USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 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 79 GLN : amide:sc= -1.9 K(o=-1.8,f=-2.7!) USER MOD Set 1.2: A 81 CYS SG : rot 180:sc= 0.129 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc= -1.02 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.15) USER MOD Single : A 22 SER OG : rot 180:sc= -3.31! USER MOD Single : A 28 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.8!) USER MOD Single : A 29 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 37 THR OG1 : rot 37:sc= 0.0319 USER MOD Single : A 40 SER OG : rot 140:sc= -0.765 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0891 X(o=-0.089,f=-0.16) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.839 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.568 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -137:sc= -4.38! (180deg=-4.61!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.02 K(o=-2,f=-4.9!) USER MOD Single : A 70 GLN : amide:sc= -1.99 K(o=-2,f=-3.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.536) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0255 K(o=-0.026,f=-1.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.2 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00285 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.594 3.188 -5.739 1.00 0.00 N ATOM 2 CA GLY A 1 -23.824 4.418 -5.731 1.00 0.00 C ATOM 3 C GLY A 1 -24.225 5.346 -4.602 1.00 0.00 C ATOM 4 O GLY A 1 -24.699 6.457 -4.840 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.282 2.588 -6.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.449 2.682 -4.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.604 3.411 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.764 4.179 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.956 4.932 -6.683 1.00 0.00 H new ATOM 8 N SER A 2 -24.037 4.889 -3.368 1.00 0.00 N ATOM 9 CA SER A 2 -24.387 5.684 -2.196 1.00 0.00 C ATOM 10 C SER A 2 -23.656 7.023 -2.210 1.00 0.00 C ATOM 11 O SER A 2 -22.796 7.264 -3.056 1.00 0.00 O ATOM 12 CB SER A 2 -24.050 4.919 -0.915 1.00 0.00 C ATOM 13 OG SER A 2 -22.652 4.724 -0.790 1.00 0.00 O ATOM 0 H SER A 2 -23.644 3.972 -3.154 1.00 0.00 H new ATOM 0 HA SER A 2 -25.460 5.875 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.422 5.469 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.556 3.954 -0.921 1.00 0.00 H new ATOM 0 HG SER A 2 -22.463 4.234 0.038 1.00 0.00 H new ATOM 19 N SER A 3 -24.005 7.890 -1.265 1.00 0.00 N ATOM 20 CA SER A 3 -23.386 9.207 -1.169 1.00 0.00 C ATOM 21 C SER A 3 -21.866 9.099 -1.250 1.00 0.00 C ATOM 22 O SER A 3 -21.233 9.721 -2.102 1.00 0.00 O ATOM 23 CB SER A 3 -23.791 9.891 0.138 1.00 0.00 C ATOM 24 OG SER A 3 -25.192 10.101 0.190 1.00 0.00 O ATOM 0 H SER A 3 -24.713 7.704 -0.555 1.00 0.00 H new ATOM 0 HA SER A 3 -23.736 9.808 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.480 9.279 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.273 10.846 0.228 1.00 0.00 H new ATOM 0 HG SER A 3 -25.426 10.538 1.035 1.00 0.00 H new ATOM 30 N GLY A 4 -21.287 8.305 -0.355 1.00 0.00 N ATOM 31 CA GLY A 4 -19.846 8.129 -0.341 1.00 0.00 C ATOM 32 C GLY A 4 -19.362 7.219 -1.452 1.00 0.00 C ATOM 33 O GLY A 4 -20.056 6.279 -1.840 1.00 0.00 O ATOM 0 H GLY A 4 -21.790 7.780 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.363 9.102 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.543 7.716 0.621 1.00 0.00 H new ATOM 37 N SER A 5 -18.169 7.498 -1.966 1.00 0.00 N ATOM 38 CA SER A 5 -17.595 6.699 -3.043 1.00 0.00 C ATOM 39 C SER A 5 -16.553 5.725 -2.501 1.00 0.00 C ATOM 40 O SER A 5 -15.350 5.963 -2.608 1.00 0.00 O ATOM 41 CB SER A 5 -16.960 7.608 -4.097 1.00 0.00 C ATOM 42 OG SER A 5 -16.911 6.968 -5.360 1.00 0.00 O ATOM 0 H SER A 5 -17.581 8.271 -1.655 1.00 0.00 H new ATOM 0 HA SER A 5 -18.398 6.125 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.532 8.533 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.952 7.882 -3.786 1.00 0.00 H new ATOM 0 HG SER A 5 -16.972 7.641 -6.070 1.00 0.00 H new ATOM 48 N SER A 6 -17.024 4.628 -1.919 1.00 0.00 N ATOM 49 CA SER A 6 -16.135 3.618 -1.357 1.00 0.00 C ATOM 50 C SER A 6 -15.670 2.643 -2.434 1.00 0.00 C ATOM 51 O SER A 6 -16.388 1.712 -2.796 1.00 0.00 O ATOM 52 CB SER A 6 -16.840 2.856 -0.232 1.00 0.00 C ATOM 53 OG SER A 6 -15.990 1.868 0.324 1.00 0.00 O ATOM 0 H SER A 6 -18.017 4.415 -1.824 1.00 0.00 H new ATOM 0 HA SER A 6 -15.261 4.126 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.150 3.554 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.745 2.387 -0.618 1.00 0.00 H new ATOM 0 HG SER A 6 -16.462 1.396 1.041 1.00 0.00 H new ATOM 59 N GLY A 7 -14.461 2.864 -2.942 1.00 0.00 N ATOM 60 CA GLY A 7 -13.920 1.998 -3.973 1.00 0.00 C ATOM 61 C GLY A 7 -12.891 1.025 -3.431 1.00 0.00 C ATOM 62 O GLY A 7 -11.726 1.379 -3.254 1.00 0.00 O ATOM 0 H GLY A 7 -13.847 3.627 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.733 1.441 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.464 2.608 -4.753 1.00 0.00 H new ATOM 66 N ASN A 8 -13.322 -0.204 -3.166 1.00 0.00 N ATOM 67 CA ASN A 8 -12.430 -1.230 -2.639 1.00 0.00 C ATOM 68 C ASN A 8 -11.488 -1.742 -3.725 1.00 0.00 C ATOM 69 O ASN A 8 -11.844 -1.780 -4.903 1.00 0.00 O ATOM 70 CB ASN A 8 -13.240 -2.392 -2.062 1.00 0.00 C ATOM 71 CG ASN A 8 -14.167 -3.016 -3.087 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.361 -2.719 -3.122 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.620 -3.887 -3.926 1.00 0.00 N ATOM 0 H ASN A 8 -14.284 -0.513 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.832 -0.783 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.558 -3.153 -1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.826 -2.037 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.194 -4.340 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.625 -4.103 -3.860 1.00 0.00 H new ATOM 80 N VAL A 9 -10.285 -2.136 -3.320 1.00 0.00 N ATOM 81 CA VAL A 9 -9.292 -2.647 -4.257 1.00 0.00 C ATOM 82 C VAL A 9 -8.425 -3.720 -3.608 1.00 0.00 C ATOM 83 O VAL A 9 -7.622 -3.431 -2.720 1.00 0.00 O ATOM 84 CB VAL A 9 -8.386 -1.519 -4.785 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.222 -2.096 -5.577 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.188 -0.545 -5.635 1.00 0.00 C ATOM 0 H VAL A 9 -9.974 -2.111 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.840 -3.083 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.981 -0.974 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.593 -1.284 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.633 -2.751 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.605 -2.667 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.532 0.245 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.624 -1.075 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.984 -0.107 -5.033 1.00 0.00 H new ATOM 96 N VAL A 10 -8.591 -4.960 -4.057 1.00 0.00 N ATOM 97 CA VAL A 10 -7.822 -6.076 -3.521 1.00 0.00 C ATOM 98 C VAL A 10 -6.928 -6.692 -4.592 1.00 0.00 C ATOM 99 O VAL A 10 -7.402 -7.400 -5.480 1.00 0.00 O ATOM 100 CB VAL A 10 -8.744 -7.169 -2.948 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.971 -8.081 -2.007 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.934 -6.542 -2.237 1.00 0.00 C ATOM 0 H VAL A 10 -9.251 -5.217 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.202 -5.676 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.119 -7.773 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.639 -8.847 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.155 -8.557 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.565 -7.494 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.575 -7.328 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.580 -5.913 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.501 -5.935 -2.943 1.00 0.00 H new ATOM 112 N LEU A 11 -5.631 -6.417 -4.501 1.00 0.00 N ATOM 113 CA LEU A 11 -4.669 -6.945 -5.462 1.00 0.00 C ATOM 114 C LEU A 11 -4.028 -8.227 -4.942 1.00 0.00 C ATOM 115 O LEU A 11 -3.700 -8.353 -3.762 1.00 0.00 O ATOM 116 CB LEU A 11 -3.588 -5.903 -5.754 1.00 0.00 C ATOM 117 CG LEU A 11 -4.077 -4.471 -5.975 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.901 -3.533 -6.200 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.041 -4.413 -7.151 1.00 0.00 C ATOM 0 H LEU A 11 -5.222 -5.832 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.202 -7.176 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.881 -5.900 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.038 -6.218 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.607 -4.146 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.269 -2.519 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.248 -3.552 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.342 -3.855 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.379 -3.387 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.536 -4.758 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.900 -5.053 -6.949 1.00 0.00 H new ATOM 131 N PRO A 12 -3.841 -9.203 -5.843 1.00 0.00 N ATOM 132 CA PRO A 12 -3.235 -10.493 -5.500 1.00 0.00 C ATOM 133 C PRO A 12 -1.749 -10.369 -5.182 1.00 0.00 C ATOM 134 O PRO A 12 -0.996 -9.737 -5.922 1.00 0.00 O ATOM 135 CB PRO A 12 -3.443 -11.331 -6.764 1.00 0.00 C ATOM 136 CG PRO A 12 -3.547 -10.334 -7.866 1.00 0.00 C ATOM 137 CD PRO A 12 -4.207 -9.122 -7.267 1.00 0.00 C ATOM 0 HA PRO A 12 -3.682 -10.928 -4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.611 -12.016 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.346 -11.938 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.562 -10.086 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.134 -10.729 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.845 -8.201 -7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.288 -9.143 -7.406 1.00 0.00 H new ATOM 145 N GLY A 13 -1.332 -10.976 -4.074 1.00 0.00 N ATOM 146 CA GLY A 13 0.063 -10.921 -3.678 1.00 0.00 C ATOM 147 C GLY A 13 0.654 -12.297 -3.447 1.00 0.00 C ATOM 148 O GLY A 13 0.113 -13.311 -3.888 1.00 0.00 O ATOM 0 H GLY A 13 -1.936 -11.505 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.637 -10.407 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.156 -10.331 -2.766 1.00 0.00 H new ATOM 152 N PRO A 14 1.794 -12.345 -2.741 1.00 0.00 N ATOM 153 CA