.00 0.00 H new ATOM 0 HA HIS A 69 2.288 8.295 2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.894 9.968 2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.270 10.340 3.896 1.00 0.00 H new ATOM 0 HD1 HIS A 69 5.629 8.538 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.171 7.690 5.251 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.302 6.691 1.727 1.00 0.00 H new ATOM 977 N LEU A 70 2.858 9.110 6.041 1.00 0.00 N ATOM 978 CA LEU A 70 2.906 8.576 7.391 1.00 0.00 C ATOM 979 C LEU A 70 1.585 7.871 7.704 1.00 0.00 C ATOM 980 O LEU A 70 1.569 6.678 8.004 1.00 0.00 O ATOM 981 CB LEU A 70 3.267 9.677 8.391 1.00 0.00 C ATOM 982 CG LEU A 70 3.971 9.217 9.670 1.00 0.00 C ATOM 983 CD1 LEU A 70 5.175 8.331 9.345 1.00 0.00 C ATOM 984 CD2 LEU A 70 4.358 10.413 10.542 1.00 0.00 C ATOM 0 H LEU A 70 3.032 10.113 5.973 1.00 0.00 H new ATOM 0 HA LEU A 70 3.695 7.829 7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.907 10.402 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.353 10.200 8.671 1.00 0.00 H new ATOM 0 HG LEU A 70 3.272 8.611 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.657 8.018 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.841 7.451 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.886 8.891 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.857 10.059 11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.032 11.065 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.461 10.968 10.817 1.00 0.00 H new ATOM 996 N GLU A 71 0.508 8.639 7.623 1.00 0.00 N ATOM 997 CA GLU A 71 -0.815 8.103 7.893 1.00 0.00 C ATOM 998 C GLU A 71 -0.939 6.685 7.330 1.00 0.00 C ATOM 999 O GLU A 71 -1.160 5.734 8.077 1.00 0.00 O ATOM 1000 CB GLU A 71 -1.903 9.016 7.324 1.00 0.00 C ATOM 1001 CG GLU A 71 -2.044 10.289 8.162 1.00 0.00 C ATOM 1002 CD GLU A 71 -3.441 10.388 8.778 1.00 0.00 C ATOM 1003 OE1 GLU A 71 -3.860 9.387 9.398 1.00 0.00 O ATOM 1004 OE2 GLU A 71 -4.058 11.463 8.616 1.00 0.00 O ATOM 0 H GLU A 71 0.525 9.628 7.374 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.953 8.057 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.660 9.279 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.854 8.484 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.293 10.294 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.855 11.162 7.538 1.00 0.00 H new ATOM 1011 N ALA A 72 -0.791 6.590 6.017 1.00 0.00 N ATOM 1012 CA ALA A 72 -0.883 5.305 5.345 1.00 0.00 C ATOM 1013 C ALA A 72 0.032 4.300 6.047 1.00 0.00 C ATOM 1014 O ALA A 72 -0.406 3.215 6.426 1.00 0.00 O ATOM 1015 CB ALA A 72 -0.535 5.476 3.865 1.00 0.00 C ATOM 0 H ALA A 72 -0.608 7.382 5.401 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.900 4.917 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.604 4.512 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.233 6.176 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.480 5.862 3.772 1.00 0.00 H new ATOM 1021 N GLN A 73 1.287 4.697 6.200 1.00 0.00 N ATOM 1022 CA GLN A 73 2.268 3.845 6.851 1.00 0.00 C ATOM 1023 C GLN A 73 1.744 3.373 8.208 1.00 0.00 C ATOM 1024 O GLN A 73 1.853 2.195 8.544 1.00 0.00 O ATOM 1025 CB GLN A 73 3.608 4.568 7.001 1.00 0.00 C ATOM 1026 CG GLN A 73 4.491 4.348 5.771 1.00 0.00 C ATOM 1027 CD GLN A 73 5.951 4.137 6.174 1.00 0.00 C ATOM 1028 OE1 GLN A 73 6.280 3.940 7.333 1.00 0.00 O ATOM 1029 NE2 GLN A 73 6.807 4.188 5.157 1.00 0.00 N ATOM 0 H GLN A 73 1.647 5.598 5.884 1.00 0.00 H new ATOM 0 HA GLN A 73 2.434 2.969 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.436 5.635 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.122 4.207 7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.135 3.481 5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.414 5.208 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.465 4.357 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.805 4.058 5.323 1.00 0.00 H new ATOM 1038 N ASN A 74 1.187 4.317 8.953 1.00 0.00 N ATOM 1039 CA ASN A 74 0.646 4.013 10.267 1.00 0.00 C ATOM 1040 C ASN A 74 -0.371 2.876 10.144 1.00 0.00 C ATOM 1041 O ASN A 74 -0.510 