USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 1 ASN N :NH3+ 144:sc= 0.0278 (180deg=-0.283) USER MOD Single : A 2 GLN : amide:sc= -0.239 K(o=-0.24,f=-1) USER MOD Single : A 4 SER OG : rot -110:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.03 X(o=-1,f=-1.2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.719 K(o=-0.72,f=-1.3) USER MOD Single : A 15 THR OG1 : rot 78:sc= -0.0606 USER MOD Single : A 18 THR OG1 : rot -98:sc= 1.43 USER MOD Single : A 21 MET CE :methyl 171:sc= -7.62! (180deg=-7.75!) USER MOD Single : A 22 MET CE :methyl -137:sc= -3.19 (180deg=-6.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 42 SER OG : rot 180:sc= -0.269 USER MOD Single : A 43 MET CE :methyl -99:sc= -2.56 (180deg=-3.39!) USER MOD Single : A 44 GLN : amide:sc=-0.00212 X(o=-0.0021,f=-0.25) USER MOD Single : A 46 ASN : amide:sc= -2.49 K(o=-2.5,f=-5.9!) USER MOD Single : A 53 THR OG1 : rot 97:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 161:sc= -1.31 (180deg=-1.72) USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0538) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.850 -12.510 -4.559 1.00 0.00 N ATOM 2 CA ASN A 1 -14.690 -11.040 -4.742 1.00 0.00 C ATOM 3 C ASN A 1 -13.218 -10.716 -4.985 1.00 0.00 C ATOM 4 O ASN A 1 -12.327 -11.328 -4.395 1.00 0.00 O ATOM 5 CB ASN A 1 -15.174 -10.314 -3.482 1.00 0.00 C ATOM 6 CG ASN A 1 -16.609 -9.839 -3.685 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.901 -8.650 -3.558 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.533 -10.706 -3.996 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.588 -12.693 -3.850 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.123 -12.945 -5.463 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.950 -12.920 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.280 -10.712 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.119 -10.981 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.526 -9.464 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.496 -10.398 -4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.293 -11.692 -4.102 1.00 0.00 H new ATOM 14 N GLN A 2 -12.977 -9.745 -5.861 1.00 0.00 N ATOM 15 CA GLN A 2 -11.610 -9.343 -6.181 1.00 0.00 C ATOM 16 C GLN A 2 -11.012 -8.530 -5.036 1.00 0.00 C ATOM 17 O GLN A 2 -11.593 -7.541 -4.588 1.00 0.00 O ATOM 18 CB GLN A 2 -11.584 -8.500 -7.456 1.00 0.00 C ATOM 19 CG GLN A 2 -10.146 -8.389 -7.967 1.00 0.00 C ATOM 20 CD GLN A 2 -9.665 -9.758 -8.434 1.00 0.00 C ATOM 21 OE1 GLN A 2 -10.421 -10.515 -9.041 1.00 0.00 O ATOM 22 NE2 GLN A 2 -8.437 -10.124 -8.184 1.00 0.00 N ATOM 0 H GLN A 2 -13.701 -9.226 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.021 -10.247 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.218 -8.954 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.988 -7.507 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.095 -7.674 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.496 -8.014 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.810 -9.496 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.104 -11.038 -8.492 1.00 0.00 H new ATOM 31 N ALA A 3 -9.843 -8.958 -4.570 1.00 0.00 N ATOM 32 CA ALA A 3 -9.169 -8.265 -3.476 1.00 0.00 C ATOM 33 C ALA A 3 -8.113 -7.309 -4.023 1.00 0.00 C ATOM 34 O ALA A 3 -7.563 -7.521 -5.103 1.00 0.00 O ATOM 35 CB ALA A 3 -8.495 -9.268 -2.539 1.00 0.00 C ATOM 0 H ALA A 3 -9.346 -9.773 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.920 -7.701 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.998 -8.733 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.247 -9.939 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.759 -9.849 -3.096 1.00 0.00 H new ATOM 41 N SER A 4 -7.838 -6.252 -3.263 1.00 0.00 N ATOM 42 CA SER A 4 -6.847 -5.265 -3.678 1.00 0.00 C ATOM 43 C SER A 4 -5.920 -4.920 -2.517 1.00 0.00 C ATOM 44 O SER A 4 -6.058 -5.452 -1.415 1.00 0.00 O ATOM 45 CB SER A 4 -7.533 -3.988 -4.162 1.00 0.00 C ATOM 46 OG SER A 4 -8.313 -4.281 -5.314 1.00 0.00 O ATOM 0 H SER A 4 -8.283 -6.058 -2.366 1.00 0.00 H new ATOM 0 HA SER A 4 -6.265 -5.696 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.166 -3.581 -3.374 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.788 -3.228 -4.397 1.00 0.00 H new ATOM 0 HG SER A 4 -7.900 -3.870 -6.102 1.00 0.00 H new ATOM 52 N VAL A 5 -4.974 -4.023 -2.775 1.00 0.00 N ATOM 53 CA VAL A 5 -4.027 -3.609 -1.743 1.00 0.00 C ATOM 54 C VAL A 5 -4.555 -2.387 -1.000 1.00 0.00 C ATOM 55 O VAL A 5 -5.249 -1.546 -1.572 1.00 0.00 O ATOM 56 CB VAL A 5 -2.668 -3.271 -2.363 1.00 0.00 C ATOM 57 CG1 VAL A 5 -1.643 -3.033 -1.252 1.00 0.00 C ATOM 58 CG2 VAL A 5 -2.202 -4.436 -3.241 1.00 0.00 C ATOM 0 H VAL A 5 -4.842 -3.572 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.907 -4.437 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.763 -2.371 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.676 -2.793 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.972 -2.204 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.550 -3.933 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.235 -4.195 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.109 -5.336 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.930 -4.608 -4.034 1.00 0.00 H new ATOM 68 N VAL A 6 -4.219 -2.298 0.284 1.00 0.00 N ATOM 69 CA VAL A 6 -4.663 -1.175 1.103 1.00 0.00 C ATOM 70 C VAL A 6 -3.581 -0.800 2.114 1.00 0.00 C ATOM 71 O VAL A 6 -2.832 -1.652 2.591 1.00 0.00 O ATOM 72 CB VAL A 6 -5.953 -1.536 1.850 1.00 0.00 C ATOM 73 CG1 VAL A 6 -6.447 -0.331 2.656 1.00 0.00 C ATOM 74 CG2 VAL A 6 -7.028 -1.940 0.841 1.00 0.00 C ATOM 0 H VAL A 6 -3.646 -2.984 0.776 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.855 -0.326 0.446 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.751 -2.365 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.363 -0.597 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.685 -0.039 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.645 0.502 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.946 -2.197 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.221 -1.109 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.685 -2.803 0.270 1.00 0.00 H new ATOM 84 N ALA A 7 -3.516 0.488 2.436 1.00 0.00 N ATOM 85 CA ALA A 7 -2.529 0.974 3.395 1.00 0.00 C ATOM 86 C ALA A 7 -2.855 0.457 4.793 1.00 0.00 C ATOM 87 O ALA A 7 -4.016 0.235 5.135 1.00 0.00 O ATOM 88 CB ALA A 7 -2.512 2.503 3.419 1.00 0.00 C ATOM 0 H ALA A 7 -4.128 1.208 2.052 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.549 0.608 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.770 2.847 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.258 2.880 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.496 2.873 3.706 1.00 0.00 H new ATOM 94 N ASN A 8 -1.814 0.270 5.597 1.00 0.00 N ATOM 95 CA ASN A 8 -1.993 -0.223 6.960 1.00 0.00 C ATOM 96 C ASN A 8 -1.656 0.863 7.983 1.00 0.00 C ATOM 97 O ASN A 8 -2.123 0.822 9.122 1.00 0.00 O ATOM 98 CB ASN A 8 -1.096 -1.438 7.207 1.00 0.00 C ATOM 99 CG ASN A 8 -1.613 -2.218 8.411 1.00 0.00 C ATOM 100 OD1 ASN A 8 -2.282 -1.660 9.281 1.00 0.00 O ATOM 101 ND2 ASN A 8 -1.341 -3.490 8.514 1.00 0.00 N ATOM 0 H ASN A 8 -0.845 0.450 5.333 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.039 -0.508 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.082 -2.078 6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.070 -1.116 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.683 -4.021 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.787 -3.953 7.794 1.00 0.00 H new ATOM 108 N GLN A 9 -0.843 1.836 7.571 1.00 0.00 N ATOM 109 CA GLN A 9 -0.459 2.922 8.465 1.00 0.00 C ATOM 110 C GLN A 9 -0.216 4.200 7.671 1.00 0.00 C ATOM 111 O GLN A 9 -0.327 4.215 6.445 1.00 0.00 O ATOM 112 CB GLN A 9 0.816 2.560 9.231 1.00 0.00 C ATOM 113 CG GLN A 9 1.909 2.155 8.240 1.00 0.00 C ATOM 114 CD GLN A 9 3.277 2.482 8.829 1.00 0.00 C ATOM 115 OE1 GLN A 9 3.834 3.547 8.570 1.00 0.00 O ATOM 116 NE2 GLN A 9 3.857 1.617 9.617 1.00 0.00 N ATOM 0 H GLN A 9 -0.443 1.893 6.634 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.273 3.081 9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.148 3.410 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.617 1.742 9.924 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.840 1.089 8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.772 2.683 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.395 0.733 9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.772 1.825 10.017 1.00 0.00 H new ATOM 125 N LEU A 10 0.110 5.272 8.383 1.00 0.00 N ATOM 126 CA LEU A 10 0.360 6.556 7.735 1.00 0.00 C ATOM 127 C LEU A 10 1.642 6.505 6.909 1.00 0.00 C ATOM 128 O LEU A 10 2.743 6.679 7.431 1.00 0.00 O ATOM 129 CB LEU A 10 0.484 7.668 8.779 1.00 0.00 C ATOM 130 CG LEU A 10 0.532 9.028 8.079 1.00 0.00 C ATOM 131 CD1 LEU A 10 -0.804 9.293 7.381 1.00 0.00 C ATOM 132 CD2 LEU A 10 0.791 10.125 9.114 1.00 0.00 C ATOM 0 H LEU A 10 0.207 5.280 9.398 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.484 6.766 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.361 7.631 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.385 7.522 9.375 1.00 0.00 H new ATOM 0 HG LEU A 10 1.333 9.027 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.768 10.262 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.990 8.512 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.606 9.294 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.825 11.094 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.010 10.125 9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.743 9.939 9.611 1.00 0.00 H new ATOM 144 N ILE A 11 1.484 6.271 5.608 1.00 0.00 N ATOM 145 CA ILE A 11 2.632 6.209 4.709 1.00 0.00 C ATOM 146 C ILE A 11 2.932 7.611 4.150 1.00 0.00 C ATOM 147 O ILE A 11 2.087 8.196 3.473 1.00 0.00 O ATOM 148 CB ILE A 11 2.344 5.255 3.544 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.974 3.875 4.095 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.586 5.126 2.657 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.234 3.077 3.020 1.00 0.00 C ATOM 0 H ILE A 11 0.581 6.123 5.157 1.00 0.00 H new ATOM 0 HA ILE A 11 3.493 5.843 5.269 1.00 0.00 H new ATOM 0 HB ILE A 11 1.518 5.651 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.873 3.342 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.347 3.981 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.374 4.447 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.854 6.106 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.415 4.734 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.971 2.095 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.326 3.608 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.877 2.959 2.148 1.00 0.00 H new ATOM 163 N PRO A 12 4.125 8.176 4.418 1.00 0.00 N ATOM 164 CA PRO A 12 4.473 9.518 3.915 1.00 0.00 C ATOM 165 C PRO A 12 4.953 9.496 2.465 1.00 0.00 C ATOM 166 O PRO A 12 5.570 8.532 2.014 1.00 0.00 O ATOM 167 CB PRO A 12 5.599 9.938 4.851 1.00 0.00 C ATOM 168 CG PRO A 12 6.217 8.663 5.409 1.00 0.00 C ATOM 169 CD PRO A 12 5.193 7.537 5.223 1.00 0.00 C ATOM 0 HA PRO A 12 3.619 10.195 3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.345 10.526 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.217 10.565 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.145 8.427 4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.465 8.786 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.627 6.680 4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.814 7.176 6.179 1.00 0.00 H new ATOM 177 N ILE A 13 4.658 10.573 1.742 1.00 0.00 N ATOM 178 CA ILE A 13 5.060 10.675 0.341 1.00 0.00 C ATOM 179 C ILE A 13 6.585 10.618 0.218 1.00 0.00 C ATOM 180 O ILE A 13 7.313 10.954 1.152 1.00 0.00 O ATOM 181 CB ILE A 13 4.530 11.982 -0.270 1.00 0.00 C ATOM 182 CG1 ILE A 13 4.863 12.015 -1.766 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.163 13.190 0.432 1.00 0.00 C ATOM 184 CD1 ILE A 13 4.261 13.269 -2.406 1.00 0.00 C ATOM 0 H ILE A 13 4.147 11.381 2.098 1.00 0.00 H new ATOM 0 HA ILE A 13 4.634 9.833 -0.204 1.00 0.00 H new ATOM 0 HB ILE A 13 3.449 12.028 -0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.944 12.007 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.471 11.123 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.780 14.110 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.914 13.166 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.246 13.154 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.501 13.286 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.178 13.258 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.674 14.156 -1.926 1.00 0.00 H new ATOM 196 N ASN A 14 7.057 10.187 -0.950 1.00 0.00 N ATOM 197 CA ASN A 14 8.495 10.085 -1.195 1.00 0.00 C ATOM 198 C ASN A 14 9.137 9.110 -0.212 1.00 0.00 C ATOM 199 O ASN A 14 10.277 9.295 0.214 1.00 0.00 O ATOM 200 CB ASN A 14 9.162 11.455 -1.050 1.00 0.00 C ATOM 201 CG ASN A 14 8.501 12.446 -2.002 1.00 0.00 C ATOM 202 OD1 ASN A 14 8.190 12.107 -3.144 1.00 0.00 O ATOM 203 ND2 ASN A 14 8.266 13.664 -1.597 1.00 0.00 N ATOM 0 H ASN A 14 6.471 9.905 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 14 8.637 9.719 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.074 11.807 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.227 11.378 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.825 14.335 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.523 13.945 -0.651 1.00 0.00 H new ATOM 210 N THR A 15 8.389 8.070 0.144 1.00 0.00 N ATOM 211 CA THR A 15 8.893 7.067 1.078 1.00 0.00 C ATOM 212 C THR A 15 8.752 5.669 0.486 1.00 0.00 C ATOM 213 O THR A 15 7.898 5.422 -0.367 1.00 0.00 O ATOM 214 CB THR A 15 8.121 7.130 2.399 1.00 0.00 C ATOM 215 OG1 THR A 15 7.969 8.486 2.792 1.00 0.00 O ATOM 216 CG2 THR A 15 8.888 6.364 3.477 1.00 0.00 C ATOM 0 H THR A 15 7.442 7.900 -0.195 1.00 0.00 H new ATOM 0 HA THR A 15 9.946 7.278 1.263 1.00 0.00 H new ATOM 0 HB THR A 15 7.138 6.678 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.248 8.898 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.338 6.409 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.001 5.323 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.873 6.812 3.611 1.00 0.00 H new ATOM 224 N ALA A 16 9.601 4.755 0.948 1.00 0.00 N ATOM 225 CA ALA A 16 9.566 3.379 0.458 1.00 0.00 C ATOM 226 C ALA A 16 8.499 2.579 1.198 1.00 0.00 C ATOM 227 O ALA A 16 8.312 2.732 2.405 1.00 0.00 O ATOM 228 CB ALA A 16 10.924 2.704 0.657 1.00 0.00 C ATOM 0 H ALA A 16 10.315 4.938 1.653 1.00 0.00 H new ATOM 0 HA ALA A 16 9.329 3.406 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.879 1.680 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.688 3.255 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.174 2.695 1.718 1.00 0.00 H new ATOM 234 N LEU