PRO A 14 2.448 -11.144 -2.212 1.00 0.00 C ATOM 154 C PRO A 14 3.052 -10.280 -3.314 1.00 0.00 C ATOM 155 O PRO A 14 2.890 -10.567 -4.500 1.00 0.00 O ATOM 156 CB PRO A 14 3.550 -11.708 -1.311 1.00 0.00 C ATOM 157 CG PRO A 14 3.839 -13.060 -1.867 1.00 0.00 C ATOM 158 CD PRO A 14 2.532 -13.574 -2.406 1.00 0.00 C ATOM 0 HA PRO A 14 1.745 -10.492 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.437 -11.075 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.221 -11.769 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.591 -13.006 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.231 -13.723 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.679 -14.206 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.000 -14.173 -1.667 1.00 0.00 H new ATOM 166 N ALA A 15 3.748 -9.221 -2.914 1.00 0.00 N ATOM 167 CA ALA A 15 4.378 -8.316 -3.868 1.00 0.00 C ATOM 168 C ALA A 15 5.308 -9.073 -4.811 1.00 0.00 C ATOM 169 O ALA A 15 5.685 -10.218 -4.562 1.00 0.00 O ATOM 170 CB ALA A 15 5.142 -7.224 -3.134 1.00 0.00 C ATOM 0 H ALA A 15 3.890 -8.969 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 15 3.593 -7.855 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.607 -6.556 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.454 -6.657 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.913 -7.676 -2.510 1.00 0.00 H new ATOM 176 N PRO A 16 5.687 -8.420 -5.919 1.00 0.00 N ATOM 177 CA PRO A 16 5.244 -7.056 -6.226 1.00 0.00 C ATOM 178 C PRO A 16 3.761 -6.994 -6.577 1.00 0.00 C ATOM 179 O PRO A 16 3.142 -8.014 -6.878 1.00 0.00 O ATOM 180 CB PRO A 16 6.097 -6.669 -7.436 1.00 0.00 C ATOM 181 CG PRO A 16 6.453 -7.966 -8.078 1.00 0.00 C ATOM 182 CD PRO A 16 6.577 -8.962 -6.959 1.00 0.00 C ATOM 0 HA PRO A 16 5.363 -6.387 -5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.544 -6.027 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.988 -6.119 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.686 -8.272 -8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.388 -7.883 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.268 -9.959 -7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.605 -9.043 -6.606 1.00 0.00 H new ATOM 190 N TRP A 17 3.199 -5.791 -6.539 1.00 0.00 N ATOM 191 CA TRP A 17 1.789 -5.597 -6.854 1.00 0.00 C ATOM 192 C TRP A 17 1.615 -5.098 -8.285 1.00 0.00 C ATOM 193 O TRP A 17 0.770 -5.597 -9.027 1.00 0.00 O ATOM 194 CB TRP A 17 1.158 -4.605 -5.875 1.00 0.00 C ATOM 195 CG TRP A 17 1.353 -4.984 -4.438 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.150 -4.353 -3.526 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.741 -6.080 -3.750 1.00 0.00 C ATOM 198 NE1 TRP A 17 2.070 -4.992 -2.312 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.212 -6.054 -2.423 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.160 -7.080 -4.126 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.812 -6.990 -1.473 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.556 -8.009 -3.182 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.071 -7.958 -1.868 1.00 0.00 C ATOM 0 H TRP A 17 3.698 -4.936 -6.293 1.00 0.00 H new ATOM 0 HA TRP A 17 1.286 -6.559 -6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.586 -3.617 -6.044 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.090 -4.530 -6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.754 -3.481 -3.729 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.569 -4.720 -1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.540 -7.126 -5.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 1.185 -6.953 -0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.251 -8.787 -3.462 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.401 -8.697 -1.153 1.00 0.00 H new ATOM 214 N GLY A 18 2.419 -4.111 -8.665 1.00 0.00 N ATOM 215 CA GLY A 18 2.338 -3.562 -10.006 1.00 0.00 C ATOM 216 C GLY A 18 1.959 -2.094 -10.009 1.00 0.00 C ATOM 217 O GLY A 18 2.054 -1.423 -11.038 1.00 0.00 O ATOM 0 H GLY A 18 3.126 -3.681 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.299 -3.687 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.604 -4.125 -10.582 1.00 0.00 H new ATOM 221 N PHE A 19 1.528 -1.593 -8.857 1.00 0.00 N ATOM 222 CA PHE A 19 1.131 -0.195 -8.731 1.00 0.00 C ATOM 223 C PHE A 19 2.211 0.615 -8.019 1.00 0.00 C ATOM 224 O PHE A 19 3.113 0.055 -7.397 1.00 0.00 O ATOM 225 CB PHE A 19 -0.191 -0.085 -7.970 1.00 0.00 C ATOM 226 CG PHE A 19 -0.020 -0.006 -6.480 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.179 -1.154 -5.730 1.00 0.00 C ATOM 228 CD2 PHE A 19 -0.057 1.217 -5.828 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.336 -1.084 -4.359 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.100 1.293 -4.457 1.00 0.00 C ATOM 231 CZ PHE A 19 0.298 0.141 -3.722 1.00 0.00 C ATOM 0 H PHE A 19 1.444 -2.134 -7.996 1.00 0.00 H new ATOM 0 HA PHE A 19 0.999 0.211 -9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.726 0.800 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.813 -0.947 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.212 -2.115 -6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.210 2.121 -6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.488 -1.987 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.068 2.252 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.423 0.198 -2.651 1.00 0.00 H new ATOM 241 N ARG A 20 2.110 1.937 -8.116 1.00 0.00 N ATOM 242 CA ARG A 20 3.078 2.824 -7.483 1.00 0.00 C ATOM 243 C ARG A 20 2.383 3.806 -6.544 1.00 0.00 C ATOM 244 O ARG A 20 1.154 3.844 -6.467 1.00 0.00 O ATOM 245 CB ARG A 20 3.869 3.591 -8.544 1.00 0.00 C ATOM 246 CG ARG A 20 4.250 2.746 -9.749 1.00 0.00 C ATOM 247 CD ARG A 20 5.054 1.522 -9.339 1.00 0.00 C ATOM 248 NE ARG A 20 6.489 1.793 -9.315 1.00 0.00 N ATOM 249 CZ ARG A 20 7.370 1.032 -8.677 1.00 0.00 C ATOM 250 NH1 ARG A 20 6.966 -0.042 -8.013 1.00 0.00 N ATOM 251 NH2 ARG A 20 8.660 1.344 -8.701 1.00 0.00 N ATOM 0 H ARG A 20 1.368 2.417 -8.626 1.00 0.00 H new ATOM 0 HA ARG A 20 3.765 2.212 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.278 4.443 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.776 3.991 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.348 2.431 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.832 3.348 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.731 1.190 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.851 0.706 -10.032 1.00 0.00 H new ATOM 0 HE ARG A 20 6.833 2.612 -9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.976 -0.286 -7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.645 -0.625 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.976 2.170 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.336 0.758 -8.210 1.00 0.00 H new ATOM 265 N LEU A 21 3.176 4.598 -5.831 1.00 0.00 N ATOM 266 CA LEU A 21 2.638 5.580 -4.897 1.00 0.00 C ATOM 267 C LEU A 21 3.333 6.928 -5.062 1.00 0.00 C ATOM 268 O LEU A 21 4.515 6.990 -5.399 1.00 0.00 O ATOM 269 CB LEU A 21 2.797 5.085 -3.458 1.00 0.00 C ATOM 270 CG LEU A 21 3.992 4.169 -3.192 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.294 4.878 -3.531 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.996 3.705 -1.742 1.00 0.00 C ATOM 0 H LEU A 21 4.195 4.579 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 21 1.578 5.709 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.877 5.953 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.888 4.555 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 21 3.903 3.292 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.133 4.211 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.292 5.159 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.391 5.773 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.853 3.054 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.060 4.571 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.077 3.157 -1.533 1.00 0.00 H new ATOM 284 N SER A 22 2.591 8.004 -4.821 1.00 0.00 N ATOM 285 CA SER A 22 3.135 9.351 -4.945 1.00 0.00 C ATOM 286 C SER A 22 2.390 10.323 -4.035 1.00 0.00 C ATOM 287 O SER A 22 1.161 10.338 -3.997 1.00 0.00 O ATOM 288 CB SER A 22 3.051 9.826 -6.397 1.00 0.00 C ATOM 289 OG SER A 22 4.214 9.465 -7.120 1.00 0.00 O ATOM 0 H SER A 22 1.611 7.969 -4.539 1.00 0.00 H new ATOM 0 HA SER A 22 4.181 9.324 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.173 9.392 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.925 10.908 -6.422 1.00 0.00 H new ATOM 0 HG SER A 22 4.135 9.778 -8.045 1.00 0.00 H new ATOM 295 N GLY A 23 3.146 11.136 -3.303 1.00 0.00 N ATOM 296 CA GLY A 23 2.542 12.101 -2.403 1.00 0.00 C ATOM 297 C GLY A 23 2.974 11.901 -0.963 1.00 0.00 C ATOM 298 O GLY A 23 4.059 11.384 -0.700 1.00 0.00 O ATOM 0 H GLY A 23 4.166 11.143 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.809 13.108 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.457 12.024 -2.468 1.00 0.00 H new ATOM 302 N GLY A 24 2.123 12.314 -0.029 1.00 0.00 N ATOM 303 CA GLY A 24 2.442 12.171 1.380 1.00 0.00 C ATOM 304 C GLY A 24 1.919 13.324 2.213 1.00 0.00 C ATOM 305 O GLY A 24 2.193 14.487 1.915 1.00 0.00 O ATOM 0 H GLY A 24 1.219 12.745 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.020 11.237 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.523 12.102 1.499 1.00 0.00 H new ATOM 309 N ILE A 25 1.164 13.003 3.258 1.00 0.00 N ATOM 310 CA ILE A 25 0.601 14.021 4.135 1.00 0.00 C ATOM 311 C ILE A 25 1.658 15.044 4.539 1.00 0.00 C ATOM 312 O ILE A 25 1.334 16.164 4.934 1.00 0.00 O ATOM 313 CB ILE A 25 -0.005 13.397 5.406 1.00 0.00 C ATOM 314 CG1 ILE A 25 1.073 12.655 6.200 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.145 12.458 5.043 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.691 12.395 7.640 1.00 0.00 C ATOM 0 H ILE A 25 0.928 12.045 3.518 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.189 14.520 3.573 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.404 14.196 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.283 11.704 5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.995 13.236 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.563 12.025 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.920 13.014 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.770 11.661 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.501 11.866 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.509 