USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 395 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 40 CYS SG : rot -2:sc= -3.07 USER MOD Set 1.2: A 50 MET CE :methyl -137:sc= -0.867 (180deg=-2.29!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.834 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 9 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 23 THR OG1 : rot 2:sc= -0.758 USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.397 USER MOD Single : A 26 THR OG1 : rot -80:sc= 0.675 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.0014) USER MOD Single : A 36 MET CE :methyl 168:sc= -2 (180deg=-2.98) USER MOD Single : A 41 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= -2.48! C(o=-2.5!,f=-5.6!) USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00235 F(o=-1.6,f=-0.0024) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 85:sc= 0.278 USER MOD Single : A 57 SER OG : rot 180:sc= -0.426 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 45:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.140 -16.561 8.766 1.00 0.00 N ATOM 2 CA GLY A 1 -17.048 -15.431 8.861 1.00 0.00 C ATOM 3 C GLY A 1 -16.523 -14.387 9.849 1.00 0.00 C ATOM 4 O GLY A 1 -16.674 -14.542 11.060 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.519 -17.255 8.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.209 -16.232 8.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.041 -17.007 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.173 -14.976 7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.032 -15.776 9.180 1.00 0.00 H new ATOM 8 N SER A 2 -15.916 -13.347 9.295 1.00 0.00 N ATOM 9 CA SER A 2 -15.367 -12.279 10.113 1.00 0.00 C ATOM 10 C SER A 2 -14.739 -11.207 9.220 1.00 0.00 C ATOM 11 O SER A 2 -13.561 -11.294 8.875 1.00 0.00 O ATOM 12 CB SER A 2 -14.333 -12.818 11.103 1.00 0.00 C ATOM 13 OG SER A 2 -13.235 -13.440 10.442 1.00 0.00 O ATOM 0 H SER A 2 -15.793 -13.222 8.290 1.00 0.00 H new ATOM 0 HA SER A 2 -16.181 -11.835 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.966 -12.001 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.809 -13.537 11.769 1.00 0.00 H new ATOM 0 HG SER A 2 -12.994 -12.920 9.647 1.00 0.00 H new ATOM 19 N SER A 3 -15.552 -10.221 8.871 1.00 0.00 N ATOM 20 CA SER A 3 -15.090 -9.134 8.025 1.00 0.00 C ATOM 21 C SER A 3 -15.913 -7.873 8.297 1.00 0.00 C ATOM 22 O SER A 3 -17.024 -7.953 8.820 1.00 0.00 O ATOM 23 CB SER A 3 -15.174 -9.513 6.546 1.00 0.00 C ATOM 24 OG SER A 3 -13.892 -9.802 5.995 1.00 0.00 O ATOM 0 H SER A 3 -16.528 -10.152 9.159 1.00 0.00 H new ATOM 0 HA SER A 3 -14.045 -8.937 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.822 -10.382 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.633 -8.697 5.988 1.00 0.00 H new ATOM 0 HG SER A 3 -13.989 -10.041 5.050 1.00 0.00 H new ATOM 30 N GLY A 4 -15.337 -6.738 7.931 1.00 0.00 N ATOM 31 CA GLY A 4 -16.003 -5.462 8.129 1.00 0.00 C ATOM 32 C GLY A 4 -15.749 -4.923 9.538 1.00 0.00 C ATOM 33 O GLY A 4 -16.610 -5.024 10.410 1.00 0.00 O ATOM 0 H GLY A 4 -14.416 -6.675 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.646 -4.743 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.075 -5.578 7.968 1.00 0.00 H new ATOM 37 N SER A 5 -14.562 -4.363 9.717 1.00 0.00 N ATOM 38 CA SER A 5 -14.183 -3.808 11.006 1.00 0.00 C ATOM 39 C SER A 5 -14.043 -2.288 10.900 1.00 0.00 C ATOM 40 O SER A 5 -13.319 -1.786 10.042 1.00 0.00 O ATOM 41 CB SER A 5 -12.878 -4.427 11.510 1.00 0.00 C ATOM 42 OG SER A 5 -12.919 -4.692 12.910 1.00 0.00 O ATOM 0 H SER A 5 -13.850 -4.281 8.991 1.00 0.00 H new ATOM 0 HA SER A 5 -14.967 -4.045 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.685 -5.354 10.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.049 -3.753 11.293 1.00 0.00 H new ATOM 0 HG SER A 5 -12.069 -5.088 13.193 1.00 0.00 H new ATOM 48 N SER A 6 -14.748 -1.598 11.786 1.00 0.00 N ATOM 49 CA SER A 6 -14.711 -0.146 11.803 1.00 0.00 C ATOM 50 C SER A 6 -14.202 0.349 13.158 1.00 0.00 C ATOM 51 O SER A 6 -14.991 0.729 14.021 1.00 0.00 O ATOM 52 CB SER A 6 -16.092 0.443 11.508 1.00 0.00 C ATOM 53 OG SER A 6 -16.311 0.618 10.111 1.00 0.00 O ATOM 0 H SER A 6 -15.347 -2.018 12.496 1.00 0.00 H new ATOM 0 HA SER A 6 -14.028 0.188 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.861 -0.213 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.192 1.403 12.014 1.00 0.00 H new ATOM 0 HG SER A 6 -17.204 0.994 9.964 1.00 0.00 H new ATOM 59 N GLY A 7 -12.885 0.327 13.303 1.00 0.00 N ATOM 60 CA GLY A 7 -12.260 0.769 14.538 1.00 0.00 C ATOM 61 C GLY A 7 -10.746 0.907 14.368 1.00 0.00 C ATOM 62 O GLY A 7 -10.070 -0.049 13.990 1.00 0.00 O ATOM 0 H GLY A 7 -12.233 0.010 12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.684 1.726 14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.477 0.057 15.334 1.00 0.00 H new ATOM 66 N GLY A 8 -10.257 2.104 14.657 1.00 0.00 N ATOM 67 CA GLY A 8 -8.835 2.380 14.540 1.00 0.00 C ATOM 68 C GLY A 8 -8.432 2.570 13.077 1.00 0.00 C ATOM 69 O GLY A 8 -7.596 1.830 12.559 1.00 0.00 O ATOM 0 H GLY A 8 -10.820 2.894 14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.587 3.276 15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.265 1.559 14.974 1.00 0.00 H new ATOM 73 N SER A 9 -9.043 3.565 12.452 1.00 0.00 N ATOM 74 CA SER A 9 -8.758 3.862 11.059 1.00 0.00 C ATOM 75 C SER A 9 -9.244 5.271 10.713 1.00 0.00 C ATOM 76 O SER A 9 -8.445 6.143 10.377 1.00 0.00 O ATOM 77 CB SER A 9 -9.409 2.833 10.132 1.00 0.00 C ATOM 78 OG SER A 9 -10.802 2.688 10.391 1.00 0.00 O ATOM 0 H SER A 9 -9.735 4.176 12.885 1.00 0.00 H new ATOM 0 HA SER A 9 -7.679 3.811 10.913 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.263 3.135 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.915 1.869 10.256 1.00 0.00 H new ATOM 0 HG SER A 9 -11.181 2.024 9.778 1.00 0.00 H new ATOM 84 N ALA A 10 -10.554 5.450 10.808 1.00 0.00 N ATOM 85 CA ALA A 10 -11.157 6.738 10.510 1.00 0.00 C ATOM 86 C ALA A 10 -10.990 7.041 9.020 1.00 0.00 C ATOM 87 O ALA A 10 -10.013 7.671 8.616 1.00 0.00 O ATOM 88 CB ALA A 10 -10.528 7.814 11.398 1.00 0.00 C ATOM 0 H ALA A 10 -11.214 4.724 11.087 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.225 6.721 10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.980 8.780 11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.699 7.567 12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.456 7.862 11.207 1.00 0.00 H new ATOM 94 N ALA A 11 -11.958 6.579 8.243 1.00 0.00 N ATOM 95 CA ALA A 11 -11.931 6.793 6.806 1.00 0.00 C ATOM 96 C ALA A 11 -10.739 6.045 6.205 1.00 0.00 C ATOM 97 O ALA A 11 -9.652 6.605 6.076 1.00 0.00 O ATOM 98 CB ALA A 11 -11.884 8.295 6.514 1.00 0.00 C ATOM 0 H ALA A 11 -12.766 6.057 8.581 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.835 6.399 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.864 8.456 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.767 8.775 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.988 8.725 6.962 1.00 0.00 H new ATOM 104 N SER A 12 -10.984 4.791 5.855 1.00 0.00 N ATOM 105 CA SER A 12 -9.945 3.961 5.271 1.00 0.00 C ATOM 106 C SER A 12 -10.524 2.603 4.869 1.00 0.00 C ATOM 107 O SER A 12 -10.021 1.561 5.286 1.00 0.00 O ATOM 108 CB SER A 12 -8.779 3.773 6.244 1.00 0.00 C ATOM 109 OG SER A 12 -7.651 3.168 5.616 1.00 0.00 O ATOM 0 H SER A 12 -11.887 4.330 5.965 1.00 0.00 H new ATOM 0 HA SER A 12 -9.565 4.464 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.490 4.741 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.102 3.155 7.082 1.00 0.00 H new ATOM 0 HG SER A 12 -6.928 3.067 6.270 1.00 0.00 H new ATOM 115 N SER A 13 -11.573 2.659 4.062 1.00 0.00 N ATOM 116 CA SER A 13 -12.226 1.447 3.599 1.00 0.00 C ATOM 117 C SER A 13 -11.569 0.960 2.306 1.00 0.00 C ATOM 118 O SER A 13 -10.911 -0.080 2.293 1.00 0.00 O ATOM 119 CB SER A 13 -13.723 1.677 3.379 1.00 0.00 C ATOM 120 OG SER A 13 -14.501 1.223 4.484 1.00 0.00 O ATOM 0 H SER A 13 -11.987 3.525 3.717 1.00 0.00 H new ATOM 0 HA SER A 13 -12.112 0.683 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.907 2.739 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.040 1.158 2.475 1.00 0.00 H new ATOM 0 HG SER A 13 -15.450 1.389 4.306 1.00 0.00 H new ATOM 126 N ALA A 14 -11.769 1.734 1.249 1.00 0.00 N ATOM 127 CA ALA A 14 -11.204 1.394 -0.045 1.00 0.00 C ATOM 128 C ALA A 14 -9.677 1.408 0.050 1.00 0.00 C ATOM 129 O ALA A 14 -9.017 0.464 -0.381 1.00 0.00 O ATOM 130 CB ALA A 14 -11.731 2.366 -1.103 1.00 0.00 C ATOM 0 H ALA A 14 -12.315 2.596 1.263 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.506 0.390 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.307 2.111 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.818 2.297 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.444 3.383 -0.838 1.00 0.00 H new ATOM 136 N LEU A 15 -9.161 2.488 0.617 1.00 0.00 N ATOM 137 CA LEU A 15 -7.724 2.637 0.775 1.00 0.00 C ATOM 138 C LEU A 15 -7.134 1.323 1.290 1.00 0.00 C ATOM 139 O LEU A 15 -6.397 0.646 0.574 1.00 0.00 O ATOM 140 CB LEU A 15 -7.404 3.843 1.659 1.00 0.00 C ATOM 141 CG LEU A 15 -5.945 4.303 1.665 1.00 0.00 C ATOM 142 CD1 LEU A 15 -5.252 3.943 0.349 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.841 5.797 1.978 1.00 0.00 C ATOM 0 H LEU A 15 -9.712 3.269 0.973 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.254 2.843 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.026 4.679 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.693 3.605 2.683 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.423 3.771 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.216 4.281 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.277 2.862 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.768 4.429 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.793 6.097 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.383 6.366 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.273 5.994 2.959 1.00 0.00 H new ATOM 155 N LYS A 16 -7.478 1.001 2.528 1.00 0.00 N ATOM 156 CA LYS A 16 -6.991 -0.220 3.147 1.00 0.00 C ATOM 157 C LYS A 16 -7.012 -1.352 2.118 1.00 0.00 C ATOM 158 O LYS A 16 -5.987 -1.981 1.861 1.00 0.00 O ATOM 159 CB LYS A 16 -7.785 -0.529 4.418 1.00 0.00 C ATOM 160 CG LYS A 16 -6.899 -1.205 5.467 1.00 0.00 C ATOM 161 CD LYS A 16 -7.341 -0.831 6.883 1.00 0.00 C ATOM 162 CE LYS A 16 -7.164 -2.009 7.842 1.00 0.00 C ATOM 163 NZ LYS A 16 -7.042 -1.528 9.237 1.00 0.00 N ATOM 0 H LYS A 16 -8.088 1.565 3.120 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.956 -0.099 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.199 0.393 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.628 -1.177 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.943 -2.287 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.861 -0.909 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.759 0.021 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.386 -0.521 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.015 -2.685 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.276 -2.578 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.922 -2.340 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.216 -0.901 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.901 -1.005 9.500 1.00 0.00 H new ATOM 177 N GLY A 17 -8.192 -1.577 1.558 1.00 0.00 N ATOM 178 CA GLY A 17 -8.360 -2.622 0.563 1.00 0.00 C ATOM 179 C GLY A 17 -7.155 -2.682 -0.379 1.00 0.00 C ATOM 180 O GLY A 17 -6.550 -3.739 -0.553 1.00 0.00 O ATOM 0 H GLY A 17 -9.040 -1.054 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.486 -3.584 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.267 -2.438 -0.013 1.00 0.00 H new ATOM 184 N LEU A 18 -6.842 -1.534 -0.961 1.00 0.00 N ATOM 185 CA LEU A 18 -5.720 -1.442 -1.880 1.00 0.00 C ATOM 186 C LEU A 18 -4.428 -1.787 -1.137 1.00 0.00 C ATOM 187 O LEU A 18 -3.678 -2.664 -1.562 1.00 0.00 O ATOM 188 CB LEU A 18 -5.693 -0.071 -2.557 1.00 0.00 C ATOM 189 CG LEU A 18 -6.602 0.093 -3.777 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.517 1.514 -4.337 1.00 0.00 C ATOM 191 CD2 LEU A 18 -6.290 -0.962 -4.840 1.00 0.00 C ATOM 0 H LEU A 18 -7.346 -0.659 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.828 -2.168 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.969 0.682 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.668 0.142 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.632 -0.066 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.172 1.603 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.827 2.226 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.490 1.727 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.950 -0.822 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.253 -0.860 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.444 -1.957 -4.422 1.00 0.00 H new ATOM 203 N ILE A 19 -4.207 -1.078 -0.039 1.00 0.00 N ATOM 204 CA ILE A 19 -3.019 -1.298 0.767 1.00 0.00 C ATOM 205 C ILE A 19 -2.730 -2.798 0.845 1.00 0.00 C ATOM 206 O ILE A 19 -1.632 -3.241 0.511 1.00 0.00 O ATOM 207 CB ILE A 19 -3.168 -0.629 2.135 1.00 0.00 C ATOM 208 CG1 ILE A 19 -2.961 0.884 2.032 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.231 -1.267 3.163 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.802 1.624 3.073 1.00 0.00 C ATOM 0 H ILE A 19 -4.831 -0.351 0.311 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.152 -0.830 0.301 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.188 -0.791 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.907 1.121 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.231 1.224 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.357 -0.773 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.469 -2.326 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.198 -1.157 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.636 2.697 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.857 1.404 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.513 1.299 4.072 1.00 0.00 H new ATOM 222 N GLN A 20 -3.735 -3.540 1.286 1.00 0.00 N ATOM 223 CA GLN A 20 -3.603 -4.981 1.411 1.00 0.00 C ATOM 224 C GLN A 20 -2.987 -5.570 0.141 1.00 0.00 C ATOM 225 O GLN A 20 -2.049 -6.363 0.211 1.00 0.00 O ATOM 226 CB GLN A 20 -4.954 -5.631 1.718 1.00 0.00 C ATOM 227 CG GLN A 20 -5.237 -5.626 3.222 1.00 0.00 C ATOM 228 CD GLN A 20 -5.135 -7.037 3.804 1.00 0.00 C ATOM 229 OE1 GLN A 20 -6.123 -7.717 4.027 1.00 0.00 O ATOM 230 NE2 GLN A 20 -3.888 -7.438 4.036 1.00 0.00 N ATOM 0 H GLN A 20 -4.645 -3.170 1.561 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.936 -5.194 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.746 -5.096 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.961 -6.656 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.529 -4.969 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.233 -5.224 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.106 -6.818 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.714 -8.365 4.424 1.00 0.00 H new ATOM 239 N GLN A 21 -3.540 -5.160 -0.992 1.00 0.00 N ATOM 240 CA GLN A 21 -3.057 -5.637 -2.276 1.00 0.00 C ATOM 241 C GLN A 21 -1.558 -5.362 -2.415 1.00 0.00 C ATOM 242 O GLN A 21 -0.801 -6.230 -2.849 1.00 0.00 O ATOM 243 CB GLN A 21 -3.839 -5.002 -3.427 1.00 0.00 C ATOM 244 CG GLN A 21 -5.344 -5.211 -3.248 1.00 0.00 C ATOM 245 CD GLN A 21 -5.908 -6.106 -4.353 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.405 -7.181 -4.635 1.00 0.00 O ATOM 247 NE2 GLN A 21 -6.979 -5.604 -4.962 1.00 0.00 N ATOM 0 H GLN A 21 -4.318 -4.503 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.215 -6.714 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.620 -3.935 -3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.518 -5.437 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.539 -5.662 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.853 -4.247 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.350 -4.698 -4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.429 -6.126 -5.714 1.00 0.00 H new ATOM 256 N PHE A 22 -1.173 -4.151 -2.038 1.00 0.00 N ATOM 257 CA PHE A 22 0.221 -3.751 -2.115 1.00 0.00 C ATOM 258 C PHE A 22 1.067 -4.514 -1.093 1.00 0.00 C ATOM 259 O PHE A 22 2.072 -5.128 -1.449 1.00 0.00 O ATOM 260 CB PHE A 22 0.276 -2.257 -1.791 1.00 0.00 C ATOM 261 CG PHE A 22 1.673 -1.645 -1.913 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.513 -1.648 -0.843 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.076 -1.098 -3.091 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.809 -1.080 -0.956 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.372 -0.530 -3.204 1.00 0.00 C ATOM 266 CZ PHE A 22 4.212 -0.533 -2.134 1.00 0.00 C ATOM 0 H PHE A 22 -1.803 -3.434 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 22 0.616 -3.967 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.402 -1.726 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.090 -2.102 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.194 -2.083 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.410 -1.096 -3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.475 -1.082 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.691 -0.095 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.198 -0.101 -2.220 1.00 0.00 H new ATOM 276 N THR A 23 0.630 -4.449 0.156 1.00 0.00 N ATOM 277 CA THR A 23 1.335 -5.126 1.231 1.00 0.00 C ATOM 278 C THR A 23 1.462 -6.620 0.928 1.00 0.00 C ATOM 279 O THR A 23 2.341 -7.293 1.465 1.00 0.00 O ATOM 280 CB THR A 23 0.596 -4.833 2.539 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.741 -5.255 2.285 1.00 0.00 O ATOM 282 CG2 THR A 23 0.467 -3.333 2.814 1.00 0.00 C ATOM 0 H THR A 23 -0.203 -3.938 0.448 1.00 0.00 H new ATOM 0 HA THR A 23 2.356 -4.758 1.327 1.00 0.00 H new ATOM 0 HB THR A 23 1.120 -5.311 3.367 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.800 -5.630 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.065 -3.180 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.460 -2.889 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.086 -2.861 2.002 1.00 0.00 H new ATOM 290 N THR A 24 0.573 -7.095 0.068 1.00 0.00 N ATOM 291 CA THR A 24 0.576 -8.497 -0.313 1.00 0.00 C ATOM 292 C THR A 