A 17 7.801 1.722 0.457 1.00 0.00 N ATOM 235 CA LEU A 17 6.750 0.897 1.051 1.00 0.00 C ATOM 236 C LEU A 17 7.351 -0.340 1.709 1.00 0.00 C ATOM 237 O LEU A 17 8.520 -0.667 1.502 1.00 0.00 O ATOM 238 CB LEU A 17 5.749 0.456 -0.018 1.00 0.00 C ATOM 239 CG LEU A 17 4.942 1.665 -0.493 1.00 0.00 C ATOM 240 CD1 LEU A 17 4.271 1.340 -1.829 1.00 0.00 C ATOM 241 CD2 LEU A 17 3.871 2.002 0.546 1.00 0.00 C ATOM 0 H LEU A 17 7.941 1.581 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 17 6.237 1.496 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.275 0.004 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.081 -0.304 0.386 1.00 0.00 H new ATOM 0 HG LEU A 17 5.608 2.518 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.696 2.202 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.033 1.099 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.605 0.486 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.295 2.864 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.206 1.148 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.348 2.235 1.498 1.00 0.00 H new ATOM 253 N THR A 18 6.537 -1.025 2.506 1.00 0.00 N ATOM 254 CA THR A 18 6.994 -2.229 3.195 1.00 0.00 C ATOM 255 C THR A 18 5.870 -3.258 3.272 1.00 0.00 C ATOM 256 O THR A 18 4.797 -3.070 2.699 1.00 0.00 O ATOM 257 CB THR A 18 7.457 -1.892 4.614 1.00 0.00 C ATOM 258 OG1 THR A 18 6.346 -1.454 5.382 1.00 0.00 O ATOM 259 CG2 THR A 18 8.511 -0.785 4.559 1.00 0.00 C ATOM 0 H THR A 18 5.566 -0.771 2.690 1.00 0.00 H new ATOM 0 HA THR A 18 7.829 -2.643 2.629 1.00 0.00 H new ATOM 0 HB THR A 18 7.890 -2.780 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.326 -0.474 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.840 -0.546 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.364 -1.123 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.081 0.104 4.097 1.00 0.00 H new ATOM 267 N LEU A 19 6.131 -4.348 3.987 1.00 0.00 N ATOM 268 CA LEU A 19 5.136 -5.407 4.136 1.00 0.00 C ATOM 269 C LEU A 19 4.051 -4.984 5.122 1.00 0.00 C ATOM 270 O LEU A 19 2.892 -5.377 4.997 1.00 0.00 O ATOM 271 CB LEU A 19 5.795 -6.697 4.643 1.00 0.00 C ATOM 272 CG LEU A 19 6.489 -7.440 3.490 1.00 0.00 C ATOM 273 CD1 LEU A 19 5.459 -7.833 2.428 1.00 0.00 C ATOM 274 CD2 LEU A 19 7.558 -6.540 2.856 1.00 0.00 C ATOM 0 H LEU A 19 7.013 -4.521 4.468 1.00 0.00 H new ATOM 0 HA LEU A 19 4.689 -5.588 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.522 -6.459 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.043 -7.342 5.097 1.00 0.00 H new ATOM 0 HG LEU A 19 6.962 -8.339 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.958 -8.359 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.707 -8.484 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.977 -6.936 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.045 -7.073 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.089 -5.635 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.300 -6.271 3.608 1.00 0.00 H new ATOM 286 N VAL A 20 4.442 -4.180 6.107 1.00 0.00 N ATOM 287 CA VAL A 20 3.494 -3.708 7.114 1.00 0.00 C ATOM 288 C VAL A 20 2.550 -2.672 6.510 1.00 0.00 C ATOM 289 O VAL A 20 1.340 -2.707 6.736 1.00 0.00 O ATOM 290 CB VAL A 20 4.235 -3.083 8.298 1.00 0.00 C ATOM 291 CG1 VAL A 20 3.241 -2.768 9.418 1.00 0.00 C ATOM 292 CG2 VAL A 20 5.289 -4.064 8.817 1.00 0.00 C ATOM 0 H VAL A 20 5.397 -3.844 6.230 1.00 0.00 H new ATOM 0 HA VAL A 20 2.917 -4.565 7.463 1.00 0.00 H new ATOM 0 HB VAL A 20 4.721 -2.163 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.771 -2.323 10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.490 -2.069 9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.754 -3.688 9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.817 -3.619 9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.802 -4.985 9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.000 -4.289 8.022 1.00 0.00 H new ATOM 302 N MET A 21 3.118 -1.749 5.740 1.00 0.00 N ATOM 303 CA MET A 21 2.321 -0.703 5.105 1.00 0.00 C ATOM 304 C MET A 21 1.356 -1.303 4.085 1.00 0.00 C ATOM 305 O MET A 21 0.281 -0.759 3.834 1.00 0.00 O ATOM 306 CB MET A 21 3.229 0.307 4.405 1.00 0.00 C ATOM 307 CG MET A 21 4.186 0.916 5.431 1.00 0.00 C ATOM 308 SD MET A 21 5.759 1.322 4.631 1.00 0.00 S ATOM 309 CE MET A 21 5.337 3.014 4.148 1.00 0.00 C ATOM 0 H MET A 21 4.117 -1.703 5.541 1.00 0.00 H new ATOM 0 HA MET A 21 1.749 -0.198 5.883 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.792 -0.182 3.610 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.631 1.090 3.938 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.746 1.813 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.353 0.215 6.248 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.228 3.518 3.773 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.577 2.991 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.951 3.554 5.013 1.00 0.00 H new ATOM 319 N MET A 22 1.748 -2.432 3.500 1.00 0.00 N ATOM 320 CA MET A 22 0.905 -3.097 2.510 1.00 0.00 C ATOM 321 C MET A 22 0.144 -4.253 3.152 1.00 0.00 C ATOM 322 O MET A 22 0.626 -4.884 4.093 1.00 0.00 O ATOM 323 CB MET A 22 1.753 -3.637 1.358 1.00 0.00 C ATOM 324 CG MET A 22 2.460 -2.476 0.655 1.00 0.00 C ATOM 325 SD MET A 22 2.889 -2.965 -1.033 1.00 0.00 S ATOM 326 CE MET A 22 3.879 -4.418 -0.605 1.00 0.00 C ATOM 0 H MET A 22 2.633 -2.901 3.691 1.00 0.00 H new ATOM 0 HA MET A 22 0.197 -2.364 2.124 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.487 -4.348 1.736 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.123 -4.175 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.813 -1.599 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.359 -2.198 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.780 -4.438 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.158 -4.371 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.297 -5.321 -0.786 1.00 0.00 H new ATOM 336 N ARG A 23 -1.050 -4.523 2.633 1.00 0.00 N ATOM 337 CA ARG A 23 -1.871 -5.607 3.166 1.00 0.00 C ATOM 338 C ARG A 23 -2.919 -6.036 2.143 1.00 0.00 C ATOM 339 O ARG A 23 -3.001 -5.482 1.047 1.00 0.00 O ATOM 340 CB ARG A 23 -2.581 -5.163 4.447 1.00 0.00 C ATOM 341 CG ARG A 23 -3.350 -3.867 4.183 1.00 0.00 C ATOM 342 CD ARG A 23 -4.655 -3.873 4.983 1.00 0.00 C ATOM 343 NE ARG A 23 -4.394 -4.146 6.394 1.00 0.00 N ATOM 344 CZ ARG A 23 -4.915 -5.213 6.993 1.00 0.00 C ATOM 345 NH1 ARG A 23 -6.132 -5.589 6.713 1.00 0.00 N ATOM 346 NH2 ARG A 23 -4.208 -5.884 7.861 1.00 0.00 N ATOM 0 H ARG A 23 -1.467 -4.014 1.854 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.213 -6.447 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.265 -5.942 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.853 -5.010 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.742 -3.007 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.564 -3.770 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.155 -2.910 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.331 -4.627 4.580 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.803 -3.509 6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.684 -5.065 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.531 -6.407 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.256 -5.590 8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.607 -6.702 8.321 1.00 0.00 H new ATOM 360 N SER A 24 -3.719 -7.031 2.517 1.00 0.00 N ATOM 361 CA SER A 24 -4.763 -7.532 1.628 1.00 0.00 C ATOM 362 C SER A 24 -6.143 -7.190 2.183 1.00 0.00 C ATOM 363 O SER A 24 -6.403 -7.344 3.376 1.00 0.00 O ATOM 364 CB SER A 24 -4.652 -9.048 1.471 1.00 0.00 C ATOM 365 OG SER A 24 -4.123 -9.606 2.666 1.00 0.00 O ATOM 0 H SER A 24 -3.666 -7.502 3.420 1.00 0.00 H new ATOM 0 HA SER A 24 -4.633 -7.057 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.632 -9.476 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.008 -9.292 0.626 1.00 0.00 H new ATOM 0 HG SER A 24 -4.052 -10.579 2.569 1.00 0.00 H new ATOM 371 N GLU A 25 -7.024 -6.724 1.302 1.00 0.00 N ATOM 372 CA GLU A 25 -8.378 -6.361 1.711 1.00 0.00 C ATOM 373 C GLU A 25 -9.194 -5.905 0.506 1.00 0.00 C ATOM 374 O GLU A 25 -8.685 -5.230 -0.388 1.00 0.00 O ATOM 375 CB GLU A 25 -8.342 -5.232 2.744 1.00 0.00 C ATOM 376 CG GLU A 25 -9.554 -5.349 3.670 1.00 0.00 C ATOM 377 CD GLU A 25 -10.743 -4.627 3.047 1.00 0.00 C ATOM 378 OE1 GLU A 25 -10.703 -3.409 2.978 1.00 0.00 O ATOM 379 OE2 GLU A 25 -11.678 -5.301 2.649 1.00 0.00 O ATOM 0 H GLU A 25 -6.828 -6.590 0.310 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.843 -7.242 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.421 -5.285 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.347 -4.265 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.798 -6.398 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.323 -4.918 4.644 1.00 0.00 H new ATOM 386 N VAL A 26 -10.470 -6.282 0.493 1.00 0.00 N ATOM 387 CA VAL A 26 -11.355 -5.906 -0.607 1.00 0.00 C ATOM 388 C VAL A 26 -11.836 -4.470 -0.430 1.00 0.00 C ATOM 389 O VAL A 26 -12.447 -4.123 0.581 1.00 0.00 O ATOM 390 CB VAL A 26 -12.569 -6.837 -0.664 1.00 0.00 C ATOM 391 CG1 VAL A 26 -13.373 -6.553 -1.934 1.00 0.00 C ATOM 392 CG2 VAL A 26 -12.097 -8.294 -0.679 1.00 0.00 C ATOM 0 H VAL A 26 -10.911 -6.841 1.223 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.793 -5.991 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.196 -6.665 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.237 -7.216 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.711 -5.517 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.745 -6.723 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.962 -8.956 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.469 -8.464 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.524 -8.500 0.225 1.00 0.00 H new ATOM 402 N VAL A 27 -11.552 -3.636 -1.428 1.00 0.00 N ATOM 403 CA VAL A 27 -11.958 -2.234 -1.375 1.00 0.00 C ATOM 404 C VAL A 27 -12.338 -1.736 -2.766 1.00 0.00 C ATOM 405 O VAL A 27 -12.066 -2.392 -3.772 1.00 0.00 O ATOM 406 CB VAL A 27 -10.820 -1.369 -0.831 1.00 0.00 C ATOM 407 CG1 VAL A 27 -10.548 -1.741 0.627 1.00 0.00 C ATOM 408 CG2 VAL A 27 -9.557 -1.607 -1.660 1.00 0.00 C ATOM 0 H VAL A 27 -11.048 -3.903 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.821 -2.158 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.103 -0.318 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.737 -1.124 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.447 -1.572 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.266 -2.792 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.746 -0.991 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.275 -2.658 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.749 -1.342 -2.700 1.00 0.00 H new ATOM 418 N THR A 28 -12.970 -0.567 -2.811 1.00 0.00 N ATOM 419 CA THR A 28 -13.383 0.016 -4.085 1.00 0.00 C ATOM 420 C THR A 28 -12.830 1.442 -4.223 1.00 0.00 C ATOM 421 O THR A 28 -12.832 2.201 -3.253 1.00 0.00 O ATOM 422 CB THR A 28 -14.911 0.064 -4.180 1.00 0.00 C ATOM 423 OG1 THR A 28 -15.288 0.765 -5.357 1.00 0.00 O ATOM 424 CG2 THR A 28 -15.478 0.781 -2.954 1.00 0.00 C ATOM 0 H THR A 28 -13.206 -0.009 -1.990 1.00 0.00 H new ATOM 0 HA THR A 28 -12.988 -0.608 -4.887 1.00 0.00 H new ATOM 0 HB THR A 28 -15.305 -0.951 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.265 0.795 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.565 0.815 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.188 0.243 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.086 1.797 -2.913 1.00 0.00 H new ATOM 432 N PRO A 29 -12.345 1.833 -5.417 1.00 0.00 N ATOM 433 CA PRO A 29 -12.311 0.971 -6.622 1.00 0.00 C ATOM 434 C PRO A 29 -11.146 -0.014 -6.602 1.00 0.00 C ATOM 435 O PRO A 29 -10.023 0.336 -6.238 1.00 0.00 O ATOM 436 CB PRO A 29 -12.148 1.987 -7.745 1.00 0.00 C ATOM 437 CG PRO A 29 -11.520 3.231 -7.131 1.00 0.00 C ATOM 438 CD PRO A 29 -11.789 3.184 -5.624 1.00 0.00 C ATOM 0 HA PRO A 29 -13.196 0.341 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.516 1.587 -8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.112 2.223 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.448 3.257 -7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.947 4.133 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.876 3.335 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.491 3.959 -5.317 1.00 0.00 H new ATOM 446 N VAL A 30 -11.429 -1.254 -6.994 1.00 0.00 N ATOM 447 CA VAL A 30 -10.407 -2.294 -7.015 1.00 0.00 C ATOM 448 C VAL A 30 -9.250 -1.903 -7.933 1.00 0.00 C ATOM 449 O VAL A 30 -9.370 -1.934 -9.157 1.00 0.00 O ATOM 450 CB VAL A 30 -11.009 -3.612 -7.499 1.00 0.00 C ATOM 451 CG1 VAL A 30 -12.065 -4.089 -6.499 1.00 0.00 C ATOM 452 CG2 VAL A 30 -11.662 -3.409 -8.871 1.00 0.00 C ATOM 0 H VAL A 30 -12.353 -1.561 -7.300 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.028 -2.413 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.220 -4.359 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.495 -5.029 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.601 -4.238 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.852 -3.340 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.090 -4.351 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.450 -2.660 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.911 -3.071 -9.585 1.00 0.00 H new ATOM 462 N GLY A 31 -8.126 -1.540 -7.321 1.00 0.00 N ATOM 463 CA GLY A 31 -6.946 -1.150 -8.087 1.00 0.00 C ATOM 464 C GLY A 31 -5.999 -2.334 -8.245 1.00 0.00 C ATOM 465 O GLY A 31 -6.316 -3.315 -8.919 1.00 0.00 O ATOM 0 H GLY A 31 -8.007 -1.508 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.247 -0.783 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.433 -0.330 -7.584 1.00 0.00 H new ATOM 469 N ILE A 32 -4.835 -2.236 -7.610 1.00 0.00 N ATOM 470 CA ILE A 32 -3.849 -3.311 -7.680 1.00 0.00 C ATOM 471 C ILE A 32 -4.345 -4.522 -6.876 1.00 0.00 C ATOM 472 O ILE A 32 -4.911 -4.354 -5.796 1.00 0.00 O ATOM 473 CB ILE A 32 -2.507 -2.838 -7.110 1.00 0.00 C ATOM 474 CG1 ILE A 32 -2.066 -1.566 -7.842 1.00 0.00 C ATOM 475 CG2 ILE A 32 -1.449 -3.927 -7.304 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.851 -0.957 -7.135 1.00 0.00 C ATOM 0 H ILE A 32 -4.553 -1.434 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.713 -3.594 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.620 -2.631 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.817 -1.799 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.884 -0.846 -7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.497 -3.586 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.761 -4.834 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.335 -4.138 -8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.541 -0.053 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.115 -0.708 