13.344 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.213 11.788 7.673 1.00 0.00 H new ATOM 328 N ASP A 26 2.923 14.652 4.435 1.00 0.00 N ATOM 329 CA ASP A 26 4.029 15.535 4.786 1.00 0.00 C ATOM 330 C ASP A 26 4.352 16.484 3.636 1.00 0.00 C ATOM 331 O ASP A 26 4.705 17.643 3.855 1.00 0.00 O ATOM 332 CB ASP A 26 5.268 14.716 5.151 1.00 0.00 C ATOM 333 CG ASP A 26 6.359 15.563 5.776 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.022 16.527 6.495 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.549 15.263 5.546 1.00 0.00 O ATOM 0 H ASP A 26 3.208 13.728 4.110 1.00 0.00 H new ATOM 0 HA ASP A 26 3.728 16.128 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.985 13.924 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.657 14.232 4.255 1.00 0.00 H new ATOM 340 N PHE A 27 4.230 15.985 2.411 1.00 0.00 N ATOM 341 CA PHE A 27 4.511 16.788 1.227 1.00 0.00 C ATOM 342 C PHE A 27 3.282 17.588 0.808 1.00 0.00 C ATOM 343 O PHE A 27 3.247 18.170 -0.275 1.00 0.00 O ATOM 344 CB PHE A 27 4.968 15.891 0.073 1.00 0.00 C ATOM 345 CG PHE A 27 6.309 15.256 0.302 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.475 15.981 0.112 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.405 13.935 0.708 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.711 15.399 0.321 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.638 13.348 0.920 1.00 0.00 C ATOM 350 CZ PHE A 27 8.793 14.081 0.727 1.00 0.00 C ATOM 0 H PHE A 27 3.938 15.028 2.212 1.00 0.00 H new ATOM 0 HA PHE A 27 5.310 17.487 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.226 15.108 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.006 16.482 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.417 17.012 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.506 13.357 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.612 15.974 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.699 12.317 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.758 13.625 0.893 1.00 0.00 H new ATOM 360 N ASN A 28 2.274 17.611 1.675 1.00 0.00 N ATOM 361 CA ASN A 28 1.042 18.339 1.395 1.00 0.00 C ATOM 362 C ASN A 28 0.369 17.804 0.134 1.00 0.00 C ATOM 363 O ASN A 28 -0.162 18.570 -0.669 1.00 0.00 O ATOM 364 CB ASN A 28 1.331 19.833 1.238 1.00 0.00 C ATOM 365 CG ASN A 28 1.882 20.452 2.508 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.882 19.987 3.055 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.229 21.506 2.983 1.00 0.00 N ATOM 0 H ASN A 28 2.287 17.134 2.577 1.00 0.00 H new ATOM 0 HA ASN A 28 0.365 18.194 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.044 19.979 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.414 20.350 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.552 21.965 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.404 21.857 2.496 1.00 0.00 H new ATOM 374 N GLN A 29 0.395 16.486 -0.030 1.00 0.00 N ATOM 375 CA GLN A 29 -0.213 15.849 -1.193 1.00 0.00 C ATOM 376 C GLN A 29 -0.778 14.480 -0.830 1.00 0.00 C ATOM 377 O GLN A 29 -0.195 13.727 -0.051 1.00 0.00 O ATOM 378 CB GLN A 29 0.814 15.708 -2.318 1.00 0.00 C ATOM 379 CG GLN A 29 1.044 16.994 -3.096 1.00 0.00 C ATOM 380 CD GLN A 29 1.729 16.756 -4.427 1.00 0.00 C ATOM 381 OE1 GLN A 29 2.863 17.185 -4.640 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.041 16.070 -5.332 1.00 0.00 N ATOM 0 H GLN A 29 0.830 15.838 0.627 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.032 16.481 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.761 15.375 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.482 14.931 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.087 17.487 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.650 17.674 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.104 15.733 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.450 15.880 -6.247 1.00 0.00 H new ATOM 391 N PRO A 30 -1.943 14.148 -1.408 1.00 0.00 N ATOM 392 CA PRO A 30 -2.612 12.868 -1.161 1.00 0.00 C ATOM 393 C PRO A 30 -1.861 11.692 -1.775 1.00 0.00 C ATOM 394 O PRO A 30 -1.323 11.794 -2.878 1.00 0.00 O ATOM 395 CB PRO A 30 -3.974 13.044 -1.837 1.00 0.00 C ATOM 396 CG PRO A 30 -3.743 14.068 -2.894 1.00 0.00 C ATOM 397 CD PRO A 30 -2.694 14.997 -2.347 1.00 0.00 C ATOM 0 HA PRO A 30 -2.674 12.640 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.328 12.106 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.730 13.374 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.408 13.603 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.662 14.608 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.052 15.388 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.140 15.855 -1.844 1.00 0.00 H new ATOM 405 N LEU A 31 -1.827 10.577 -1.054 1.00 0.00 N ATOM 406 CA LEU A 31 -1.141 9.380 -1.529 1.00 0.00 C ATOM 407 C LEU A 31 -1.866 8.775 -2.727 1.00 0.00 C ATOM 408 O LEU A 31 -2.838 8.036 -2.569 1.00 0.00 O ATOM 409 CB LEU A 31 -1.039 8.347 -0.405 1.00 0.00 C ATOM 410 CG LEU A 31 -0.187 8.748 0.800 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.600 7.958 2.032 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.290 8.540 0.502 1.00 0.00 C ATOM 0 H LEU A 31 -2.266 10.476 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.137 9.667 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.046 8.121 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.633 7.425 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.351 9.807 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.017 8.257 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.648 8.157 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.466 6.893 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.881 8.831 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.471 7.489 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.578 9.151 -0.354 1.00 0.00 H new ATOM 424 N VAL A 32 -1.386 9.093 -3.925 1.00 0.00 N ATOM 425 CA VAL A 32 -1.986 8.578 -5.150 1.00 0.00 C ATOM 426 C VAL A 32 -1.022 7.658 -5.890 1.00 0.00 C ATOM 427 O VAL A 32 0.146 7.537 -5.517 1.00 0.00 O ATOM 428 CB VAL A 32 -2.410 9.722 -6.090 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.504 10.563 -5.450 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.210 10.582 -6.456 1.00 0.00 C ATOM 0 H VAL A 32 -0.583 9.705 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.870 8.012 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.810 9.287 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.790 11.366 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.371 9.936 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.136 10.991 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.527 11.386 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.779 11.009 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.463 9.969 -6.959 1.00 0.00 H new ATOM 440 N ILE A 33 -1.518 7.011 -6.939 1.00 0.00 N ATOM 441 CA ILE A 33 -0.700 6.102 -7.732 1.00 0.00 C ATOM 442 C ILE A 33 0.115 6.862 -8.773 1.00 0.00 C ATOM 443 O ILE A 33 -0.391 7.770 -9.434 1.00 0.00 O ATOM 444 CB ILE A 33 -1.563 5.044 -8.445 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.246 4.137 -7.420 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.712 4.224 -9.403 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.210 3.148 -8.037 1.00 0.00 C ATOM 0 H ILE A 33 -2.482 7.099 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.024 5.601 -7.039 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.334 5.554 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.483 3.591 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.783 4.755 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.336 3.481 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.268 4.882 -10.150 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.079 3.721 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.657 2.538 -7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.994 3.687 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.674 2.505 -8.735 1.00 0.00 H new ATOM 459 N THR A 34 1.382 6.485 -8.915 1.00 0.00 N ATOM 460 CA THR A 34 2.268 7.130 -9.876 1.00 0.00 C ATOM 461 C THR A 34 2.159 6.477 -11.249 1.00 0.00 C ATOM 462 O THR A 34 2.096 7.163 -12.270 1.00 0.00 O ATOM 463 CB THR A 34 3.736 7.078 -9.410 1.00 0.00 C ATOM 464 OG1 THR A 34 4.406 5.972 -10.025 1.00 0.00 O ATOM 465 CG2 THR A 34 3.818 6.950 -7.897 1.00 0.00 C ATOM 0 H THR A 34 1.817 5.736 -8.376 1.00 0.00 H new ATOM 0 HA THR A 34 1.954 8.171 -9.946 1.00 0.00 H new ATOM 0 HB THR A 34 4.222 8.007 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.339 5.947 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.864 6.915 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.332 7.808 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.317 6.035 -7.582 1.00 0.00 H new ATOM 473 N ARG A 35 2.137 5.149 -11.267 1.00 0.00 N ATOM 474 CA ARG A 35 2.037 4.403 -12.516 1.00 0.00 C ATOM 475 C ARG A 35 1.394 3.039 -12.284 1.00 0.00 C ATOM 476 O ARG A 35 1.331 2.555 -11.154 1.00 0.00 O ATOM 477 CB ARG A 35 3.421 4.228 -13.143 1.00 0.00 C ATOM 478 CG ARG A 35 3.800 5.342 -14.105 1.00 0.00 C ATOM 479 CD ARG A 35 3.057 5.214 -15.426 1.00 0.00 C ATOM 480 NE ARG A 35 2.991 6.486 -16.142 1.00 0.00 N ATOM 481 CZ ARG A 35 2.609 6.596 -17.409 1.00 0.00 C ATOM 482 NH1 ARG A 35 2.260 5.518 -18.096 1.00 0.00 N ATOM 483 NH2 ARG A 35 2.575 7.788 -17.991 1.00 0.00 N ATOM 0 H ARG A 35 2.187 4.567 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 35 1.406 4.971 -13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.166 4.176 -12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.453 3.276 -13.673 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.575 6.308 -13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.874 5.317 -14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.553 4.472 -16.051 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.047 4.850 -15.240 1.00 0.00 H new ATOM 0 HE ARG A 35 3.253 7.335 -15.642 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.284 4.600 -17.652 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.967 5.606 -19.069 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.842 8.620 -17.