2.062 11.055 1.00 0.00 O ATOM 1042 CB ASN A 74 -0.071 5.226 10.862 1.00 0.00 C ATOM 1043 CG ASN A 74 0.733 5.825 12.018 1.00 0.00 C ATOM 1044 OD1 ASN A 74 0.653 5.391 13.155 1.00 0.00 O ATOM 1045 ND2 ASN A 74 1.511 6.845 11.664 1.00 0.00 N ATOM 0 H ASN A 74 1.099 5.293 8.671 1.00 0.00 H new ATOM 0 HA ASN A 74 1.475 3.731 10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.220 5.980 10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.059 4.932 11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.088 7.313 12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.531 7.158 10.694 1.00 0.00 H new ATOM 1052 N LYS A 75 -1.055 2.857 9.010 1.00 0.00 N ATOM 1053 CA LYS A 75 -2.055 1.834 8.756 1.00 0.00 C ATOM 1054 C LYS A 75 -1.388 0.458 8.780 1.00 0.00 C ATOM 1055 O LYS A 75 -1.841 -0.444 9.483 1.00 0.00 O ATOM 1056 CB LYS A 75 -2.807 2.130 7.457 1.00 0.00 C ATOM 1057 CG LYS A 75 -4.303 1.849 7.612 1.00 0.00 C ATOM 1058 CD LYS A 75 -5.009 3.012 8.312 1.00 0.00 C ATOM 1059 CE LYS A 75 -6.425 2.617 8.736 1.00 0.00 C ATOM 1060 NZ LYS A 75 -6.874 3.445 9.878 1.00 0.00 N ATOM 0 H LYS A 75 -0.936 3.534 8.256 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.810 1.837 9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.657 3.172 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.401 1.520 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.749 1.685 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.447 0.933 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.435 3.317 9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.052 3.872 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.110 2.741 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.448 1.563 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.837 3.164 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.230 3.306 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.872 4.448 9.602 1.00 0.00 H new ATOM 1074 N ILE A 76 -0.321 0.339 8.003 1.00 0.00 N ATOM 1075 CA ILE A 76 0.414 -0.912 7.927 1.00 0.00 C ATOM 1076 C ILE A 76 0.545 -1.508 9.330 1.00 0.00 C ATOM 1077 O ILE A 76 0.264 -2.688 9.536 1.00 0.00 O ATOM 1078 CB ILE A 76 1.754 -0.704 7.219 1.00 0.00 C ATOM 1079 CG1 ILE A 76 1.547 -0.203 5.789 1.00 0.00 C ATOM 1080 CG2 ILE A 76 2.601 -1.978 7.263 1.00 0.00 C ATOM 1081 CD1 ILE A 76 2.876 -0.137 5.033 1.00 0.00 C ATOM 0 H ILE A 76 0.052 1.089 7.421 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.130 -1.637 7.322 1.00 0.00 H new ATOM 0 HB ILE A 76 2.306 0.069 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.858 -0.865 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.087 0.785 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.548 -1.803 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.793 -2.252 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.066 -2.788 6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.700 0.222 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.554 0.545 5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.322 -1.131 4.994 1.00 0.00 H new ATOM 1093 N LYS A 77 0.972 -0.665 10.259 1.00 0.00 N ATOM 1094 CA LYS A 77 1.143 -1.094 11.636 1.00 0.00 C ATOM 1095 C LYS A 77 -0.226 -1.410 12.242 1.00 0.00 C ATOM 1096 O LYS A 77 -0.410 -2.462 12.853 1.00 0.00 O ATOM 1097 CB LYS A 77 1.939 -0.053 12.426 1.00 0.00 C ATOM 1098 CG LYS A 77 3.441 -0.210 12.181 1.00 0.00 C ATOM 1099 CD LYS A 77 3.897 0.649 11.000 1.00 0.00 C ATOM 1100 CE LYS A 77 5.332 1.141 11.200 1.00 0.00 C ATOM 1101 NZ LYS A 77 6.286 0.255 10.496 1.00 0.00 N ATOM 0 H LYS A 77 1.204 0.313 10.085 1.00 0.00 H new ATOM 0 HA LYS A 77 1.730 -2.011 11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.622 0.949 12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.727 -0.159 13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.991 0.076 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.674 -1.257 11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.833 0.070 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.229 1.503 10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.429 