24 1.420 -8.706 -1.572 1.00 0.00 C ATOM 293 O THR A 24 2.231 -9.629 -1.633 1.00 0.00 O ATOM 294 CB THR A 24 -0.878 -8.945 -0.475 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.364 -9.038 0.861 1.00 0.00 O ATOM 296 CG2 THR A 24 -0.994 -10.373 -1.014 1.00 0.00 C ATOM 0 H THR A 24 -0.154 -6.534 -0.376 1.00 0.00 H new ATOM 0 HA THR A 24 1.039 -9.115 0.456 1.00 0.00 H new ATOM 0 HB THR A 24 -1.396 -8.260 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.749 -8.178 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.046 -10.641 -1.110 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.513 -10.433 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.505 -11.063 -0.326 1.00 0.00 H new ATOM 304 N ILE A 25 1.201 -7.834 -2.544 1.00 0.00 N ATOM 305 CA ILE A 25 1.932 -7.911 -3.798 1.00 0.00 C ATOM 306 C ILE A 25 3.408 -7.604 -3.542 1.00 0.00 C ATOM 307 O ILE A 25 4.278 -8.419 -3.850 1.00 0.00 O ATOM 308 CB ILE A 25 1.289 -7.005 -4.850 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.103 -7.512 -5.233 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.198 -6.850 -6.070 1.00 0.00 C ATOM 311 CD1 ILE A 25 -1.028 -6.349 -5.601 1.00 0.00 C ATOM 0 H ILE A 25 0.528 -7.070 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 25 1.882 -8.920 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 25 1.162 -6.014 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.025 -8.200 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.531 -8.073 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.717 -6.201 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.147 -6.410 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.379 -7.828 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.011 -6.737 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.123 -5.676 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.609 -5.805 -6.448 1.00 0.00 H new ATOM 323 N THR A 26 3.647 -6.428 -2.981 1.00 0.00 N ATOM 324 CA THR A 26 5.004 -6.004 -2.680 1.00 0.00 C ATOM 325 C THR A 26 5.561 -6.797 -1.497 1.00 0.00 C ATOM 326 O THR A 26 6.646 -7.370 -1.584 1.00 0.00 O ATOM 327 CB THR A 26 4.985 -4.492 -2.444 1.00 0.00 C ATOM 328 OG1 THR A 26 4.426 -4.352 -1.141 1.00 0.00 O ATOM 329 CG2 THR A 26 3.992 -3.769 -3.355 1.00 0.00 C ATOM 0 H THR A 26 2.924 -5.755 -2.727 1.00 0.00 H new ATOM 0 HA THR A 26 5.677 -6.209 -3.513 1.00 0.00 H new ATOM 0 HB THR A 26 5.984 -4.087 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.451 -4.433 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.019 -2.700 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.261 -3.942 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.987 -4.149 -3.172 1.00 0.00 H new ATOM 337 N GLY A 27 4.793 -6.806 -0.417 1.00 0.00 N ATOM 338 CA GLY A 27 5.196 -7.519 0.782 1.00 0.00 C ATOM 339 C GLY A 27 5.677 -6.548 1.862 1.00 0.00 C ATOM 340 O GLY A 27 6.398 -6.941 2.779 1.00 0.00 O ATOM 0 H GLY A 27 3.893 -6.330 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.358 -8.104 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.992 -8.223 0.540 1.00 0.00 H new ATOM 344 N ALA A 28 5.261 -5.299 1.718 1.00 0.00 N ATOM 345 CA ALA A 28 5.641 -4.269 2.670 1.00 0.00 C ATOM 346 C ALA A 28 4.607 -4.215 3.796 1.00 0.00 C ATOM 347 O ALA A 28 3.822 -5.146 3.969 1.00 0.00 O ATOM 348 CB ALA A 28 5.782 -2.930 1.944 1.00 0.00 C ATOM 0 H ALA A 28 4.664 -4.976 0.956 1.00 0.00 H new ATOM 0 HA ALA A 28 6.607 -4.500 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.067 -2.157 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.549 -3.013 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.831 -2.664 1.482 1.00 0.00 H new ATOM 354 N SER A 29 4.639 -3.115 4.535 1.00 0.00 N ATOM 355 CA SER A 29 3.715 -2.928 5.640 1.00 0.00 C ATOM 356 C SER A 29 2.556 -2.029 5.206 1.00 0.00 C ATOM 357 O SER A 29 2.659 -1.313 4.211 1.00 0.00 O ATOM 358 CB SER A 29 4.424 -2.329 6.856 1.00 0.00 C ATOM 359 OG SER A 29 3.865 -2.791 8.082 1.00 0.00 O ATOM 0 H SER A 29 5.291 -2.344 4.389 1.00 0.00 H new ATOM 0 HA SER A 29 3.323 -3.904 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.483 -2.586 6.821 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.358 -1.242 6.815 1.00 0.00 H new ATOM 0 HG SER A 29 4.346 -2.387 8.834 1.00 0.00 H new ATOM 365 N GLU A 30 1.477 -2.096 5.973 1.00 0.00 N ATOM 366 CA GLU A 30 0.300 -1.297 5.680 1.00 0.00 C ATOM 367 C GLU A 30 0.686 0.173 5.500 1.00 0.00 C ATOM 368 O GLU A 30 0.525 0.733 4.417 1.00 0.00 O ATOM 369 CB GLU A 30 -0.757 -1.456 6.775 1.00 0.00 C ATOM 370 CG GLU A 30 -1.965 -2.242 6.261 1.00 0.00 C ATOM 371 CD GLU A 30 -2.467 -3.229 7.317 1.00 0.00 C ATOM 372 OE1 GLU A 30 -1.955 -4.369 7.317 1.00 0.00 O ATOM 373 OE2 GLU A 30 -3.351 -2.820 8.101 1.00 0.00 O ATOM 0 H GLU A 30 1.394 -2.692 6.797 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.134 -1.655 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.323 -1.970 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.078 -0.473 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.765 -1.552 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.693 -2.782 5.354 1.00 0.00 H new ATOM 380 N SER A 31 1.189 0.755 6.579 1.00 0.00 N ATOM 381 CA SER A 31 1.600 2.149 6.554 1.00 0.00 C ATOM 382 C SER A 31 2.356 2.448 5.259 1.00 0.00 C ATOM 383 O SER A 31 2.151 3.493 4.643 1.00 0.00 O ATOM 384 CB SER A 31 2.469 2.488 7.767 1.00 0.00 C ATOM 385 OG SER A 31 1.799 2.220 8.996 1.00 0.00 O ATOM 0 H SER A 31 1.321 0.287 7.476 1.00 0.00 H new ATOM 0 HA SER A 31 0.706 2.771 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.392 1.910 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.749 3.541 7.729 1.00 0.00 H new ATOM 0 HG SER A 31 2.387 2.448 9.746 1.00 0.00 H new ATOM 391 N VAL A 32 3.216 1.513 4.883 1.00 0.00 N ATOM 392 CA VAL A 32 4.004 1.663 3.671 1.00 0.00 C ATOM 393 C VAL A 32 3.071 1.667 2.458 1.00 0.00 C ATOM 394 O VAL A 32 3.053 2.626 1.688 1.00 0.00 O ATOM 395 CB VAL A 32 5.071 0.569 3.601 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.876 0.670 2.304 1.00 0.00 C ATOM 397 CG2 VAL A 32 5.990 0.621 