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.032 -1.676 -7.136 1.00 0.00 H new ATOM 488 N PRO A 33 -4.151 -5.754 -7.380 1.00 0.00 N ATOM 489 CA PRO A 33 -4.605 -6.960 -6.664 1.00 0.00 C ATOM 490 C PRO A 33 -3.647 -7.382 -5.553 1.00 0.00 C ATOM 491 O PRO A 33 -2.558 -6.827 -5.406 1.00 0.00 O ATOM 492 CB PRO A 33 -4.646 -8.005 -7.773 1.00 0.00 C ATOM 493 CG PRO A 33 -3.689 -7.537 -8.863 1.00 0.00 C ATOM 494 CD PRO A 33 -3.477 -6.033 -8.672 1.00 0.00 C ATOM 0 HA PRO A 33 -5.557 -6.809 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.349 -8.982 -7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.657 -8.110 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.740 -8.070 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.101 -7.744 -9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.418 -5.777 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.916 -5.458 -9.487 1.00 0.00 H new ATOM 502 N ALA A 34 -4.070 -8.371 -4.770 1.00 0.00 N ATOM 503 CA ALA A 34 -3.246 -8.866 -3.669 1.00 0.00 C ATOM 504 C ALA A 34 -2.151 -9.821 -4.162 1.00 0.00 C ATOM 505 O ALA A 34 -1.364 -10.331 -3.366 1.00 0.00 O ATOM 506 CB ALA A 34 -4.116 -9.600 -2.647 1.00 0.00 C ATOM 0 H ALA A 34 -4.969 -8.842 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.771 -8.000 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.491 -9.964 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.867 -8.917 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.611 -10.443 -3.129 1.00 0.00 H new ATOM 512 N GLU A 35 -2.100 -10.065 -5.476 1.00 0.00 N ATOM 513 CA GLU A 35 -1.088 -10.963 -6.031 1.00 0.00 C ATOM 514 C GLU A 35 0.177 -10.200 -6.437 1.00 0.00 C ATOM 515 O GLU A 35 0.976 -10.694 -7.233 1.00 0.00 O ATOM 516 CB GLU A 35 -1.641 -11.690 -7.258 1.00 0.00 C ATOM 517 CG GLU A 35 -2.810 -12.584 -6.840 1.00 0.00 C ATOM 518 CD GLU A 35 -3.776 -12.739 -8.008 1.00 0.00 C ATOM 519 OE1 GLU A 35 -4.602 -11.859 -8.190 1.00 0.00 O ATOM 520 OE2 GLU A 35 -3.677 -13.736 -8.705 1.00 0.00 O ATOM 0 H GLU A 35 -2.737 -9.660 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.830 -11.683 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.971 -10.967 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.858 -12.290 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.441 -13.561 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.325 -12.150 -5.983 1.00 0.00 H new ATOM 527 N ASP A 36 0.361 -8.998 -5.890 1.00 0.00 N ATOM 528 CA ASP A 36 1.540 -8.201 -6.218 1.00 0.00 C ATOM 529 C ASP A 36 2.080 -7.498 -4.976 1.00 0.00 C ATOM 530 O ASP A 36 2.669 -6.420 -5.063 1.00 0.00 O ATOM 531 CB ASP A 36 1.200 -7.151 -7.278 1.00 0.00 C ATOM 532 CG ASP A 36 0.845 -7.847 -8.588 1.00 0.00 C ATOM 533 OD1 ASP A 36 1.608 -8.700 -9.008 1.00 0.00 O ATOM 534 OD2 ASP A 36 -0.186 -7.516 -9.150 1.00 0.00 O ATOM 0 H ASP A 36 -0.281 -8.561 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 36 2.301 -8.878 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.364 -6.537 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.047 -6.482 -7.427 1.00 0.00 H new ATOM 539 N ILE A 37 1.880 -8.124 -3.819 1.00 0.00 N ATOM 540 CA ILE A 37 2.357 -7.555 -2.562 1.00 0.00 C ATOM 541 C ILE A 37 3.893 -7.612 -2.474 1.00 0.00 C ATOM 542 O ILE A 37 4.521 -6.613 -2.121 1.00 0.00 O ATOM 543 CB ILE A 37 1.739 -8.290 -1.367 1.00 0.00 C ATOM 544 CG1 ILE A 37 0.213 -8.258 -1.488 1.00 0.00 C ATOM 545 CG2 ILE A 37 2.153 -7.603 -0.062 1.00 0.00 C ATOM 546 CD1 ILE A 37 -0.383 -9.461 -0.755 1.00 0.00 C ATOM 0 H ILE A 37 1.396 -9.017 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 37 2.048 -6.510 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 37 2.091 -9.322 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.176 -7.332 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.080 -8.277 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.710 -8.130 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.239 -7.619 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.804 -6.570 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.469 -9.438 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.003 -10.382 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.102 -9.422 0.297 1.00 0.00 H new ATOM 558 N PRO A 38 4.533 -8.757 -2.792 1.00 0.00 N ATOM 559 CA PRO A 38 6.007 -8.851 -2.726 1.00 0.00 C ATOM 560 C PRO A 38 6.710 -8.171 -3.905 1.00 0.00 C ATOM 561 O PRO A 38 7.937 -8.095 -3.946 1.00 0.00 O ATOM 562 CB PRO A 38 6.245 -10.356 -2.751 1.00 0.00 C ATOM 563 CG PRO A 38 5.025 -10.986 -3.408 1.00 0.00 C ATOM 564 CD PRO A 38 3.862 -10.006 -3.232 1.00 0.00 C ATOM 0 HA PRO A 38 6.410 -8.344 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.150 -10.594 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.382 -10.742 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.212 -11.176 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.792 -11.946 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.313 -9.862 -4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.146 -10.361 -2.491 1.00 0.00 H new ATOM 572 N ARG A 39 5.924 -7.671 -4.862 1.00 0.00 N ATOM 573 CA ARG A 39 6.496 -6.999 -6.026 1.00 0.00 C ATOM 574 C ARG A 39 6.499 -5.483 -5.829 1.00 0.00 C ATOM 575 O ARG A 39 7.314 -4.772 -6.416 1.00 0.00 O ATOM 576 CB ARG A 39 5.691 -7.335 -7.284 1.00 0.00 C ATOM 577 CG ARG A 39 6.113 -8.707 -7.810 1.00 0.00 C ATOM 578 CD ARG A 39 5.164 -9.139 -8.929 1.00 0.00 C ATOM 579 NE ARG A 39 5.758 -10.213 -9.721 1.00 0.00 N ATOM 580 CZ ARG A 39 5.011 -10.962 -10.528 1.00 0.00 C ATOM 581 NH1 ARG A 39 4.022 -11.659 -10.041 1.00 0.00 N ATOM 582 NH2 ARG A 39 5.270 -11.001 -11.806 1.00 0.00 N ATOM 0 H ARG A 39 4.905 -7.718 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 39 7.522 -7.349 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.625 -7.333 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.856 -6.575 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.137 -8.666 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.097 -9.439 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.219 -9.475 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.939 -8.288 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 39 6.760 -10.391 -9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.821 -11.630 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.449 -12.233 -10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.045 -10.457 -12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.698 -11.575 -12.425 1.00 0.00 H new ATOM 596 N LEU A 40 5.577 -4.995 -4.999 1.00 0.00 N ATOM 597 CA LEU A 40 5.483 -3.560 -4.739 1.00 0.00 C ATOM 598 C LEU A 40 6.207 -3.195 -3.443 1.00 0.00 C ATOM 599 O LEU A 40 5.780 -2.304 -2.707 1.00 0.00 O ATOM 600 CB LEU A 40 4.016 -3.137 -4.626 1.00 0.00 C ATOM 601 CG LEU A 40 3.407 -3.023 -6.025 1.00 0.00 C ATOM 602 CD1 LEU A 40 1.941 -3.458 -5.981 1.00 0.00 C ATOM 603 CD2 LEU A 40 3.492 -1.571 -6.502 1.00 0.00 C ATOM 0 H LEU A 40 4.893 -5.565 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 40 5.954 -3.037 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.461 -3.866 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.941 -2.182 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 40 3.957 -3.665 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.507 -3.377 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.878 -4.492 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.391 -2.816 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.058 -1.489 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.943 -0.929 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.536 -1.259 -6.534 1.00 0.00 H new ATOM 615 N VAL A 41 7.310 -3.888 -3.173 1.00 0.00 N ATOM 616 CA VAL A 41 8.086 -3.623 -1.964 1.00 0.00 C ATOM 617 C VAL A 41 9.148 -2.563 -2.239 1.00 0.00 C ATOM 618 O VAL A 41 9.750 -2.530 -3.312 1.00 0.00 O ATOM 619 CB VAL A 41 8.768 -4.902 -1.469 1.00 0.00 C ATOM 620 CG1 VAL A 41 9.414 -4.643 -0.106 1.00 0.00 C ATOM 621 CG2 VAL A 41 7.728 -6.015 -1.334 1.00 0.00 C ATOM 0 H VAL A 41 7.684 -4.629 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 41 7.402 -3.262 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 41 9.534 -5.203 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.899 -5.554 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.156 -3.850 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.648 -4.341 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.213 -6.925 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.962 -5.712 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.267 -6.202 -2.304 1.00 0.00 H new ATOM 631 N SER A 42 9.371 -1.696 -1.254 1.00 0.00 N ATOM 632 CA SER A 42 10.366 -0.633 -1.393 1.00 0.00 C ATOM 633 C SER A 42 10.007 0.286 -2.557 1.00 0.00 C ATOM 634 O SER A 42 10.881 0.830 -3.232 1.00 0.00 O ATOM 635 CB SER A 42 11.756 -1.224 -1.634 1.00 0.00 C ATOM 636 OG SER A 42 11.937 -2.355 -0.793 1.00 0.00 O ATOM 0 H SER A 42 8.882 -1.707 -0.359 1.00 0.00 H new ATOM 0 HA SER A 42 10.374 -0.059 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.865 -1.513 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.522 -0.477 -1.428 1.00 0.00 H new ATOM 0 HG SER A 42 12.826 -2.737 -0.946 1.00 0.00 H new ATOM 642 N MET A 43 8.706 0.453 -2.785 1.00 0.00 N ATOM 643 CA MET A 43 8.237 1.308 -3.871 1.00 0.00 C ATOM 644 C MET A 43 7.951 2.714 -3.354 1.00 0.00 C ATOM 645 O MET A 43 7.359 2.893 -2.290 1.00 0.00 O ATOM 646 CB MET A 43 6.961 0.736 -4.490 1.00 0.00 C ATOM 647 CG MET A 43 7.276 -0.599 -5.168 1.00 0.00 C ATOM 648 SD MET A 43 8.321 -0.307 -6.618 1.00 0.00 S ATOM 649 CE MET A 43 7.001 -0.324 -7.855 1.00 0.00 C ATOM 0 H MET A 43 7.966 0.013 -2.239 1.00 0.00 H new ATOM 0 HA MET A 43 9.020 1.350 -4.629 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.202 0.595 -3.720 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.551 1.437 -5.217 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.783 -1.264 -4.469 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.352 -1.095 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.964 -1.302 -8.334 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.046 -0.121 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.197 0.441 -8.606 1.00 0.00 H new ATOM 659 N GLN A 44 8.380 3.713 -4.122 1.00 0.00 N ATOM 660 CA GLN A 44 8.167 5.104 -3.735 1.00 0.00 C ATOM 661 C GLN A 44 6.978 5.691 -4.489 1.00 0.00 C ATOM 662 O GLN A 44 6.976 5.762 -5.718 1.00 0.00 O ATOM 663 CB GLN A 44 9.411 5.942 -4.040 1.00 0.00 C ATOM 664 CG GLN A 44 10.411 5.810 -2.889 1.00 0.00 C ATOM 665 CD GLN A 44 11.398 6.971 -2.937 1.00 0.00 C ATOM 666 OE1 GLN A 44 11.003 8.134 -2.868 1.00 0.00 O ATOM 667 NE2 GLN A 44 12.674 6.721 -3.054 1.00 0.00 N ATOM 0 H GLN A 44 8.872 3.587 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 44 7.967 5.127 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.867 5.609 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.134 6.987 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.885 5.806 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.944 4.862 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.002 5.757 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.343 7.490 -3.088 1.00 0.00 H new ATOM 676 N VAL A 45 5.965 6.111 -3.736 1.00 0.00 N ATOM 677 CA VAL A 45 4.769 6.693 -4.340 1.00 0.00 C ATOM 678 C VAL A 45 5.017 8.150 -4.714 1.00 0.00 C ATOM 679 O VAL A 45 6.000 8.757 -4.289 1.00 0.00 O ATOM 680 CB VAL A 45 3.588 6.621 -3.369 1.00 0.00 C ATOM 681 CG1 VAL A 45 3.216 5.158 -3.125 1.00 0.00 C ATOM 682 CG2 VAL A 45 3.980 7.274 -2.042 1.00 0.00 C ATOM 0 H VAL A 45 5.947 6.061 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 45 4.534 6.122 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 45 2.734 7.147 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.375 5.107 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.938 4.691 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.070 4.632 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.140 7.223 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.834 6.747 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.246 8.317 -2.214 1.00 0.00 H new ATOM 692 N ASN A 46 4.112 8.707 -5.515 1.00 0.00 N ATOM 693 CA ASN A 46 4.239 10.098 -5.942 1.00 0.00 C ATOM 694 C ASN A 46 3.161 10.958 -5.290 1.00 0.00 C ATOM 695 O ASN A 46 2.690 11.935 -5.872 1.00 0.00 O ATOM 696 CB ASN A 46 4.110 10.206 -7.463 1.00 0.00 C ATOM 697 CG ASN A 46 2.822 9.525 -7.916 1.00 0.00 C ATOM 698 OD1 ASN A 46 1.782 9.656 -7.271 1.00 0.00 O ATOM 699 ND2 ASN A 46 2.830 8.799 -9.001 1.00 0.00 N ATOM 0 H ASN A 46 3.291 8.223 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 46 5.222 10.454 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.105 11.253 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.969 9.740 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.974 8.340 -9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.692 8.690 -9.536 1.00 0.00 H new ATOM 706 N ARG A 47 2.776 10.584 -4.072 1.00 0.00 N ATOM 707 CA ARG A 47 1.750 11.328 -3.345 1.00 0.00 C ATOM 708 C ARG A 47 1.527 10.715 -1.965 1.00 0.00 C ATOM 709 O ARG A 47 1.863 9.556 -1.722 1.00 0.00 O ATOM 710 CB ARG A 47 0.428 11.318 -4.116 1.00 0.00 C ATOM 711 CG ARG A 47 0.016 9.874 -4.413 1.00 0.00 C ATOM 712 CD ARG A 47 -0.837 9.838 -5.682 1.00 0.00 C ATOM 713 NE ARG A 47 -2.153 10.421 -5.436 1.00 0.00 N ATOM 714 CZ ARG A 47 -3.087 10.428 -6.383 1.00 0.00 C ATOM 715 NH1 ARG A 47 -2.775 10.762 -7.605 1.00 0.00 N ATOM 716 NH2 ARG A 47 -4.317 10.103 -6.088 1.00 0.00 N ATOM 0 H ARG A 47 3.154 9.779 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 47 2.095 12.356 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.348 11.815 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.534 11.875 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.901 9.251 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.545 9.465 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.335 10.385 -6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.948 8.809 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.359 10.829 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.815 11.018 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.491 10.767 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.561 9.844 -5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.034 10.108 -6.814 1.00 0.00 H new ATOM 730 N ALA A 48 0.956 11.509 -1.065 1.00 0.00 N ATOM 731 CA ALA A 48 0.689 11.037 0.291 1.00 0.00 C ATOM 732 C ALA A 48 -0.344 9.915 0.272 1.00 0.00 C ATOM 733 O ALA A 48 -1.404 10.037 -0.341 1.00 0.00 O ATOM 734 CB ALA A 48 0.168 12.180 1.165 1.00 0.00 C ATOM 0 H ALA A 48 0.672 12.472 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 48 1.625 10.662 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.025 11.809 