2.160 10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.569 1.168 12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.255 0.603 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.205 -0.711 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.069 0.250 9.479 1.00 0.00 H new ATOM 1115 N SER A 78 -1.151 -0.481 12.051 1.00 0.00 N ATOM 1116 CA SER A 78 -2.497 -0.648 12.571 1.00 0.00 C ATOM 1117 C SER A 78 -2.943 -2.103 12.411 1.00 0.00 C ATOM 1118 O SER A 78 -3.430 -2.715 13.360 1.00 0.00 O ATOM 1119 CB SER A 78 -3.480 0.289 11.866 1.00 0.00 C ATOM 1120 OG SER A 78 -4.596 0.612 12.691 1.00 0.00 O ATOM 0 H SER A 78 -0.995 0.390 11.543 1.00 0.00 H new ATOM 0 HA SER A 78 -2.489 -0.392 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.964 1.205 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.832 -0.180 10.947 1.00 0.00 H new ATOM 0 HG SER A 78 -5.199 1.213 12.205 1.00 0.00 H new ATOM 1126 N ALA A 79 -2.762 -2.614 11.202 1.00 0.00 N ATOM 1127 CA ALA A 79 -3.140 -3.986 10.905 1.00 0.00 C ATOM 1128 C ALA A 79 -2.754 -4.883 12.083 1.00 0.00 C ATOM 1129 O ALA A 79 -1.792 -4.599 12.794 1.00 0.00 O ATOM 1130 CB ALA A 79 -2.480 -4.425 9.597 1.00 0.00 C ATOM 0 H ALA A 79 -2.359 -2.103 10.417 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.218 -4.067 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.763 -5.454 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.809 -3.774 8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.396 -4.360 9.697 1.00 0.00 H new ATOM 1136 N SER A 80 -3.526 -5.946 12.253 1.00 0.00 N ATOM 1137 CA SER A 80 -3.277 -6.887 13.333 1.00 0.00 C ATOM 1138 C SER A 80 -3.430 -8.321 12.823 1.00 0.00 C ATOM 1139 O SER A 80 -2.500 -9.120 12.920 1.00 0.00 O ATOM 1140 CB SER A 80 -4.223 -6.637 14.509 1.00 0.00 C ATOM 1141 OG SER A 80 -3.608 -6.932 15.760 1.00 0.00 O ATOM 0 H SER A 80 -4.324 -6.177 11.661 1.00 0.00 H new ATOM 0 HA SER A 80 -2.256 -6.741 13.686 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.545 -5.596 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.117 -7.249 14.391 1.00 0.00 H new ATOM 0 HG SER A 80 -4.243 -6.758 16.486 1.00 0.00 H new ATOM 1147 N TYR A 81 -4.610 -8.603 12.291 1.00 0.00 N ATOM 1148 CA TYR A 81 -4.897 -9.927 11.766 1.00 0.00 C ATOM 1149 C TYR A 81 -4.410 -10.062 10.321 1.00 0.00 C ATOM 1150 O TYR A 81 -3.643 -10.968 10.003 1.00 0.00 O ATOM 1151 CB TYR A 81 -6.420 -10.071 11.794 1.00 0.00 C ATOM 1152 CG TYR A 81 -6.913 -11.338 12.496 1.00 0.00 C ATOM 1153 CD1 TYR A 81 -6.540 -12.579 12.022 1.00 0.00 C ATOM 1154 CD2 TYR A 81 -7.729 -11.239 13.605 1.00 0.00 C ATOM 1155 CE1 TYR A 81 -7.004 -13.771 12.684 1.00 0.00 C ATOM 1156 CE2 TYR A 81 -8.193 -12.431 14.266 1.00 0.00 C ATOM 1157 CZ TYR A 81 -7.807 -13.638 13.773 1.00 0.00 C ATOM 1158 OH TYR A 81 -8.245 -14.764 14.398 1.00 0.00 O ATOM 0 H TYR A 81 -5.379 -7.937 12.212 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.394 -10.692 12.358 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.848 -9.202 12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.794 -10.066 10.770 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.901 -12.656 11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.019 -10.267 13.977 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.720 -14.749 12.323 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.833 -12.368 15.134 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.809 -14.517 15.160 1.00 0.00 H new ATOM 1168 N ASN A 82 -4.877 -9.145 9.486 1.00 0.00 N ATOM 1169 CA ASN A 82 -4.499 -9.150 8.083 1.00 0.00 C ATOM 1170 C ASN A 82 -4.297 -7.709 7.609 1.00 0.00 C ATOM 1171 O ASN A 82 -5.079 -6.824 7.951 1.00 0.00 O ATOM 1172 CB ASN A 82 -5.593 -9.783 7.220 1.00 0.00 C ATOM 1173 CG ASN A 82 -6.403 -10.802 8.023 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.496 -10.533 8.494 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -5.809 -11.985 8.152 1.00 0.00 N ATOM 0 H ASN A 82 -5.513 -8.394 9.754 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.581 -9.729 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.255 -9.006 6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.143 -10.271 6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.270 -12.733 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.893 -12.144 7.733 1.00 0.00 H new ATOM 1182 N LEU A 83 -3.244 -7.519 6.827 1.00 0.00 N ATOM 1183 CA LEU A 83 -2.930 -6.201 6.303 1.00 0.00 C ATOM 1184 C LEU A 83 -3.327 -6.137 4.827 1.00 0.00 C ATOM 1185 O LEU A 83 -2.524 -6.452 3.950 1.00 0.00 O ATOM 1186 CB LEU A 83 -1.461 -5.859 6.560 1.00 0.00 C ATOM 1187 CG LEU A 83 -0.891 -4.697 5.745 1.00 0.00 C ATOM 1188 CD1 LEU A 83 -1.564 -3.377 6.126 1.00 0.00 C ATOM 1189 CD2 LEU A 83 0.632 -4.625 5.883 1.00 0.00 C ATOM 0 H LEU A 83 -2.598 -8.256 6.544 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.507 -5.436 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.342 -5.627 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.861 -6.747 6.359 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.111 -4.878 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.140 -2.568 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.635 -3.446 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.397 -3.176 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.012 -3.790 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.896 -4.479 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.074 -5.554 5.523 1.00 0.00 H new ATOM 1201 N SER A 84 -4.566 -5.727 4.597 1.00 0.00 N ATOM 1202 CA SER A 84 -5.079 -5.617 3.243 1.00 0.00 C ATOM 1203 C SER A 84 -4.721 -4.250 2.657 1.00 0.00 C ATOM 1204 O SER A 84 -4.692 -3.251 3.374 1.00 0.00 O ATOM 1205 CB SER A 84 -6.594 -5.828 3.209 1.00 0.00 C ATOM 1206 OG SER A 84 -6.938 -7.194 2.998 1.00 0.00 O ATOM 0 H SER A 84 -5.230 -5.467 5.327 1.00 0.00 H new ATOM 0 HA SER A 84 -4.617 -6.397 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.029 -5.486 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.027 -5.218 2.416 1.00 0.00 H new ATOM 0 HG SER A 84 -7.913 -7.287 2.984 1.00 0.00 H new ATOM 1212 N LEU A 85 -4.456 -4.249 1.358 1.00 0.00 N ATOM 1213 CA LEU A 85 -4.101 -3.021 0.668 1.00 0.00 C ATOM 1214 C LEU A 85 -4.723 -3.028 -0.730 1.00 0.00 C ATOM 1215 O LEU A 85 -4.554 -3.986 -1.484 1.00 0.00 O ATOM 1216 CB LEU A 85 -2.583 -2.828 0.664 1.00 0.00 C ATOM 1217 CG LEU A 85 -1.903 -2.835 2.034 1.00 0.00 C ATOM 1218 CD1 LEU A 85 -0.476 -3.378 1.936 1.00 0.00 C ATOM 1219 CD2 LEU A 85 -1.944 -1.445 2.674 1.00 0.00 C ATOM 0 H LEU A 85 -4.480 -5.079 0.766 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.508 -2.158 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.138 -3.615 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.358 -1.881 0.174 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.459 -3.507 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.016 -3.372 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.500 -4.398 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.106 -2.751 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.454 -1.478 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.427 -0.733 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.981 -1.133 2.800 1.00 0.00 H new ATOM 1231 N THR A 86 -5.430 -1.950 -1.034 1.00 0.00 N ATOM 1232 CA THR A 86 -6.079 -1.821 -2.328 1.00 0.00 C ATOM 1233 C THR A 86 -5.215 -0.987 -3.277 1.00 0.00 C ATOM 1234 O THR A 86 -5.005 0.203 -3.047 1.00 0.00 O ATOM 1235 CB THR A 86 -7.473 -1.233 -2.102 1.00 0.00 C ATOM 1236 OG1 THR A 86 -8.041 -2.065 -1.094 1.00 0.00 O ATOM 1237 CG2 THR A 86 -8.394 -1.428 -3.308 1.00 0.00 C ATOM 0 H THR A 86 -5.568 -1.158 -0.407 1.00 0.00 H new ATOM 0 HA THR A 86 -6.194 -2.791 -2.811 1.00 0.00 H new ATOM 0 HB THR A 86 -7.386 -0.169 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.818 -1.706 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.370 -0.993 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.961 -0.938 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.508 -2.493 -3.510 1.00 0.00 H new ATOM 1245 N LEU A 87 -4.736 -1.645 -4.322 1.00 0.00 N ATOM 1246 CA LEU A 87 -3.900 -0.980 -5.307 1.00 0.00 C ATOM 1247 C LEU A 87 -4.707 -0.755 -6.587 1.00 0.00 C ATOM 1248 O LEU A 87 -5.821 -1.258 -6.719 1.00 0.00 O ATOM 1249 CB LEU A 87 -2.604 -1.763 -5.526 1.00 0.00 C ATOM 1250 CG LEU A 87 -1.619 -1.771 -4.355 1.00 0.00 C ATOM 1251 CD1 LEU A 87 -2.358 -1.760 -3.016 1.00 0.00 C ATOM 1252 CD2 LEU A 87 -0.647 -2.948 -4.464 1.00 0.00 C ATOM 0 H LEU A 87 -4.911 -2.632 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.595 0.002 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.862 -2.795 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.097 -1.351 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.026 -0.858 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.634 -1.766 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.974 -0.863 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.993 -2.643 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.042 -2.930 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.206 -3.884 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.084 -2.870 -5.394 1.00 0.00 H new ATOM 1264 N GLN A 88 -4.112 0.001 -7.498 1.00 0.00 N ATOM 1265 CA GLN A 88 -4.761 0.298 -8.764 1.00 0.00 C ATOM 1266 C GLN A 88 -3.759 0.183 -9.914 1.00 0.00 C ATOM 1267 O GLN A 88 -2.601 0.573 -9.775 1.00 0.00 O ATOM 1268 CB GLN A 88 -5.407 1.685 -8.736 1.00 0.00 C ATOM 1269 CG GLN A 88 -6.810 1.649 -9.344 1.00 0.00 C ATOM 1270 CD GLN A 88 -6.898 2.553 -10.575 1.00 0.00 C ATOM 1271 OE1 GLN A 88 -6.940 2.101 -11.708 1.00 0.00 O ATOM 1272 NE2 GLN A 88 -6.922 3.852 -10.291 1.00 0.00 N ATOM 0 H GLN A 88 -3.188 0.417 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.553 -0.433 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.461 2.044 -7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.786 2.391 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.064 0.626 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.540 1.969 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.884 4.163 -9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.979 4.538 -11.044 1.00 0.00 H new ATOM 1281 N LYS A 89 -4.242 -0.354 -11.025 1.00 0.00 N ATOM 1282 CA LYS A 89 -3.403 -0.525 -12.199 1.00 0.00 C ATOM 1283 C LYS A 89 -3.059 0.848 -12.779 1.00 0.00 C ATOM 1284 O LYS A 89 -3.950 1.643 -13.074 1.00 0.00 O ATOM 1285 CB LYS A 89 -4.072 -1.466 -13.203 1.00 0.00 C ATOM 1286 CG LYS A 89 -3.673 -2.920 -12.941 1.00 0.00 C ATOM 1287 CD LYS A 89 -2.186 -3.140 -13.224 1.00 0.00 C ATOM 1288 CE LYS A 89 -1.874 -4.628 -13.394 1.00 0.00 C ATOM 1289 NZ LYS A 89 -0.526 -4.939 -12.868 1.00 0.00 N ATOM 0 H LYS A 89 -5.203 -0.676 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.461 -1.002 -11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.155 -1.365 -13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.787 -1.184 -14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.892 -3.180 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.268 -3.583 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.900 -2.600 -14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.592 -2.731 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.621 -5.224 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.931 -4.899 -14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.331 -5.953 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.185 -4.384 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.484 -4.699 -11.857 1.00 0.00 H new ATOM 1303 N SER A 90 -1.763 1.085 -12.926 1.00 0.00 N ATOM 1304 CA SER A 90 -1.290 2.348 -13.466 1.00 0.00 C ATOM 1305 C SER A 90 -1.273 2.291 -14.995 1.00 0.00 C ATOM 1306 O SER A 90 -2.167 2.827 -15.649 1.00 0.00 O ATOM 1307 CB SER A 90 0.103 2.687 -12.932 1.00 0.00 C ATOM 1308 OG SER A 90 0.516 3.998 -13.312 1.00 0.00 O ATOM 0 H SER A 90 -1.026 0.424 -12.680 1.00 0.00 H new ATOM 0 HA SER A 90 -1.974 3.134 -13.146 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.104 2.607 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.822 1.958 -13.306 1.00 0.00 H new ATOM 0 HG SER A 90 1.409 4.177 -12.951 1.00 0.00 H new TER 1314 SER A 90