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.282 7.872 -18.964 1.00 0.00 H new ATOM 497 N ILE A 36 0.919 2.424 -13.362 1.00 0.00 N ATOM 498 CA ILE A 36 0.282 1.115 -13.276 1.00 0.00 C ATOM 499 C ILE A 36 0.913 0.131 -14.255 1.00 0.00 C ATOM 500 O ILE A 36 1.104 0.443 -15.431 1.00 0.00 O ATOM 501 CB ILE A 36 -1.229 1.205 -13.558 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.928 2.013 -12.462 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.832 -0.188 -13.662 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.800 1.399 -11.085 1.00 0.00 C ATOM 0 H ILE A 36 0.963 2.811 -14.305 1.00 0.00 H new ATOM 0 HA ILE A 36 0.433 0.757 -12.258 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.376 1.716 -14.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.511 3.020 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.985 2.110 -12.711 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.901 -0.108 -13.862 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.351 -0.733 -14.474 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.677 -0.722 -12.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.319 2.024 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.243 0.403 -11.088 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.746 1.327 -10.815 1.00 0.00 H new ATOM 516 N THR A 37 1.235 -1.061 -13.763 1.00 0.00 N ATOM 517 CA THR A 37 1.844 -2.092 -14.594 1.00 0.00 C ATOM 518 C THR A 37 0.911 -2.509 -15.725 1.00 0.00 C ATOM 519 O THR A 37 -0.269 -2.794 -15.515 1.00 0.00 O ATOM 520 CB THR A 37 2.215 -3.336 -13.764 1.00 0.00 C ATOM 521 OG1 THR A 37 3.094 -2.968 -12.696 1.00 0.00 O ATOM 522 CG2 THR A 37 2.880 -4.389 -14.636 1.00 0.00 C ATOM 0 H THR A 37 1.084 -1.336 -12.793 1.00 0.00 H new ATOM 0 HA THR A 37 2.752 -1.662 -15.016 1.00 0.00 H new ATOM 0 HB THR A 37 1.298 -3.756 -13.350 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.835 -2.090 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.133 -5.258 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.196 -4.688 -15.430 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.788 -3.977 -15.075 1.00 0.00 H new ATOM 530 N PRO A 38 1.449 -2.548 -16.953 1.00 0.00 N ATOM 531 CA PRO A 38 0.681 -2.931 -18.141 1.00 0.00 C ATOM 532 C PRO A 38 0.320 -4.412 -18.146 1.00 0.00 C ATOM 533 O PRO A 38 1.181 -5.271 -17.965 1.00 0.00 O ATOM 534 CB PRO A 38 1.632 -2.608 -19.297 1.00 0.00 C ATOM 535 CG PRO A 38 2.994 -2.684 -18.699 1.00 0.00 C ATOM 536 CD PRO A 38 2.848 -2.221 -17.275 1.00 0.00 C ATOM 0 HA PRO A 38 -0.273 -2.407 -18.196 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.518 -3.320 -20.114 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.434 -1.618 -19.707 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.382 -3.702 -18.741 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.695 -2.053 -19.245 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.544 -2.735 -16.612 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.044 -1.153 -17.177 1.00 0.00 H new ATOM 544 N GLY A 39 -0.961 -4.704 -18.354 1.00 0.00 N ATOM 545 CA GLY A 39 -1.412 -6.083 -18.379 1.00 0.00 C ATOM 546 C GLY A 39 -0.803 -6.913 -17.266 1.00 0.00 C ATOM 547 O GLY A 39 0.048 -7.767 -17.515 1.00 0.00 O ATOM 0 H GLY A 39 -1.693 -4.010 -18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.498 -6.108 -18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.157 -6.528 -19.341 1.00 0.00 H new ATOM 551 N SER A 40 -1.237 -6.660 -16.036 1.00 0.00 N ATOM 552 CA SER A 40 -0.724 -7.387 -14.880 1.00 0.00 C ATOM 553 C SER A 40 -1.707 -7.318 -13.715 1.00 0.00 C ATOM 554 O SER A 40 -2.810 -6.787 -13.848 1.00 0.00 O ATOM 555 CB SER A 40 0.631 -6.818 -14.453 1.00 0.00 C ATOM 556 OG SER A 40 0.474 -5.815 -13.464 1.00 0.00 O ATOM 0 H SER A 40 -1.942 -5.958 -15.814 1.00 0.00 H new ATOM 0 HA SER A 40 -0.598 -8.431 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.260 -7.620 -14.066 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.144 -6.401 -15.320 1.00 0.00 H new ATOM 0 HG SER A 40 1.178 -5.909 -12.789 1.00 0.00 H new ATOM 562 N LYS A 41 -1.299 -7.859 -12.572 1.00 0.00 N ATOM 563 CA LYS A 41 -2.141 -7.860 -11.382 1.00 0.00 C ATOM 564 C LYS A 41 -2.564 -6.442 -11.014 1.00 0.00 C ATOM 565 O LYS A 41 -3.604 -6.237 -10.390 1.00 0.00 O ATOM 566 CB LYS A 41 -1.399 -8.503 -10.208 1.00 0.00 C ATOM 567 CG LYS A 41 -1.038 -9.960 -10.441 1.00 0.00 C ATOM 568 CD LYS A 41 -0.067 -10.469 -9.389 1.00 0.00 C ATOM 569 CE LYS A 41 0.342 -11.909 -9.658 1.00 0.00 C ATOM 570 NZ LYS A 41 1.262 -12.430 -8.609 1.00 0.00 N ATOM 0 H LYS A 41 -0.389 -8.303 -12.445 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.036 -8.442 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.487 -7.938 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.018 -8.429 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.943 -10.567 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.595 -10.072 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.819 -9.835 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.527 -10.398 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.548 -12.537 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.828 -11.973 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.517 -13.414 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.123 -11.847 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.789 -12.393 -7.683 1.00 0.00 H new ATOM 584 N ALA A 42 -1.752 -5.466 -11.407 1.00 0.00 N ATOM 585 CA ALA A 42 -2.044 -4.067 -11.121 1.00 0.00 C ATOM 586 C ALA A 42 -3.167 -3.548 -12.012 1.00 0.00 C ATOM 587 O ALA A 42 -4.285 -3.321 -11.550 1.00 0.00 O ATOM 588 CB ALA A 42 -0.793 -3.219 -11.298 1.00 0.00 C ATOM 0 H ALA A 42 -0.886 -5.619 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.374 -3.995 -10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.026 -2.177 -11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.018 -3.567 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.437 -3.305 -12.325 1.00 0.00 H new ATOM 594 N ALA A 43 -2.862 -3.361 -13.292 1.00 0.00 N ATOM 595 CA ALA A 43 -3.847 -2.870 -14.248 1.00 0.00 C ATOM 596 C ALA A 43 -5.069 -3.780 -14.294 1.00 0.00 C ATOM 597 O ALA A 43 -6.203 -3.310 -14.385 1.00 0.00 O ATOM 598 CB ALA A 43 -3.225 -2.748 -15.631 1.00 0.00 C ATOM 0 H ALA A 43 -1.941 -3.542 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.174 -1.883 -13.920 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.972 -2.380 -16.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.388 -2.051 -15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.869 -3.725 -15.957 1.00 0.00 H new ATOM 604 N ALA A 44 -4.831 -5.086 -14.231 1.00 0.00 N ATOM 605 CA ALA A 44 -5.913 -6.062 -14.264 1.00 0.00 C ATOM 606 C ALA A 44 -6.871 -5.860 -13.095 1.00 0.00 C ATOM 607 O ALA A 44 -7.995 -6.362 -13.107 1.00 0.00 O ATOM 608 CB ALA A 44 -5.350 -7.476 -14.248 1.00 0.00 C ATOM 0 H ALA A 44 -3.898 -5.492 -14.157 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.472 -5.915 -15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.170 -8.194 -14.273 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.712 -7.623 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.765 -7.624 -13.340 1.00 0.00 H new ATOM 614 N ALA A 45 -6.419 -5.122 -12.087 1.00 0.00 N ATOM 615 CA ALA A 45 -7.237 -4.852 -10.911 1.00 0.00 C ATOM 616 C ALA A 45 -7.942 -3.505 -11.029 1.00 0.00 C ATOM 617 O ALA A 45 -8.346 -2.915 -10.028 1.00 0.00 O ATOM 618 CB ALA A 45 -6.383 -4.894 -9.653 1.00 0.00 C ATOM 0 H ALA A 45 -5.491 -4.700 -12.061 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.000 -5.627 -10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.007 -4.691 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.931 -5.881 -9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.598 -4.141 -9.721 1.00 0.00 H new ATOM 624 N ASN A 46 -8.085 -3.024 -12.260 1.00 0.00 N ATOM 625 CA ASN A 46 -8.740 -1.744 -12.509 1.00 0.00 C ATOM 626 C ASN A 46 -7.978 -0.604 -11.841 1.00 0.00 C ATOM 627 O ASN A 46 -8.576 0.359 -11.358 1.00 0.00 O ATOM 628 CB ASN A 46 -10.181 -1.778 -11.997 1.00 0.00 C ATOM 629 CG ASN A 46 -10.874 -3.091 -12.306 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.768 -3.616 -13.414 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.588 -3.628 -11.323 1.00 0.00 N ATOM 0 H ASN A 46 -7.757 -3.500 -13.100 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.747 -1.571 -13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.185 -1.613 -10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.743 -0.959 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.076 -4.511 -11.471 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.648 -3.157 -10.420 1.00 0.00 H new ATOM 638 N LEU A 47 -6.654 -0.719 -11.816 1.00 0.00 N ATOM 639 CA LEU A 47 -5.809 0.303 -11.208 1.00 0.00 C ATOM 640 C LEU A 47 -5.435 1.376 -12.225 1.00 0.00 C ATOM 641 O LEU A 47 -5.219 1.083 -13.401 1.00 0.00 O ATOM 642 CB LEU A 47 -4.543 -0.332 -10.631 1.00 0.00 C ATOM 643 CG LEU A 47 -4.754 -1.351 -9.509 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.429 -1.974 -9.098 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.431 -0.695 -8.314 1.00 0.00 C ATOM 0 H LEU A 47 -6.143 -1.509 -12.210 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.372 0.773 -10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.004 -0.821 -11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.900 0.464 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.404 -2.143 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.599 -2.696 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.983 -2.479 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.754 -1.194 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.573 -1.434 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.806 0.117 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.399 -0.297 -8.618 1.00 0.00 H new ATOM 657 N CYS A 48 -5.358 2.620 -11.764 1.00 0.00 N ATOM 658 CA CYS A 48 -5.008 3.737 -12.633 1.00 0.00 C ATOM 659 C CYS A 48 -4.296 4.834 -11.848 1.00 0.00 C ATOM 660 O CYS A 48 -4.638 5.136 -10.705 1.00 0.00 O ATOM 661 CB CYS A 48 -6.263 4.304 -13.300 1.00 0.00 C ATOM 662 SG CYS A 48 -6.094 6.017 -13.854 1.00 0.00 S ATOM 0 H CYS A 48 -5.533 2.880 -10.793 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.331 3.368 -13.403 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.520 3.680 -14.156 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.095 4.241 -12.598 