4.823 1.00 0.00 C ATOM 0 H VAL A 32 3.385 0.648 5.397 1.00 0.00 H new ATOM 0 HA VAL A 32 4.534 2.615 3.676 1.00 0.00 H new ATOM 0 HB VAL A 32 4.563 -0.395 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.627 -0.119 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.207 0.560 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.368 1.641 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.739 -0.167 4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.486 1.591 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.400 0.476 5.728 1.00 0.00 H new ATOM 407 N GLY A 33 2.319 0.584 2.327 1.00 0.00 N ATOM 408 CA GLY A 33 1.387 0.451 1.220 1.00 0.00 C ATOM 409 C GLY A 33 0.481 1.680 1.115 1.00 0.00 C ATOM 410 O GLY A 33 -0.054 1.971 0.047 1.00 0.00 O ATOM 0 H GLY A 33 2.336 -0.209 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.939 0.321 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.779 -0.443 1.357 1.00 0.00 H new ATOM 414 N LYS A 34 0.338 2.367 2.239 1.00 0.00 N ATOM 415 CA LYS A 34 -0.494 3.558 2.287 1.00 0.00 C ATOM 416 C LYS A 34 0.306 4.754 1.766 1.00 0.00 C ATOM 417 O LYS A 34 -0.185 5.521 0.939 1.00 0.00 O ATOM 418 CB LYS A 34 -1.058 3.761 3.694 1.00 0.00 C ATOM 419 CG LYS A 34 -2.112 4.870 3.708 1.00 0.00 C ATOM 420 CD LYS A 34 -2.532 5.210 5.139 1.00 0.00 C ATOM 421 CE LYS A 34 -3.867 4.549 5.490 1.00 0.00 C ATOM 422 NZ LYS A 34 -3.838 4.027 6.875 1.00 0.00 N ATOM 0 H LYS A 34 0.784 2.122 3.123 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.360 3.445 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.500 2.830 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.250 4.014 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.715 5.760 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.984 4.555 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.763 4.878 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.617 6.291 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.676 5.271 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.072 3.736 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.751 3.582 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.078 3.322 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.664 4.810 7.537 1.00 0.00 H new ATOM 436 N HIS A 35 1.524 4.876 2.271 1.00 0.00 N ATOM 437 CA HIS A 35 2.397 5.966 1.868 1.00 0.00 C ATOM 438 C HIS A 35 2.666 5.877 0.364 1.00 0.00 C ATOM 439 O HIS A 35 2.781 6.899 -0.311 1.00 0.00 O ATOM 440 CB HIS A 35 3.680 5.972 2.701 1.00 0.00 C ATOM 441 CG HIS A 35 4.708 6.976 2.237 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.844 8.229 2.809 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.649 6.898 1.252 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.824 8.868 2.188 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.321 8.042 1.223 1.00 0.00 N ATOM 0 H HIS A 35 1.928 4.238 2.956 1.00 0.00 H new ATOM 0 HA HIS A 35 1.906 6.920 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.426 6.181 3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.122 4.976 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.818 6.049 0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.169 9.868 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.084 8.267 0.584 1.00 0.00 H new ATOM 453 N MET A 36 2.760 4.645 -0.116 1.00 0.00 N ATOM 454 CA MET A 36 3.015 4.410 -1.527 1.00 0.00 C ATOM 455 C MET A 36 1.774 4.720 -2.367 1.00 0.00 C ATOM 456 O MET A 36 1.882 5.280 -3.457 1.00 0.00 O ATOM 457 CB MET A 36 3.420 2.949 -1.736 1.00 0.00 C ATOM 458 CG MET A 36 4.489 2.528 -0.725 1.00 0.00 C ATOM 459 SD MET A 36 6.098 2.538 -1.498 1.00 0.00 S ATOM 460 CE MET A 36 6.112 4.194 -2.162 1.00 0.00 C ATOM 0 H MET A 36 2.664 3.800 0.447 1.00 0.00 H new ATOM 0 HA MET A 36 3.822 5.070 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.545 2.307 -1.635 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.799 2.814 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.482 3.207 0.128 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.267 1.532 -0.342 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.120 4.445 -2.492 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.428 4.252 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.797 4.898 -1.392 1.00 0.00 H new ATOM 470 N LEU A 37 0.624 4.343 -1.828 1.00 0.00 N ATOM 471 CA LEU A 37 -0.636 4.574 -2.514 1.00 0.00 C ATOM 472 C LEU A 37 -0.958 6.070 -2.489 1.00 0.00 C ATOM 473 O LEU A 37 -1.312 6.649 -3.515 1.00 0.00 O ATOM 474 CB LEU A 37 -1.739 3.697 -1.919 1.00 0.00 C ATOM 475 CG LEU A 37 -1.802 2.258 -2.434 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.601 1.369 -1.479 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.355 2.209 -3.860 1.00 0.00 C ATOM 0 H LEU A 37 0.538 3.879 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.559 4.281 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.610 3.669 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.700 4.174 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.787 1.863 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.631 0.351 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.125 1.369 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.617 1.753 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.389 1.174 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.361 2.629 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.710 2.788 -4.521 1.00 0.00 H new ATOM 489 N GLU A 38 -0.825 6.651 -1.306 1.00 0.00 N ATOM 490 CA GLU A 38 -1.098 8.068 -1.134 1.00 0.00 C ATOM 491 C GLU A 38 -0.117 8.902 -1.961 1.00 0.00 C ATOM 492 O GLU A 38 -0.347 10.088 -2.193 1.00 0.00 O ATOM 493 CB GLU A 38 -1.043 8.462 0.343 1.00 0.00 C ATOM 494 CG GLU A 38 -2.450 8.651 0.913 1.00 0.00 C ATOM 495 CD GLU A 38 -3.224 9.708 0.123 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.570 10.675 -0.323 1.00 0.00 O ATOM 497 OE2 GLU A 38 -4.453 9.524 -0.019 1.00 0.00 O ATOM 0 H GLU A 38 -0.532 6.167 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.108 8.269 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.518 