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.913 12.974 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.756 12.572 0.739 1.00 0.00 H new ATOM 740 N VAL A 49 -0.020 8.819 0.952 1.00 0.00 N ATOM 741 CA VAL A 49 -0.924 7.673 1.011 1.00 0.00 C ATOM 742 C VAL A 49 -1.252 7.328 2.469 1.00 0.00 C ATOM 743 O VAL A 49 -0.496 6.606 3.120 1.00 0.00 O ATOM 744 CB VAL A 49 -0.284 6.452 0.343 1.00 0.00 C ATOM 745 CG1 VAL A 49 -1.311 5.322 0.249 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.188 6.827 -1.064 1.00 0.00 C ATOM 0 H VAL A 49 0.853 8.700 1.466 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.840 7.937 0.483 1.00 0.00 H new ATOM 0 HB VAL A 49 0.568 6.121 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.854 4.454 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.648 5.052 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.164 5.654 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.643 5.958 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.664 7.160 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.921 7.631 -1.000 1.00 0.00 H new ATOM 756 N PRO A 50 -2.377 7.832 3.008 1.00 0.00 N ATOM 757 CA PRO A 50 -2.762 7.548 4.403 1.00 0.00 C ATOM 758 C PRO A 50 -3.419 6.179 4.564 1.00 0.00 C ATOM 759 O PRO A 50 -3.499 5.397 3.618 1.00 0.00 O ATOM 760 CB PRO A 50 -3.751 8.666 4.705 1.00 0.00 C ATOM 761 CG PRO A 50 -4.316 9.135 3.369 1.00 0.00 C ATOM 762 CD PRO A 50 -3.330 8.705 2.280 1.00 0.00 C ATOM 0 HA PRO A 50 -1.905 7.516 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.548 8.310 5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.258 9.487 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.298 8.697 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.444 10.217 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.830 8.170 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.828 9.562 1.831 1.00 0.00 H new ATOM 770 N LEU A 51 -3.886 5.900 5.778 1.00 0.00 N ATOM 771 CA LEU A 51 -4.534 4.622 6.062 1.00 0.00 C ATOM 772 C LEU A 51 -5.787 4.456 5.209 1.00 0.00 C ATOM 773 O LEU A 51 -6.477 5.427 4.896 1.00 0.00 O ATOM 774 CB LEU A 51 -4.921 4.530 7.541 1.00 0.00 C ATOM 775 CG LEU A 51 -3.704 4.859 8.420 1.00 0.00 C ATOM 776 CD1 LEU A 51 -3.837 6.281 8.976 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.627 3.865 9.583 1.00 0.00 C ATOM 0 H LEU A 51 -3.829 6.535 6.574 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.825 3.829 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.735 5.222 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.286 3.528 7.769 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.798 4.788 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.972 6.511 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.889 6.991 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.745 6.354 9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.763 4.099 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.535 3.934 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.527 2.853 9.191 1.00 0.00 H new ATOM 789 N GLY A 52 -6.073 3.211 4.836 1.00 0.00 N ATOM 790 CA GLY A 52 -7.247 2.920 4.016 1.00 0.00 C ATOM 791 C GLY A 52 -7.150 3.615 2.663 1.00 0.00 C ATOM 792 O GLY A 52 -7.866 4.579 2.390 1.00 0.00 O ATOM 0 H GLY A 52 -5.515 2.395 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.337 1.843 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.148 3.248 4.534 1.00 0.00 H new ATOM 796 N THR A 53 -6.255 3.113 1.819 1.00 0.00 N ATOM 797 CA THR A 53 -6.067 3.690 0.490 1.00 0.00 C ATOM 798 C THR A 53 -5.738 2.595 -0.519 1.00 0.00 C ATOM 799 O THR A 53 -4.690 1.954 -0.443 1.00 0.00 O ATOM 800 CB THR A 53 -4.929 4.713 0.506 1.00 0.00 C ATOM 801 OG1 THR A 53 -5.042 5.526 1.666 1.00 0.00 O ATOM 802 CG2 THR A 53 -5.012 5.590 -0.744 1.00 0.00 C ATOM 0 H THR A 53 -5.653 2.316 2.027 1.00 0.00 H new ATOM 0 HA THR A 53 -6.994 4.186 0.202 1.00 0.00 H new ATOM 0 HB THR A 53 -3.971 4.192 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.459 5.174 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.201 6.318 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.925 4.965 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.969 6.112 -0.759 1.00 0.00 H new ATOM 810 N THR A 54 -6.648 2.389 -1.468 1.00 0.00 N ATOM 811 CA THR A 54 -6.448 1.367 -2.493 1.00 0.00 C ATOM 812 C THR A 54 -5.208 1.679 -3.323 1.00 0.00 C ATOM 813 O THR A 54 -5.223 2.562 -4.181 1.00 0.00 O ATOM 814 CB THR A 54 -7.663 1.292 -3.420 1.00 0.00 C ATOM 815 OG1 THR A 54 -8.852 1.415 -2.652 1.00 0.00 O ATOM 816 CG2 THR A 54 -7.667 -0.050 -4.157 1.00 0.00 C ATOM 0 H THR A 54 -7.522 2.909 -1.549 1.00 0.00 H new ATOM 0 HA THR A 54 -6.316 0.409 -1.990 1.00 0.00 H new ATOM 0 HB THR A 54 -7.613 2.102 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.631 1.369 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.533 -0.100 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.756 -0.143 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.715 -0.863 -3.432 1.00 0.00 H new ATOM 824 N LEU A 55 -4.133 0.942 -3.057 1.00 0.00 N ATOM 825 CA LEU A 55 -2.881 1.143 -3.784 1.00 0.00 C ATOM 826 C LEU A 55 -3.083 0.886 -5.274 1.00 0.00 C ATOM 827 O LEU A 55 -3.340 -0.242 -5.695 1.00 0.00 O ATOM 828 CB LEU A 55 -1.800 0.198 -3.258 1.00 0.00 C ATOM 829 CG LEU A 55 -0.426 0.846 -3.433 1.00 0.00 C ATOM 830 CD1 LEU A 55 -0.200 1.871 -2.319 1.00 0.00 C ATOM 831 CD2 LEU A 55 0.657 -0.232 -3.363 1.00 0.00 C ATOM 0 H LEU A 55 -4.102 0.207 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.566 2.175 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.977 -0.025 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.838 -0.750 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.379 1.346 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.779 2.333 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.972 2.638 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.246 1.372 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.637 0.228 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.611 -0.732 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.496 -0.962 -4.156 1.00 0.00 H new ATOM 843 N MET A 56 -2.962 1.947 -6.066 1.00 0.00 N ATOM 844 CA MET A 56 -3.132 1.830 -7.512 1.00 0.00 C ATOM 845 C MET A 56 -1.770 1.691 -8.201 1.00 0.00 C ATOM 846 O MET A 56 -0.737 1.993 -7.604 1.00 0.00 O ATOM 847 CB MET A 56 -3.849 3.061 -8.068 1.00 0.00 C ATOM 848 CG MET A 56 -5.360 2.824 -8.051 1.00 0.00 C ATOM 849 SD MET A 56 -6.196 4.200 -8.878 1.00 0.00 S ATOM 850 CE MET A 56 -7.618 3.264 -9.492 1.00 0.00 C ATOM 0 H MET A 56 -2.749 2.889 -5.736 1.00 0.00 H new ATOM 0 HA MET A 56 -3.732 0.942 -7.710 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.601 3.939 -7.472 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.513 3.262 -9.085 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.597 1.886 -8.553 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.713 2.734 -7.024 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.281 3.930 -10.045 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.272 2.467 -10.151 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.159 2.830 -8.651 1.00 0.00 H new ATOM 860 N PRO A 57 -1.746 1.232 -9.464 1.00 0.00 N ATOM 861 CA PRO A 57 -0.484 1.064 -10.207 1.00 0.00 C ATOM 862 C PRO A 57 0.018 2.370 -10.819 1.00 0.00 C ATOM 863 O PRO A 57 1.216 2.549 -11.040 1.00 0.00 O ATOM 864 CB PRO A 57 -0.876 