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.205 6.406 -14.406 1.00 0.00 H new ATOM 668 N PRO A 49 -3.278 5.444 -12.474 1.00 0.00 N ATOM 669 CA PRO A 49 -2.495 6.516 -11.853 1.00 0.00 C ATOM 670 C PRO A 49 -3.297 7.803 -11.693 1.00 0.00 C ATOM 671 O PRO A 49 -3.430 8.583 -12.635 1.00 0.00 O ATOM 672 CB PRO A 49 -1.338 6.724 -12.834 1.00 0.00 C ATOM 673 CG PRO A 49 -1.867 6.260 -14.147 1.00 0.00 C ATOM 674 CD PRO A 49 -2.815 5.135 -13.837 1.00 0.00 C ATOM 0 HA PRO A 49 -2.175 6.255 -10.844 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.038 7.771 -12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.459 6.152 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.378 7.068 -14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.059 5.922 -14.796 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.643 5.101 -14.545 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.317 4.166 -13.882 1.00 0.00 H new ATOM 682 N GLY A 50 -3.829 8.018 -10.494 1.00 0.00 N ATOM 683 CA GLY A 50 -4.612 9.212 -10.234 1.00 0.00 C ATOM 684 C GLY A 50 -5.543 9.048 -9.049 1.00 0.00 C ATOM 685 O GLY A 50 -6.046 10.032 -8.505 1.00 0.00 O ATOM 0 H GLY A 50 -3.732 7.387 -9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.940 10.051 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.197 9.459 -11.120 1.00 0.00 H new ATOM 689 N ASP A 51 -5.776 7.803 -8.650 1.00 0.00 N ATOM 690 CA ASP A 51 -6.654 7.513 -7.522 1.00 0.00 C ATOM 691 C ASP A 51 -6.039 8.001 -6.214 1.00 0.00 C ATOM 692 O ASP A 51 -4.819 8.112 -6.093 1.00 0.00 O ATOM 693 CB ASP A 51 -6.935 6.012 -7.440 1.00 0.00 C ATOM 694 CG ASP A 51 -8.158 5.607 -8.237 1.00 0.00 C ATOM 695 OD1 ASP A 51 -9.110 6.411 -8.312 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.165 4.485 -8.786 1.00 0.00 O ATOM 0 H ASP A 51 -5.369 6.978 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.594 8.042 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.068 5.463 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.074 5.728 -6.397 1.00 0.00 H new ATOM 701 N VAL A 52 -6.892 8.292 -5.237 1.00 0.00 N ATOM 702 CA VAL A 52 -6.432 8.769 -3.938 1.00 0.00 C ATOM 703 C VAL A 52 -6.541 7.675 -2.882 1.00 0.00 C ATOM 704 O VAL A 52 -7.640 7.299 -2.473 1.00 0.00 O ATOM 705 CB VAL A 52 -7.238 9.997 -3.474 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.804 10.424 -2.080 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.082 11.141 -4.464 1.00 0.00 C ATOM 0 H VAL A 52 -7.905 8.206 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.386 9.053 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.292 9.724 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.384 11.293 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.972 9.606 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.745 10.680 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.658 12.000 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.030 11.416 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.446 10.828 -5.442 1.00 0.00 H new ATOM 717 N ILE A 53 -5.393 7.167 -2.444 1.00 0.00 N ATOM 718 CA ILE A 53 -5.359 6.117 -1.434 1.00 0.00 C ATOM 719 C ILE A 53 -5.898 6.620 -0.099 1.00 0.00 C ATOM 720 O ILE A 53 -5.250 7.413 0.585 1.00 0.00 O ATOM 721 CB ILE A 53 -3.931 5.580 -1.228 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.330 5.142 -2.566 1.00 0.00 C ATOM 723 CG2 ILE A 53 -3.937 4.423 -0.240 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.639 3.706 -2.926 1.00 0.00 C ATOM 0 H ILE A 53 -4.475 7.466 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.993 5.309 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.314 6.379 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.705 5.794 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.249 5.274 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.920 4.054 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.329 4.765 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.566 3.620 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.182 3.465 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.240 3.044 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.719 3.572 -2.995 1.00 0.00 H new ATOM 736 N LEU A 54 -7.087 6.154 0.266 1.00 0.00 N ATOM 737 CA LEU A 54 -7.714 6.555 1.521 1.00 0.00 C ATOM 738 C LEU A 54 -7.127 5.778 2.695 1.00 0.00 C ATOM 739 O LEU A 54 -6.691 6.365 3.685 1.00 0.00 O ATOM 740 CB LEU A 54 -9.226 6.333 1.453 1.00 0.00 C ATOM 741 CG LEU A 54 -9.965 7.086 0.347 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.259 6.371 -0.013 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.246 8.519 0.773 1.00 0.00 C ATOM 0 H LEU A 54 -7.637 5.498 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.516 7.616 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.411 5.266 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.659 6.619 2.412 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.329 7.110 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.772 6.921 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.033 5.363 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.901 6.315 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.773 9.040 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.862 8.517 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.305 9.028 0.979 1.00 0.00 H new ATOM 755 N ALA A 55 -7.117 4.454 2.577 1.00 0.00 N ATOM 756 CA ALA A 55 -6.580 3.597 3.626 1.00 0.00 C ATOM 757 C ALA A 55 -5.672 2.519 3.044 1.00 0.00 C ATOM 758 O ALA A 55 -6.075 1.771 2.153 1.00 0.00 O ATOM 759 CB ALA A 55 -7.712 2.964 4.422 1.00 0.00 C ATOM 0 H ALA A 55 -7.475 3.952 1.765 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.982 4.216 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.296 2.326 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.318 3.747 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.334 2.365 3.757 1.00 0.00 H new ATOM 765 N ILE A 56 -4.447 2.445 3.552 1.00 0.00 N ATOM 766 CA ILE A 56 -3.483 1.458 3.082 1.00 0.00 C ATOM 767 C ILE A 56 -3.562 0.178 3.906 1.00 0.00 C ATOM 768 O ILE A 56 -3.543 0.217 5.137 1.00 0.00 O ATOM 769 CB ILE A 56 -2.045 2.004 3.138 1.00 0.00 C ATOM 770 CG1 ILE A 56 -1.908 3.235 2.239 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.053 0.927 2.725 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.613 3.991 2.443 1.00 0.00 C ATOM 0 H ILE A 56 -4.098 3.057 4.290 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.738 1.237 2.046 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.824 2.300 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.977 2.923 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.745 3.907 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.041 1.328 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.136 0.077 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.270 0.603 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.584 4.851 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.550 4.333 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.230 3.334 2.227 1.00 0.00 H new ATOM 784 N ASP A 57 -3.647 -0.957 3.220 1.00 0.00 N ATOM 785 CA ASP A 57 -3.725 -2.251 3.889 1.00 0.00 C ATOM 786 C ASP A 57 -4.711 -2.203 5.052 1.00 0.00 C ATOM 787 O ASP A 57 -4.467 -2.781 6.110 1.00 0.00 O ATOM 788 CB ASP A 57 -2.344 -2.673 4.392 1.00 0.00 C ATOM 789 CG ASP A 57 -1.427 -3.111 3.267 1.00 0.00 C ATOM 790 OD1 ASP A 57 -0.831 -2.232 2.609 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.304 -4.334 3.045 1.00 0.00 O ATOM 0 H ASP A 57 -3.664 -1.007 2.201 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.080 -2.985 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.886 -1.841 4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.454 -3.489 5.106 1.00 0.00 H new ATOM 796 N GLY A 58 -5.826 -1.508 4.847 1.00 0.00 N ATOM 797 CA GLY A 58 -6.832 -1.397 5.888 1.00 0.00 C ATOM 798 C GLY A 58 -6.446 -0.400 6.963 1.00 0.00 C ATOM 799 O GLY A 58 -6.810 -0.560 8.128 1.00 0.00 O ATOM 0 H GLY A 58 -6.051 -1.020 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.780 -1.097 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.989 -2.375 6.343 1.00 0.00 H new ATOM 803 N PHE A 59 -5.706 0.632 6.572 1.00 0.00 N ATOM 804 CA PHE A 59 -5.268 1.658 7.511 1.00 0.00 C ATOM 805 C PHE A 59 -5.411 3.050 6.903 1.00 0.00 C ATOM 806 O PHE A 59 -4.728 3.390 5.938 1.00 0.00 O ATOM 807 CB PHE A 59 -3.814 1.416 7.922 1.00 0.00 C ATOM 808 CG PHE A 59 -3.536 -0.001 8.336 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.243 -0.585 9.374 1.00 0.00 C ATOM 810 CD2 PHE A 59 -2.568 -0.749 7.685 1.00 0.00 C ATOM 811 CE1 PHE A 59 -3.988 -1.888 9.757 1.00 0.00 C ATOM 812 CE2 PHE A 59 -2.309 -2.053 8.063 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.021 -2.624 9.100 1.00 0.00 C ATOM 0 H PHE A 59 -5.397 0.780 5.611 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.903 1.600 8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.161 1.678 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.562 2.083 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.002 -0.016 9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.009 -0.308 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.545 -2.331 10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.551 -2.625 7.548 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.822 -3.643 9.396 1.00 0.00 H new ATOM 823 N GLY A 60 -6.306 3.850 7.475 1.00 0.00 N ATOM 824 CA GLY A 60 -6.524 5.195 6.975 1.00 0.00 C ATOM 825 C GLY A 60 -5.253 6.021 6.961 1.00 0.00 C ATOM 826 O GLY A 60 -4.437 5.937 7.879 1.00 0.00 O ATOM 0 H GLY A 60 -6.883 3.591 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.931 5.142 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.271 5.693 7.594 1.00 0.00 H new ATOM 830 N THR A 61 -5.082 6.823 5.914 1.00 0.00 N ATOM 831 CA THR A 61 -3.900 7.665 5.781 1.00 0.00 C ATOM 832 C THR A 61 -4.148 9.055 6.357 1.00 0.00 C ATOM 833 O THR A 61 -3.712 10.057 5.793 1.00 0.00 O ATOM 834 CB THR A 61 -3.470 7.802 4.308 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.338 8.715 3.627 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.496 6.451 3.609 1.00 0.00 C ATOM 0 H THR A 61 -5.748 6.907 5.146 1.00 0.00 H new ATOM 0 HA THR A 61 -3.101 7.179 6.341 1.00 0.00 H new ATOM 0 HB THR A 61 -2.450 8.186 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.179 9.624 