7.693 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.474 9.385 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.988 7.704 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.385 8.949 1.959 1.00 0.00 H new ATOM 504 N ALA A 39 0.956 8.249 -2.382 1.00 0.00 N ATOM 505 CA ALA A 39 1.973 8.915 -3.177 1.00 0.00 C ATOM 506 C ALA A 39 1.694 8.671 -4.662 1.00 0.00 C ATOM 507 O ALA A 39 2.460 9.106 -5.521 1.00 0.00 O ATOM 508 CB ALA A 39 3.358 8.420 -2.755 1.00 0.00 C ATOM 0 H ALA A 39 1.143 7.265 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 39 1.947 9.992 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.121 8.920 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.518 8.643 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.423 7.343 -2.912 1.00 0.00 H new ATOM 514 N CYS A 40 0.596 7.976 -4.919 1.00 0.00 N ATOM 515 CA CYS A 40 0.206 7.669 -6.284 1.00 0.00 C ATOM 516 C CYS A 40 -1.267 8.042 -6.459 1.00 0.00 C ATOM 517 O CYS A 40 -1.874 7.727 -7.481 1.00 0.00 O ATOM 518 CB CYS A 40 0.469 6.202 -6.631 1.00 0.00 C ATOM 519 SG CYS A 40 2.205 5.987 -7.168 1.00 0.00 S ATOM 0 H CYS A 40 -0.036 7.616 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 40 0.812 8.252 -6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.267 5.573 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.208 5.880 -7.423 1.00 0.00 H new ATOM 0 HG CYS A 40 2.804 7.141 -7.173 1.00 0.00 H new ATOM 525 N ASN A 41 -1.800 8.709 -5.446 1.00 0.00 N ATOM 526 CA ASN A 41 -3.191 9.129 -5.475 1.00 0.00 C ATOM 527 C ASN A 41 -4.091 7.911 -5.252 1.00 0.00 C ATOM 528 O ASN A 41 -5.212 7.864 -5.755 1.00 0.00 O ATOM 529 CB ASN A 41 -3.553 9.743 -6.828 1.00 0.00 C ATOM 530 CG ASN A 41 -4.532 10.906 -6.658 1.00 0.00 C ATOM 531 OD1 ASN A 41 -5.071 11.147 -5.590 1.00 0.00 O ATOM 532 ND2 ASN A 41 -4.731 11.612 -7.767 1.00 0.00 N ATOM 0 H ASN A 41 -1.294 8.969 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.335 9.873 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.649 10.094 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.995 8.981 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.367 12.409 -7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.248 11.356 -8.628 1.00 0.00 H new ATOM 539 N ASN A 42 -3.566 6.957 -4.497 1.00 0.00 N ATOM 540 CA ASN A 42 -4.308 5.743 -4.202 1.00 0.00 C ATOM 541 C ASN A 42 -4.320 4.844 -5.440 1.00 0.00 C ATOM 542 O ASN A 42 -5.372 4.347 -5.840 1.00 0.00 O ATOM 543 CB ASN A 42 -5.758 6.060 -3.833 1.00 0.00 C ATOM 544 CG ASN A 42 -5.847 7.350 -3.014 1.00 0.00 C ATOM 545 OD1 ASN A 42 -4.856 7.892 -2.554 1.00 0.00 O ATOM 546 ND2 ASN A 42 -7.086 7.808 -2.859 1.00 0.00 N ATOM 0 H ASN A 42 -2.636 7.000 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.823 5.247 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.354 6.159 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.181 5.233 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.251 8.663 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.871 7.304 -3.271 1.00 0.00 H new ATOM 553 N ASN A 43 -3.139 4.663 -6.012 1.00 0.00 N ATOM 554 CA ASN A 43 -3.000 3.833 -7.196 1.00 0.00 C ATOM 555 C ASN A 43 -2.036 2.683 -6.898 1.00 0.00 C ATOM 556 O ASN A 43 -0.821 2.875 -6.883 1.00 0.00 O ATOM 557 CB ASN A 43 -2.432 4.635 -8.368 1.00 0.00 C ATOM 558 CG ASN A 43 -3.479 4.818 -9.468 1.00 0.00 C ATOM 559 OD1 ASN A 43 -3.071 4.433 -10.674 1.00 0.00 O flip ATOM 560 ND2 ASN A 43 -4.586 5.277 -9.237 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.269 5.077 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.988 3.458 -7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.095 5.610 -8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.559 4.124 -8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.836 5.553 -8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.262 5.384 -9.994 1.00 0.00 H new ATOM 567 N LEU A 44 -2.614 1.513 -6.668 1.00 0.00 N ATOM 568 CA LEU A 44 -1.821 0.332 -6.371 1.00 0.00 C ATOM 569 C LEU A 44 -0.831 0.088 -7.512 1.00 0.00 C ATOM 570 O LEU A 44 0.368 -0.058 -7.278 1.00 0.00 O ATOM 571 CB LEU A 44 -2.729 -0.863 -6.078 1.00 0.00 C ATOM 572 CG LEU A 44 -2.040 -2.228 -6.010 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.391 -2.447 -4.642 1.00 0.00 C ATOM 574 CD2 LEU A 44 -3.014 -3.352 -6.370 1.00 0.00 C ATOM 0 H LEU A 44 -3.622 1.358 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.233 0.485 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.235 -0.686 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.500 -0.905 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.241 -2.245 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.909 -3.424 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.647 -1.671 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.155 -2.402 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.499 -4.311 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.850 -3.347 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.388 -3.199 -7.383 1.00 0.00 H new ATOM 586 N GLU A 45 -1.369 0.051 -8.722 1.00 0.00 N ATOM 587 CA GLU A 45 -0.548 -0.174 -9.900 1.00 0.00 C ATOM 588 C GLU A 45 0.702 0.708 -9.851 1.00 0.00 C ATOM 589 O GLU A 45 1.823 0.202 -9.861 1.00 0.00 O ATOM 590 CB GLU A 45 -1.347 0.077 -11.180 1.00 0.00 C ATOM 591 CG GLU A 45 -2.100 -1.183 -11.612 1.00 0.00 C ATOM 592 CD GLU A 45 -1.244 -2.040 -12.547 1.00 0.00 C ATOM 593 OE1 GLU A 45 -1.184 -1.686 -13.745 1.00 0.00 O ATOM 594 OE2 GLU A 45 -0.669 -3.028 -12.044 1.00 0.00 O ATOM 0 H GLU A 45 -2.364 0.173 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.233 -1.217 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.054 0.890 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.674 0.394 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.378 -1.764 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.026 -0.903 -12.115 1.00 0.00 H new ATOM 601 N MET A 46 0.466 2.011 -9.800 1.00 0.00 N ATOM 602 CA MET A 46 1.559 2.967 -9.750 1.00 0.00 C ATOM 603 C MET A 46 2.440 2.729 -8.522 1.00 0.00 C ATOM 604 O