0.073 -11.295 1.00 0.00 C ATOM 865 CG PRO A 57 -2.384 0.191 -11.488 1.00 0.00 C ATOM 866 CD PRO A 57 -2.957 0.852 -10.230 1.00 0.00 C ATOM 0 HA PRO A 57 0.335 0.732 -9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.351 0.294 -12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.603 -0.942 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.612 0.786 -12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.829 -0.792 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.568 1.721 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.590 0.166 -9.668 1.00 0.00 H new ATOM 874 N ASP A 58 -0.913 3.282 -11.089 1.00 0.00 N ATOM 875 CA ASP A 58 -0.556 4.570 -11.677 1.00 0.00 C ATOM 876 C ASP A 58 0.084 5.476 -10.629 1.00 0.00 C ATOM 877 O ASP A 58 0.958 6.286 -10.938 1.00 0.00 O ATOM 878 CB ASP A 58 -1.796 5.263 -12.244 1.00 0.00 C ATOM 879 CG ASP A 58 -2.866 5.356 -11.161 1.00 0.00 C ATOM 880 OD1 ASP A 58 -2.726 6.198 -10.290 1.00 0.00 O ATOM 881 OD2 ASP A 58 -3.809 4.586 -11.220 1.00 0.00 O ATOM 0 H ASP A 58 -1.910 3.155 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 58 0.156 4.386 -12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.537 6.260 -12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.177 4.707 -13.100 1.00 0.00 H new ATOM 886 N MET A 59 -0.362 5.330 -9.385 1.00 0.00 N ATOM 887 CA MET A 59 0.171 6.141 -8.293 1.00 0.00 C ATOM 888 C MET A 59 1.593 5.707 -7.952 1.00 0.00 C ATOM 889 O MET A 59 2.447 6.532 -7.625 1.00 0.00 O ATOM 890 CB MET A 59 -0.703 6.003 -7.046 1.00 0.00 C ATOM 891 CG MET A 59 -2.123 6.476 -7.362 1.00 0.00 C ATOM 892 SD MET A 59 -2.936 7.012 -5.837 1.00 0.00 S ATOM 893 CE MET A 59 -3.025 5.387 -5.045 1.00 0.00 C ATOM 0 H MET A 59 -1.084 4.665 -9.108 1.00 0.00 H new ATOM 0 HA MET A 59 0.176 7.181 -8.619 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.720 4.965 -6.714 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.285 6.592 -6.229 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.093 7.297 -8.078 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.691 5.670 -7.825 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.178 5.513 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.856 4.822 -5.466 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.094 4.847 -5.218 1.00 0.00 H new ATOM 903 N VAL A 60 1.837 4.402 -8.032 1.00 0.00 N ATOM 904 CA VAL A 60 3.159 3.863 -7.728 1.00 0.00 C ATOM 905 C VAL A 60 4.095 4.049 -8.921 1.00 0.00 C ATOM 906 O VAL A 60 3.957 3.383 -9.946 1.00 0.00 O ATOM 907 CB VAL A 60 3.064 2.373 -7.389 1.00 0.00 C ATOM 908 CG1 VAL A 60 4.428 1.858 -6.921 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.037 2.172 -6.272 1.00 0.00 C ATOM 0 H VAL A 60 1.144 3.704 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 60 3.556 4.403 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 60 2.756 1.821 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.354 0.797 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.162 2.000 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.740 2.409 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.967 1.112 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.348 2.728 -5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.063 2.533 -6.604 1.00 0.00 H new ATOM 919 N LYS A 61 5.048 4.965 -8.772 1.00 0.00 N ATOM 920 CA LYS A 61 6.006 5.237 -9.841 1.00 0.00 C ATOM 921 C LYS A 61 6.914 4.031 -10.062 1.00 0.00 C ATOM 922 O LYS A 61 7.641 3.611 -9.161 1.00 0.00 O ATOM 923 CB LYS A 61 6.868 6.452 -9.493 1.00 0.00 C ATOM 924 CG LYS A 61 6.110 7.735 -9.843 1.00 0.00 C ATOM 925 CD LYS A 61 7.109 8.862 -10.108 1.00 0.00 C ATOM 926 CE LYS A 61 7.483 8.874 -11.591 1.00 0.00 C ATOM 927 NZ LYS A 61 6.397 9.529 -12.372 1.00 0.00 N ATOM 0 H LYS A 61 5.178 5.527 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 61 5.443 5.441 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.117 6.442 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.809 6.412 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.487 7.573 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.443 8.010 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.676 9.821 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.001 8.722 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.422 9.408 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.637 7.855 -11.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.341 9.099 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.490 9.402 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.601 10.545 -12.465 1.00 0.00 H new ATOM 941 N GLY A 62 6.863 3.481 -11.271 1.00 0.00 N ATOM 942 CA GLY A 62 7.685 2.322 -11.604 1.00 0.00 C ATOM 943 C GLY A 62 6.821 1.078 -11.778 1.00 0.00 C ATOM 944 O GLY A 62 7.133 0.192 -12.573 1.00 0.00 O ATOM 0 H GLY A 62 6.268 3.814 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.240 2.516 -12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.419 2.153 -10.817 1.00 0.00 H new ATOM 948 N TYR A 63 5.726 1.023 -11.024 1.00 0.00 N ATOM 949 CA TYR A 63 4.816 -0.116 -11.099 1.00 0.00 C ATOM 950 C TYR A 63 3.889 0.023 -12.303 1.00 0.00 C ATOM 951 O TYR A 63 2.930 0.792 -12.282 1.00 0.00 O ATOM 952 CB TYR A 63 3.972 -0.211 -9.825 1.00 0.00 C ATOM 953 CG TYR A 63 3.199 -1.507 -9.825 1.00 0.00 C ATOM 954 CD1 TYR A 63 3.779 -2.681 -9.273 1.00 0.00 C ATOM 955 CD2 TYR A 63 1.892 -1.552 -10.377 1.00 0.00 C ATOM 956 CE1 TYR A 63 3.049 -3.900 -9.273 1.00 0.00 C ATOM 957 CE2 TYR A 63 1.163 -2.770 -10.377 1.00 0.00 C ATOM 958 CZ TYR A 63 1.741 -3.945 -9.826 1.00 0.00 C ATOM 959 OH TYR A 63 1.032 -5.130 -9.826 1.00 0.00 O ATOM 0 H TYR A 63 5.449 1.746 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 63 5.415 -1.021 -11.205 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.615 -0.159 -8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.285 0.634 -9.768 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.774 -2.647 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.452 -0.659 -10.797 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.488 -4.792 -8.853 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.168 -2.803 -10.796 1.00 0.00 H new ATOM 0 HH TYR A 63 0.155 -4.987 -10.240 1.00 0.00 H new ATOM 969 N ALA A 64 4.191 -0.735 -13.355 1.00 0.00 N ATOM 970 CA ALA A 64 3.379 -0.692 -14.568 1.00 0.00 C ATOM 971 C ALA A 64 2.629 -2.007 -14.753 1.00 0.00 C ATOM 972 O ALA A 64 2.834 -2.966 -14.009 1.00 0.00 O ATOM 973 CB ALA A 64 4.261 -0.445 -15.794 1.00 0.00 C ATOM 0 H ALA A 64 4.982 -1.378 -13.393 1.00 0.00 H new ATOM 0 HA ALA A 64 2.663 0.124 -14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.640 -0.416 -16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.781 0.506 -15.682 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.991 -1.249 -15.885 1.00 0.00 H new ATOM 979 N ALA A 65 1.755 -2.040 -15.755 1.00 0.00 N ATOM 980 CA ALA A 65 0.975 -3.242 -16.034 1.00 0.00 C ATOM 981 C ALA A 65 1.767 -4.197 -16.923 1.00 0.00 C ATOM 982 O ALA A 65 1.882 -3.917 -18.104 1.00 0.00 O ATOM 983 CB ALA A 65 -0.336 -2.881 -16.736 1.00 0.00 C ATOM 0 H ALA A 65 1.570 -1.257 -16.382 1.00 0.00 H new ATOM 0 HA ALA A 65 0.755 -3.727 -15.083 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.904 -3.790 -16.936 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.921 -2.221 -16.096 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.118 -2.375 -17.677 1.00 0.00 H new TER 989 ALA A 65