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.189 6.573 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.812 5.768 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.506 6.043 3.643 1.00 0.00 H new ATOM 844 N GLU A 62 -4.851 9.106 7.485 1.00 0.00 N ATOM 845 CA GLU A 62 -5.156 10.374 8.137 1.00 0.00 C ATOM 846 C GLU A 62 -3.881 11.055 8.627 1.00 0.00 C ATOM 847 O GLU A 62 -3.717 12.266 8.483 1.00 0.00 O ATOM 848 CB GLU A 62 -6.113 10.153 9.310 1.00 0.00 C ATOM 849 CG GLU A 62 -5.561 9.223 10.378 1.00 0.00 C ATOM 850 CD GLU A 62 -6.501 9.066 11.557 1.00 0.00 C ATOM 851 OE1 GLU A 62 -6.644 10.033 12.335 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.093 7.977 11.703 1.00 0.00 O ATOM 0 H GLU A 62 -5.219 8.285 7.965 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.635 11.023 7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.347 11.116 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.050 9.743 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.369 8.244 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.604 9.608 10.730 1.00 0.00 H new ATOM 859 N SER A 63 -2.982 10.266 9.207 1.00 0.00 N ATOM 860 CA SER A 63 -1.724 10.792 9.723 1.00 0.00 C ATOM 861 C SER A 63 -0.555 9.900 9.317 1.00 0.00 C ATOM 862 O SER A 63 0.425 9.771 10.050 1.00 0.00 O ATOM 863 CB SER A 63 -1.783 10.913 11.247 1.00 0.00 C ATOM 864 OG SER A 63 -1.864 9.636 11.857 1.00 0.00 O ATOM 0 H SER A 63 -3.102 9.261 9.331 1.00 0.00 H new ATOM 0 HA SER A 63 -1.570 11.782 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.898 11.436 11.608 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.647 11.512 11.534 1.00 0.00 H new ATOM 0 HG SER A 63 -1.899 9.740 12.831 1.00 0.00 H new ATOM 870 N MET A 64 -0.667 9.285 8.145 1.00 0.00 N ATOM 871 CA MET A 64 0.380 8.405 7.640 1.00 0.00 C ATOM 872 C MET A 64 1.162 9.078 6.516 1.00 0.00 C ATOM 873 O MET A 64 0.581 9.547 5.536 1.00 0.00 O ATOM 874 CB MET A 64 -0.224 7.091 7.141 1.00 0.00 C ATOM 875 CG MET A 64 0.605 6.411 6.064 1.00 0.00 C ATOM 876 SD MET A 64 0.442 4.615 6.092 1.00 0.00 S ATOM 877 CE MET A 64 -1.336 4.435 5.975 1.00 0.00 C ATOM 0 H MET A 64 -1.473 9.380 7.527 1.00 0.00 H new ATOM 0 HA MET A 64 1.067 8.193 8.459 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.338 6.410 7.984 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.223 7.285 6.751 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.300 6.784 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.653 6.679 6.195 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.670 3.666 6.672 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.815 5.382 6.223 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.606 4.147 4.959 1.00 0.00 H new ATOM 887 N THR A 65 2.482 9.123 6.664 1.00 0.00 N ATOM 888 CA THR A 65 3.342 9.741 5.662 1.00 0.00 C ATOM 889 C THR A 65 3.779 8.726 4.612 1.00 0.00 C ATOM 890 O THR A 65 3.680 7.517 4.823 1.00 0.00 O ATOM 891 CB THR A 65 4.594 10.367 6.306 1.00 0.00 C ATOM 892 OG1 THR A 65 5.336 9.365 7.010 1.00 0.00 O ATOM 893 CG2 THR A 65 4.209 11.486 7.261 1.00 0.00 C ATOM 0 H THR A 65 2.979 8.739 7.468 1.00 0.00 H new ATOM 0 HA THR A 65 2.757 10.526 5.184 1.00 0.00 H new ATOM 0 HB THR A 65 5.213 10.786 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.131 9.771 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.109 11.913 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.671 12.261 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.571 11.088 8.050 1.00 0.00 H new ATOM 901 N HIS A 66 4.262 9.225 3.478 1.00 0.00 N ATOM 902 CA HIS A 66 4.715 8.361 2.394 1.00 0.00 C ATOM 903 C HIS A 66 5.455 7.144 2.943 1.00 0.00 C ATOM 904 O HIS A 66 5.124 6.005 2.615 1.00 0.00 O ATOM 905 CB HIS A 66 5.624 9.137 1.440 1.00 0.00 C ATOM 906 CG HIS A 66 5.588 8.628 0.032 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.444 8.622 -0.737 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.566 8.108 -0.746 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.718 8.118 -1.927 1.00 0.00 C ATOM 910 NE2 HIS A 66 6.000 7.799 -1.959 1.00 0.00 N ATOM 0 H HIS A 66 4.350 10.223 3.286 1.00 0.00 H new ATOM 0 HA HIS A 66 3.838 8.016 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.331 10.187 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.649 9.090 1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.599 7.963 -0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.014 7.989 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.490 7.390 -2.755 1.00 0.00 H new ATOM 919 N ALA A 67 6.458 7.394 3.778 1.00 0.00 N ATOM 920 CA ALA A 67 7.243 6.319 4.372 1.00 0.00 C ATOM 921 C ALA A 67 6.343 5.293 5.051 1.00 0.00 C ATOM 922 O ALA A 67 6.328 4.121 4.675 1.00 0.00 O ATOM 923 CB ALA A 67 8.246 6.886 5.367 1.00 0.00 C ATOM 0 H ALA A 67 6.746 8.331 4.058 1.00 0.00 H new ATOM 0 HA ALA A 67 7.786 5.814 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.826 6.072 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.917 7.575 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.715 7.417 6.157 1.00 0.00 H new ATOM 929 N ASP A 68 5.595 5.740 6.054 1.00 0.00 N ATOM 930 CA ASP A 68 4.692 4.860 6.786 1.00 0.00 C ATOM 931 C ASP A 68 3.991 3.892 5.839 1.00 0.00 C ATOM 932 O ASP A 68 4.036 2.677 6.033 1.00 0.00 O ATOM 933 CB ASP A 68 3.655 5.682 7.554 1.00 0.00 C ATOM 934 CG ASP A 68 4.113 6.026 8.957 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.329 6.240 9.150 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.256 6.082 9.863 1.00 0.00 O ATOM 0 H ASP A 68 5.596 6.707 6.379 1.00 0.00 H new ATOM 0 HA ASP A 68 5.284 4.282 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.447 6.602 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.720 5.124 7.607 1.00 0.00 H new ATOM 941 N ALA A 69 3.343 4.438 4.815 1.00 0.00 N ATOM 942 CA ALA A 69 2.634 3.622 3.837 1.00 0.00 C ATOM 943 C ALA A 69 3.491 2.448 3.376 1.00 0.00 C ATOM 944 O ALA A 69 2.987 1.344 3.170 1.00 0.00 O ATOM 945 CB ALA A 69 2.214 4.471 2.647 1.00 0.00 C ATOM 0 H ALA A 69 3.294 5.442 4.641 1.00 0.00 H new ATOM 0 HA ALA A 69 1.741 3.220 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.686 3.849 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.557 5.272 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.098 4.901 2.177 1.00 0.00 H new ATOM 951 N GLN A 70 4.787 2.694 3.216 1.00 0.00 N ATOM 952 CA GLN A 70 5.713 1.657 2.778 1.00 0.00 C ATOM 953 C GLN A 70 5.737 0.496 3.767 1.00 0.00 C ATOM 954 O GLN A 70 5.641 -0.667 3.376 1.00 0.00 O ATOM 955 CB GLN A 70 7.120 2.235 2.617 1.00 0.00 C ATOM 956 CG GLN A 70 7.173 3.470 1.733 1.00 0.00 C ATOM 957 CD GLN A 70 6.841 3.167 0.285 1.00 0.00 C ATOM 958 OE1 GLN A 70 6.578 2.020 -0.076 1.00 0.00 O ATOM 959 NE2 GLN A 70 6.851 4.197 -0.553 1.00 0.00 N ATOM 0 H GLN A 70 5.220 3.603 3.383 1.00 0.00 H new ATOM 0 HA GLN A 70 5.370 1.282 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.516 2.486 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.772 1.469 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.474 4.215 2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.169 3.910 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.075 5.131 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.635 4.054 -1.540 1.00 0.00 H new ATOM 968 N ASP A 71 5.868 0.820 5.048 1.00 0.00 N ATOM 969 CA ASP A 71 5.904 -0.196 6.094 1.00 0.00 C ATOM 970 C ASP A 71 4.630 -1.035 6.081 1.00 0.00 C ATOM 971 O ASP A 71 4.574 -2.105 6.688 1.00 0.00 O ATOM 972 CB ASP A 71 6.085 0.458 7.464 1.00 0.00 C ATOM 973 CG ASP A 71 7.545 0.604 7.848 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.379 0.810 6.941 1.00 0.00 O ATOM 975 OD2 ASP A 71 7.853 0.514 9.054 1.00 0.00 O ATOM 0 H ASP A 71 5.951 1.778 5.388 1.00 0.00 H new ATOM 0 HA ASP A 71 6.752 -0.853 5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.614 1.441 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.572 -0.138 8.219 1.00 0.00 H new ATOM 980 N ARG A 72 3.610 -0.542 5.387 1.00 0.00 N ATOM 981 CA ARG A 72 2.336 -1.245 5.298 1.00 0.00 C ATOM 982 C ARG A 72 2.250 -2.052 4.006 1.00 0.00 C ATOM 983 O ARG A 72 1.710 -3.159 3.989 1.00 0.00 O ATOM 984 CB ARG A 72 1.175 -0.251 5.368 1.00 0.00 C ATOM 985 CG ARG A 72 0.891 0.256 6.773 1.00 0.00 C ATOM 986 CD ARG A 72 1.728 1.483 7.102 1.00 0.00 C ATOM 987 NE ARG A 72 1.135 2.277 8.175 1.00 0.00 N ATOM 988 CZ ARG A 72 1.836 3.080 8.968 1.00 0.00 C ATOM 989 NH1 ARG A 72 3.148 3.194 8.809 1.00 0.00 N ATOM 990 NH2 ARG A 72 1.226 3.771 9.922 1.00 0.00 N ATOM 0 H ARG A 72 3.641 0.341 4.878 1.00 0.00 H new ATOM 0 HA ARG A 72 2.269 -1.932 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.396 0.599 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.277 -0.726 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.167 0.500 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.101 -0.533 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.731 1.171 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.833 2.100 6.210 1.00 0.00 H new ATOM 0 HE ARG A 72 0.128 2.211 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.621 2.664 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.684 3.811 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.217 3.686 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.766 4.387 10.530 1.00 0.00 H new ATOM 1004 N ILE A 73 2.785 -1.491 2.927 1.00 0.00 N ATOM 1005 CA ILE A 73 2.769 -2.160 1.632 1.00 0.00 C ATOM 1006 C ILE A 73 3.795 -3.287 1.583 1.00 0.00 C ATOM 1007 O ILE A 73 3.571 -4.318 0.947 1.00 0.00 O ATOM 1008 CB ILE A 73 3.054 -1.172 0.485 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.922 -0.149 0.372 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.232 -1.921 -0.827 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.291 1.073 -0.441 1.00 0.00 C ATOM 0 H ILE A 73 3.235 -0.575 2.924 1.00 0.00 H new ATOM 0 HA ILE A 73 1.770 -2.576 1.504 1.00 0.00 H new ATOM 0 HB ILE A 73 3.979 -0.639 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.054 -0.628 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.626 0.166 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.433 -1.209 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.069 -2.614 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.322 -2.477 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.441 1.755 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.140 