MET A 46 3.654 2.572 -8.646 1.00 0.00 O ATOM 605 CB MET A 46 0.993 4.388 -9.705 1.00 0.00 C ATOM 606 CG MET A 46 0.141 4.678 -10.942 1.00 0.00 C ATOM 607 SD MET A 46 1.146 5.431 -12.211 1.00 0.00 S ATOM 608 CE MET A 46 0.976 7.150 -11.761 1.00 0.00 C ATOM 0 H MET A 46 -0.465 2.427 -9.792 1.00 0.00 H new ATOM 0 HA MET A 46 2.171 2.838 -10.643 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.390 4.515 -8.806 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.810 5.107 -9.645 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.299 3.754 -11.316 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.684 5.340 -10.679 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.546 7.766 -12.456 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.075 7.434 -11.802 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.354 7.300 -10.750 1.00 0.00 H new ATOM 618 N ALA A 47 1.795 2.710 -7.365 1.00 0.00 N ATOM 619 CA ALA A 47 2.505 2.494 -6.116 1.00 0.00 C ATOM 620 C ALA A 47 3.433 1.286 -6.264 1.00 0.00 C ATOM 621 O ALA A 47 4.630 1.383 -6.000 1.00 0.00 O ATOM 622 CB ALA A 47 1.496 2.319 -4.979 1.00 0.00 C ATOM 0 H ALA A 47 0.788 2.841 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 47 3.124 3.357 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.028 2.157 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.881 3.215 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.858 1.460 -5.187 1.00 0.00 H new ATOM 628 N VAL A 48 2.844 0.177 -6.685 1.00 0.00 N ATOM 629 CA VAL A 48 3.603 -1.048 -6.871 1.00 0.00 C ATOM 630 C VAL A 48 4.801 -0.768 -7.781 1.00 0.00 C ATOM 631 O VAL A 48 5.945 -1.006 -7.398 1.00 0.00 O ATOM 632 CB VAL A 48 2.690 -2.153 -7.407 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.508 -3.343 -7.913 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.681 -2.594 -6.345 1.00 0.00 C ATOM 0 H VAL A 48 1.850 0.101 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 48 3.995 -1.403 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 48 2.132 -1.746 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.835 -4.114 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.168 -3.015 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.104 -3.749 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.045 -3.380 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.213 -2.973 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.065 -1.743 -6.053 1.00 0.00 H new ATOM 644 N THR A 49 4.496 -0.267 -8.969 1.00 0.00 N ATOM 645 CA THR A 49 5.533 0.048 -9.937 1.00 0.00 C ATOM 646 C THR A 49 6.567 0.993 -9.322 1.00 0.00 C ATOM 647 O THR A 49 7.766 0.836 -9.545 1.00 0.00 O ATOM 648 CB THR A 49 4.856 0.618 -11.186 1.00 0.00 C ATOM 649 OG1 THR A 49 4.106 -0.477 -11.704 1.00 0.00 O ATOM 650 CG2 THR A 49 5.857 0.943 -12.297 1.00 0.00 C ATOM 0 H THR A 49 3.546 -0.071 -9.283 1.00 0.00 H new ATOM 0 HA THR A 49 6.087 -0.844 -10.228 1.00 0.00 H new ATOM 0 HB THR A 49 4.303 1.519 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.236 -0.519 -11.255 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.325 1.344 -13.160 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.573 1.681 -11.937 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.386 0.035 -12.587 1.00 0.00 H new ATOM 658 N MET A 50 6.065 1.954 -8.560 1.00 0.00 N ATOM 659 CA MET A 50 6.930 2.923 -7.911 1.00 0.00 C ATOM 660 C MET A 50 7.832 2.248 -6.875 1.00 0.00 C ATOM 661 O MET A 50 9.053 2.386 -6.926 1.00 0.00 O ATOM 662 CB MET A 50 6.076 3.992 -7.225 1.00 0.00 C ATOM 663 CG MET A 50 5.275 4.795 -8.251 1.00 0.00 C ATOM 664 SD MET A 50 5.643 6.534 -8.087 1.00 0.00 S ATOM 665 CE MET A 50 5.420 6.733 -6.327 1.00 0.00 C ATOM 0 H MET A 50 5.070 2.082 -8.378 1.00 0.00 H new ATOM 0 HA MET A 50 7.562 3.382 -8.671 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.396 3.520 -6.516 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.717 4.663 -6.653 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.517 4.457 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.208 4.625 -8.105 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.872 7.655 -6.132 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.858 5.886 -5.933 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.394 6.780 -5.840 1.00 0.00 H new ATOM 675 N PHE A 51 7.195 1.532 -5.961 1.00 0.00 N ATOM 676 CA PHE A 51 7.923 0.834 -4.915 1.00 0.00 C ATOM 677 C PHE A 51 8.821 -0.256 -5.505 1.00 0.00 C ATOM 678 O PHE A 51 10.008 -0.325 -5.192 1.00 0.00 O ATOM 679 CB PHE A 51 6.883 0.183 -4.002 1.00 0.00 C ATOM 680 CG PHE A 51 7.480 -0.734 -2.933 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.052 -0.200 -1.822 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.437 -2.084 -3.094 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.607 -1.051 -0.829 1.00 0.00 C ATOM 684 CE2 PHE A 51 7.991 -2.935 -2.102 1.00 0.00 C ATOM 685 CZ PHE A 51 8.564 -2.401 -0.990 1.00 0.00 C ATOM 0 H PHE A 51 6.182 1.420 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 51 8.557 1.535 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.304 0.966 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.188 -0.393 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.085 0.872 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.981 -2.508 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.063 -0.626 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.957 -4.007 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.985 -3.049 -0.235 1.00 0.00 H new ATOM 695 N LEU A 52 8.218 -1.080 -6.350 1.00 0.00 N ATOM 696 CA LEU A 52 8.948 -2.163 -6.987 1.00 0.00 C ATOM 697 C LEU A 52 10.215 -1.605 -7.638 1.00 0.00 C ATOM 698 O LEU A 52 11.326 -1.962 -7.249 1.00 0.00 O ATOM 699 CB LEU A 52 8.040 -2.922 -7.957 1.00 0.00 C ATOM 700 CG LEU A 52 7.112 -3.964 -7.331 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.290 -4.682 -8.404 1.00 0.00 C ATOM 702 CD2 LEU A 52 7.898 -4.946 -6.460 1.00 0.00 C ATOM 0 H LEU A 52 7.233 -1.019 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 52 9.267 -2.896 