1.576 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.558 0.770 -1.453 1.00 0.00 H new ATOM 1023 N LYS A 74 4.920 -3.086 2.259 1.00 0.00 N ATOM 1024 CA LYS A 74 5.981 -4.086 2.296 1.00 0.00 C ATOM 1025 C LYS A 74 5.627 -5.218 3.256 1.00 0.00 C ATOM 1026 O LYS A 74 6.017 -6.367 3.046 1.00 0.00 O ATOM 1027 CB LYS A 74 7.304 -3.442 2.716 1.00 0.00 C ATOM 1028 CG LYS A 74 7.377 -3.114 4.197 1.00 0.00 C ATOM 1029 CD LYS A 74 8.814 -3.081 4.691 1.00 0.00 C ATOM 1030 CE LYS A 74 9.352 -4.484 4.932 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.468 -4.487 5.918 1.00 0.00 N ATOM 0 H LYS A 74 5.121 -2.239 2.790 1.00 0.00 H new ATOM 0 HA LYS A 74 6.089 -4.502 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.123 -4.114 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.452 -2.527 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.906 -2.148 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.814 -3.856 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.440 -2.571 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.869 -2.505 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.547 -5.125 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.699 -4.907 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.807 -5.460 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.246 -3.896 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.131 -4.107 6.825 1.00 0.00 H new ATOM 1045 N ALA A 75 4.886 -4.886 4.308 1.00 0.00 N ATOM 1046 CA ALA A 75 4.478 -5.876 5.297 1.00 0.00 C ATOM 1047 C ALA A 75 3.077 -6.401 5.003 1.00 0.00 C ATOM 1048 O ALA A 75 2.486 -7.111 5.816 1.00 0.00 O ATOM 1049 CB ALA A 75 4.537 -5.279 6.696 1.00 0.00 C ATOM 0 H ALA A 75 4.556 -3.940 4.497 1.00 0.00 H new ATOM 0 HA ALA A 75 5.171 -6.716 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.230 -6.029 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.556 -4.959 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.867 -4.421 6.754 1.00 0.00 H new ATOM 1055 N ALA A 76 2.550 -6.046 3.835 1.00 0.00 N ATOM 1056 CA ALA A 76 1.219 -6.482 3.433 1.00 0.00 C ATOM 1057 C ALA A 76 1.086 -7.998 3.529 1.00 0.00 C ATOM 1058 O ALA A 76 2.023 -8.689 3.930 1.00 0.00 O ATOM 1059 CB ALA A 76 0.914 -6.012 2.018 1.00 0.00 C ATOM 0 H ALA A 76 3.025 -5.457 3.151 1.00 0.00 H new ATOM 0 HA ALA A 76 0.496 -6.036 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.083 -6.345 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.959 -4.924 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.648 -6.430 1.329 1.00 0.00 H new ATOM 1065 N SER A 77 -0.083 -8.510 3.159 1.00 0.00 N ATOM 1066 CA SER A 77 -0.340 -9.945 3.207 1.00 0.00 C ATOM 1067 C SER A 77 -0.493 -10.517 1.801 1.00 0.00 C ATOM 1068 O SER A 77 -0.390 -9.794 0.810 1.00 0.00 O ATOM 1069 CB SER A 77 -1.599 -10.231 4.027 1.00 0.00 C ATOM 1070 OG SER A 77 -1.295 -10.350 5.406 1.00 0.00 O ATOM 0 H SER A 77 -0.868 -7.952 2.822 1.00 0.00 H new ATOM 0 HA SER A 77 0.513 -10.427 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.323 -9.429 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.065 -11.151 3.674 1.00 0.00 H new ATOM 0 HG SER A 77 -2.117 -10.531 5.908 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.739 -11.820 1.724 1.00 0.00 N ATOM 1077 CA TYR A 78 -0.903 -12.492 0.440 1.00 0.00 C ATOM 1078 C TYR A 78 -1.709 -11.629 -0.526 1.00 0.00 C ATOM 1079 O TYR A 78 -1.587 -11.763 -1.744 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.594 -13.843 0.633 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.847 -13.768 1.475 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.779 -13.812 2.862 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.099 -13.655 0.884 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.922 -13.744 3.636 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.247 -13.585 1.649 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.153 -13.630 3.025 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.294 -13.563 3.791 1.00 0.00 O ATOM 0 H TYR A 78 -0.829 -12.432 2.535 1.00 0.00 H new ATOM 0 HA TYR A 78 0.087 -12.655 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.847 -14.255 -0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.894 -14.536 1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.816 -13.901 3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.176 -13.621 -0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.852 -13.780 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.212 -13.496 1.173 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.076 -13.484 3.206 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.533 -10.744 0.026 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.359 -9.860 -0.786 1.00 0.00 C ATOM 1099 C GLN A 79 -3.340 -8.438 -0.234 1.00 0.00 C ATOM 1100 O GLN A 79 -3.509 -8.225 0.967 1.00 0.00 O ATOM 1101 CB GLN A 79 -4.797 -10.379 -0.842 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.367 -10.740 0.521 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.069 -9.574 1.188 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -5.515 -8.926 2.076 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.296 -9.300 0.762 1.00 0.00 N ATOM 0 H GLN A 79 -2.646 -10.621 1.032 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.947 -9.844 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.430 -9.621 -1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.833 -11.258 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.069 -11.566 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.561 -11.091 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.717 -9.863 0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.818 -8.526 1.173 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.134 -7.468 -1.118 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.092 -6.066 -0.720 1.00 0.00 C ATOM 1116 C LEU A 80 -4.486 -5.447 -0.760 1.00 0.00 C ATOM 1117 O LEU A 80 -5.281 -5.741 -1.653 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.148 -5.283 -1.633 1.00 0.00 C ATOM 1119 CG LEU A 80 -1.986 -3.796 -1.316 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.249 -3.608 0.001 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.252 -3.087 -2.445 1.00 0.00 C ATOM 0 H LEU A 80 -2.993 -7.627 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.721 -6.016 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.165 -5.752 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.505 -5.378 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.978 -3.355 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.143 -2.543 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.813 -4.081 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.261 -4.065 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.146 -2.030 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.265 -3.531 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.819 -3.192 -3.370 1.00 0.00 H new ATOM 1133 N CYS A 81 -4.774 -4.587 0.211 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.071 -3.925 0.286 1.00 0.00 C ATOM 1135 C CYS A 81 -5.906 -2.410 0.343 1.00 0.00 C ATOM 1136 O CYS A 81 -5.298 -1.876 1.272 1.00 0.00 O ATOM 1137 CB CYS A 81 -6.846 -4.412 1.511 1.00 0.00 C ATOM 1138 SG CYS A 81 -7.720 -5.975 1.258 1.00 0.00 S ATOM 0 H CYS A 81 -4.127 -4.332 0.957 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.632 -4.178 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.153 -4.526 2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.567 -3.647 1.799 1.00 0.00 H new ATOM 0 HG CYS A 81 -8.343 -6.305 2.350 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.449 -1.722 -0.656 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.360 -0.268 -0.720 1.00 0.00 C ATOM 1146 C LEU A 82 -7.725 0.349 -1.011 1.00 0.00 C ATOM 1147 O LEU A 82 -8.341 0.064 -2.038 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.358 0.155 -1.796 1.00 0.00 C ATOM 1149 CG LEU A 82 -3.884 -0.096 -1.475 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.031 0.072 -2.723 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.411 0.842 -0.373 1.00 0.00 C ATOM 0 H LEU A 82 -6.955 -2.148 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.017 0.093 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.603 -0.370 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.491 1.219 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.778 -1.122 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.985 -0.110 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.354 -0.640 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.142 1.087 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.360 0.649 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.531 1.875 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.003 0.674 0.527 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.192 1.196 -0.100 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.482 1.856 -0.258 1.00 0.00 C ATOM 1165 C LYS A 83 -9.328 3.181 -0.997 1.00 0.00 C ATOM 1166 O LYS A 83 -8.744 4.130 -0.473 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.128 2.094 1.109 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.517 2.703 1.028 1.00 0.00 C ATOM 1169 CD LYS A 83 -11.830 3.544 2.254 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.329 3.694 2.460 1.00 0.00 C ATOM 1171 NZ LYS A 83 -13.648 4.366 3.749 1.00 0.00 N ATOM 0 H LYS A 83 -7.695 1.442 0.756 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.126 1.204 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.187 1.146 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.486 2.751 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.593 3.321 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.258 1.909 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.385 3.083 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.376 4.529 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.753 4.269 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.799 2.711 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.572 4.036 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.915 4.137 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.680 5.395 3.605 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.856 3.239 -2.215 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.779 4.449 -3.024 1.00 0.00 