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.429 -2.197 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.667 -3.420 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 52 6.409 -3.446 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.639 -5.418 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.684 -3.955 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.961 -5.185 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.214 -5.676 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.640 -5.461 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.401 -4.401 -5.661 1.00 0.00 H new ATOM 714 N ASP A 53 10.005 -0.739 -8.619 1.00 0.00 N ATOM 715 CA ASP A 53 11.117 -0.128 -9.328 1.00 0.00 C ATOM 716 C ASP A 53 12.138 0.393 -8.315 1.00 0.00 C ATOM 717 O ASP A 53 13.338 0.169 -8.466 1.00 0.00 O ATOM 718 CB ASP A 53 10.646 1.055 -10.176 1.00 0.00 C ATOM 719 CG ASP A 53 11.763 1.855 -10.847 1.00 0.00 C ATOM 720 OD1 ASP A 53 12.748 1.211 -11.269 1.00 0.00 O ATOM 721 OD2 ASP A 53 11.608 3.093 -10.924 1.00 0.00 O ATOM 0 H ASP A 53 9.082 -0.446 -8.939 1.00 0.00 H new ATOM 0 HA ASP A 53 11.559 -0.884 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.972 0.684 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.067 1.728 -9.544 1.00 0.00 H new ATOM 726 N GLY A 54 11.624 1.079 -7.304 1.00 0.00 N ATOM 727 CA GLY A 54 12.476 1.634 -6.266 1.00 0.00 C ATOM 728 C GLY A 54 12.417 0.783 -4.996 1.00 0.00 C ATOM 729 O GLY A 54 11.765 1.159 -4.023 1.00 0.00 O ATOM 0 H GLY A 54 10.628 1.263 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.504 1.688 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.163 2.653 -6.040 1.00 0.00 H new ATOM 733 N GLY A 55 13.108 -0.346 -5.046 1.00 0.00 N ATOM 734 CA GLY A 55 13.143 -1.253 -3.911 1.00 0.00 C ATOM 735 C GLY A 55 14.478 -1.997 -3.845 1.00 0.00 C ATOM 736 O GLY A 55 15.511 -1.462 -4.242 1.00 0.00 O ATOM 0 H GLY A 55 13.648 -0.654 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.989 -0.693 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.326 -1.970 -3.989 1.00 0.00 H new ATOM 740 N GLY A 56 14.413 -3.220 -3.339 1.00 0.00 N ATOM 741 CA GLY A 56 15.604 -4.043 -3.215 1.00 0.00 C ATOM 742 C GLY A 56 15.566 -5.215 -4.199 1.00 0.00 C ATOM 743 O GLY A 56 14.930 -6.233 -3.933 1.00 0.00 O ATOM 0 H GLY A 56 13.554 -3.661 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.490 -3.436 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.684 -4.422 -2.196 1.00 0.00 H new ATOM 747 N SER A 57 16.254 -5.030 -5.316 1.00 0.00 N ATOM 748 CA SER A 57 16.307 -6.059 -6.341 1.00 0.00 C ATOM 749 C SER A 57 17.284 -5.648 -7.444 1.00 0.00 C ATOM 750 O SER A 57 17.490 -4.460 -7.685 1.00 0.00 O ATOM 751 CB SER A 57 14.920 -6.321 -6.930 1.00 0.00 C ATOM 752 OG SER A 57 14.983 -7.121 -8.108 1.00 0.00 O ATOM 0 H SER A 57 16.779 -4.183 -5.534 1.00 0.00 H new ATOM 0 HA SER A 57 16.657 -6.983 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.298 -6.819 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.439 -5.371 -7.162 1.00 0.00 H new ATOM 0 HG SER A 57 14.077 -7.267 -8.453 1.00 0.00 H new ATOM 758 N GLY A 58 17.861 -6.655 -8.085 1.00 0.00 N ATOM 759 CA GLY A 58 18.811 -6.414 -9.157 1.00 0.00 C ATOM 760 C GLY A 58 18.517 -7.308 -10.363 1.00 0.00 C ATOM 761 O GLY A 58 19.262 -8.246 -10.641 1.00 0.00 O ATOM 0 H GLY A 58 17.688 -7.640 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.768 -5.367 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 19.823 -6.602 -8.799 1.00 0.00 H new ATOM 765 N PRO A 59 17.399 -6.978 -11.064 1.00 0.00 N ATOM 766 CA PRO A 59 16.997 -7.740 -12.233 1.00 0.00 C ATOM 767 C PRO A 59 17.889 -7.415 -13.434 1.00 0.00 C ATOM 768 O PRO A 59 18.463 -8.314 -14.046 1.00 0.00 O ATOM 769 CB PRO A 59 15.539 -7.374 -12.460 1.00 0.00 C ATOM 770 CG PRO A 59 15.313 -6.077 -11.699 1.00 0.00 C ATOM 771 CD PRO A 59 16.493 -5.873 -10.764 1.00 0.00 C ATOM 0 HA PRO A 59 17.106 -8.815 -12.091 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.329 -7.246 -13.522 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.877 -8.161 -12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.225 -5.239 -12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.382 -6.123 -11.134 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.973 -4.910 -10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.179 -5.891 -9.720 1.00 0.00 H new ATOM 779 N SER A 60 17.976 -6.127 -13.733 1.00 0.00 N ATOM 780 CA SER A 60 18.788 -5.672 -14.849 1.00 0.00 C ATOM 781 C SER A 60 19.408 -4.312 -14.525 1.00 0.00 C ATOM 782 O SER A 60 18.747 -3.445 -13.955 1.00 0.00 O ATOM 783 CB SER A 60 17.960 -5.586 -16.133 1.00 0.00 C ATOM 784 OG SER A 60 18.738 -5.139 -17.241 1.00 0.00 O ATOM 0 H SER A 60 17.498 -5.385 -13.222 1.00 0.00 H new ATOM 0 HA SER A 60 19.585 -6.398 -15.011 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.537 -6.565 -16.358 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.123 -4.905 -15.980 1.00 0.00 H new ATOM 0 HG SER A 60 18.174 -5.099 -18.042 1.00 0.00 H new ATOM 790 N SER A 61 20.670 -4.168 -14.901 1.00 0.00 N ATOM 791 CA SER A 61 21.387 -2.928 -14.657 1.00 0.00 C ATOM 792 C SER A 61 22.618 -2.848 -15.561 1.00 0.00 C ATOM 793 O SER A 61 23.724 -3.189 -15.142 1.00 0.00 O ATOM 794 CB SER A 61 21.799 -2.809 -13.188 1.00 0.00 C ATOM 795 OG SER A 61 22.748 -3.805 -12.818 1.00 0.00 O ATOM 0 H SER A 61 21.215 -4.890 -15.373 1.00 0.00 H new ATOM 0 HA SER A 61 20.720 -2.097 -14.888 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.222 -1.821 -13.009 1.00 0.00 H new ATOM 0 HB3 SER A 61 20.916 -2.897 -12.555 1.00 0.00 H new ATOM 0 HG SER A 61 23.435 -3.876 -13.513 1.00 0.00 H new ATOM 801 N GLY A 62 22.386 -2.397 -16.785 1.00 0.00 N ATOM 802 CA GLY A 62 23.463 -2.269 -17.752 1.00 0.00 C ATOM 803 C GLY A 62 23.025 -1.427 -18.952 1.00 0.00 C ATOM 804 O GLY A 62 23.744 -0.523 -19.376 1.00 0.00 O ATOM 0 H GLY A 62 21.468 -2.116 -17.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.330 -1.809 -17.277 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.772 -3.258 -18.090 1.00 0.00 H new TER 808 GLY A 62