C ATOM 1187 C ILE A 84 -11.118 5.178 -3.052 1.00 0.00 C ATOM 1188 O ILE A 84 -12.164 4.587 -2.785 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.348 4.134 -4.468 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.270 3.077 -5.080 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -7.902 3.665 -4.499 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.250 3.060 -6.592 1.00 0.00 C ATOM 0 H ILE A 84 -10.342 2.462 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.029 5.090 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.427 5.045 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.978 2.094 -4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.290 3.256 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.612 3.446 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.257 4.447 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.798 2.765 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.926 2.287 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.571 4.030 -6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.239 2.851 -6.940 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.078 6.465 -3.379 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.289 7.275 -3.445 1.00 0.00 C ATOM 1206 C ASP A 85 -12.828 7.330 -4.871 1.00 0.00 C ATOM 1207 O ASP A 85 -13.365 8.351 -5.303 1.00 0.00 O ATOM 1208 CB ASP A 85 -12.010 8.691 -2.937 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.282 9.472 -2.672 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -14.302 8.843 -2.322 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.257 10.713 -2.816 1.00 0.00 O ATOM 0 H ASP A 85 -10.220 6.970 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.042 6.811 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.423 8.636 -2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.406 9.225 -3.671 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.681 6.227 -5.597 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.151 6.151 -6.975 1.00 0.00 C ATOM 1218 C ARG A 86 -12.956 7.484 -7.691 1.00 0.00 C ATOM 1219 O ARG A 86 -13.747 7.857 -8.556 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.628 5.752 -7.011 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.067 5.161 -8.341 1.00 0.00 C ATOM 1222 CD ARG A 86 -16.564 4.895 -8.365 1.00 0.00 C ATOM 1223 NE ARG A 86 -17.315 6.044 -8.863 1.00 0.00 N ATOM 1224 CZ ARG A 86 -17.476 6.314 -10.153 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -16.941 5.521 -11.072 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.174 7.379 -10.528 1.00 0.00 N ATOM 0 H ARG A 86 -12.240 5.374 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.563 5.392 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.819 5.027 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.238 6.629 -6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.805 5.845 -9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.528 4.231 -8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.768 4.028 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -16.905 4.647 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 86 -17.739 6.674 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.404 4.701 -10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.066 5.731 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.588 7.991 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.297 7.585 -11.519 1.00 0.00 H new ATOM 1240 N ALA A 87 -11.896 8.197 -7.323 1.00 0.00 N ATOM 1241 CA ALA A 87 -11.596 9.488 -7.931 1.00 0.00 C ATOM 1242 C ALA A 87 -11.075 9.316 -9.354 1.00 0.00 C ATOM 1243 O ALA A 87 -9.877 9.137 -9.568 1.00 0.00 O ATOM 1244 CB ALA A 87 -10.585 10.247 -7.085 1.00 0.00 C ATOM 0 H ALA A 87 -11.231 7.903 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.520 10.064 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.370 11.209 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.994 10.410 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.665 9.667 -7.010 1.00 0.00 H new ATOM 1250 N GLU A 88 -11.984 9.372 -10.322 1.00 0.00 N ATOM 1251 CA GLU A 88 -11.615 9.222 -11.725 1.00 0.00 C ATOM 1252 C GLU A 88 -11.249 10.570 -12.339 1.00 0.00 C ATOM 1253 O GLU A 88 -10.279 10.681 -13.090 1.00 0.00 O ATOM 1254 CB GLU A 88 -12.763 8.585 -12.512 1.00 0.00 C ATOM 1255 CG GLU A 88 -14.088 9.311 -12.349 1.00 0.00 C ATOM 1256 CD GLU A 88 -15.129 8.858 -13.355 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -14.749 8.563 -14.508 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -16.321 8.799 -12.990 1.00 0.00 O ATOM 0 H GLU A 88 -12.980 9.520 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.743 8.570 -11.777 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.499 8.561 -13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.883 7.550 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.467 9.146 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.926 10.383 -12.457 1.00 0.00 H new ATOM 1265 N THR A 89 -12.032 11.594 -12.015 1.00 0.00 N ATOM 1266 CA THR A 89 -11.793 12.934 -12.535 1.00 0.00 C ATOM 1267 C THR A 89 -11.646 13.945 -11.403 1.00 0.00 C ATOM 1268 O THR A 89 -11.098 15.030 -11.595 1.00 0.00 O ATOM 1269 CB THR A 89 -12.932 13.387 -13.467 1.00 0.00 C ATOM 1270 OG1 THR A 89 -12.719 14.741 -13.879 1.00 0.00 O ATOM 1271 CG2 THR A 89 -14.280 13.269 -12.771 1.00 0.00 C ATOM 0 H THR A 89 -12.838 11.520 -11.394 1.00 0.00 H new ATOM 0 HA THR A 89 -10.864 12.891 -13.103 1.00 0.00 H new ATOM 0 HB THR A 89 -12.935 12.738 -14.343 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.447 15.021 -14.473 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.069 13.595 -13.449 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.452 12.231 -12.485 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.285 13.897 -11.880 1.00 0.00 H new ATOM 1279 N ARG A 90 -12.137 13.580 -10.223 1.00 0.00 N ATOM 1280 CA ARG A 90 -12.061 14.456 -9.060 1.00 0.00 C ATOM 1281 C ARG A 90 -12.417 15.892 -9.436 1.00 0.00 C ATOM 1282 O ARG A 90 -11.681 16.828 -9.121 1.00 0.00 O ATOM 1283 CB ARG A 90 -10.658 14.410 -8.452 1.00 0.00 C ATOM 1284 CG ARG A 90 -10.491 13.341 -7.385 1.00 0.00 C ATOM 1285 CD ARG A 90 -10.823 13.878 -6.001 1.00 0.00 C ATOM 1286 NE ARG A 90 -9.847 14.867 -5.550 1.00 0.00 N ATOM 1287 CZ ARG A 90 -10.070 15.718 -4.555 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -11.228 15.700 -3.910 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -9.133 16.589 -4.203 1.00 0.00 N ATOM 0 H ARG A 90 -12.592 12.684 -10.047 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.782 14.103 -8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.933 14.235 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.427 15.383 -8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.138 12.494 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.466 12.971 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.816 14.328 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.858 13.052 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.945 14.906 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.950 15.031 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.397 16.355 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.241 16.605 -4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.305 17.242 -3.439 1.00 0.00 H new ATOM 1303 N LEU A 91 -13.548 16.057 -10.113 1.00 0.00 N ATOM 1304 CA LEU A 91 -14.002 17.379 -10.533 1.00 0.00 C ATOM 1305 C LEU A 91 -15.039 17.932 -9.562 1.00 0.00 C ATOM 1306 O LEU A 91 -15.187 19.146 -9.421 1.00 0.00 O ATOM 1307 CB LEU A 91 -14.590 17.313 -11.943 1.00 0.00 C ATOM 1308 CG LEU A 91 -16.106 17.131 -12.030 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -16.625 17.612 -13.376 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -16.482 15.674 -11.801 1.00 0.00 C ATOM 0 H LEU A 91 -14.167 15.293 -10.383 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.142 18.048 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.323 18.229 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -14.114 16.489 -12.475 1.00 0.00 H new ATOM 0 HG LEU A 91 -16.570 17.733 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.705 17.475 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.388 18.669 -13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -16.154 17.038 -14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.564 15.563 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.007 15.052 -12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.144 15.362 -10.813 1.00 0.00 H new ATOM 1322 N TRP A 92 -15.754 17.034 -8.893 1.00 0.00 N ATOM 1323 CA TRP A 92 -16.776 17.434 -7.932 1.00 0.00 C ATOM 1324 C TRP A 92 -17.187 16.257 -7.054 1.00 0.00 C ATOM 1325 O TRP A 92 -17.872 15.341 -7.509 1.00 0.00 O ATOM 1326 CB TRP A 92 -17.999 17.993 -8.661 1.00 0.00 C ATOM 1327 CG TRP A 92 -18.762 19.000 -7.855 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -19.504 18.760 -6.734 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -18.858 20.406 -8.109 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -20.057 19.932 -6.276 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -19.674 20.956 -7.101 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -18.333 21.254 -9.087 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -19.977 22.314 -7.047 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -18.634 22.601 -9.033 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -19.449 23.121 -8.018 1.00 0.00 C ATOM 0 H TRP A 92 -15.645 16.025 -8.998 1.00 0.00 H new ATOM 0 HA TRP A 92 -16.355 18.211 -7.293 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -17.677 18.454 -9.595 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -18.664 17.170 -8.924 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -19.637 17.792 -6.275 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -20.655 20.024 -5.455 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -17.703 20.863 -9.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -20.606 22.716 -6.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -18.235 23.265 -9.786 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -19.664 24.179 -8.002 1.00 0.00 H new ATOM 1346 N SER A 93 -16.765 16.288 -5.794 1.00 0.00 N ATOM 1347 CA SER A 93 -17.087 15.222 -4.854 1.00 0.00 C ATOM 1348 C SER A 93 -17.098 15.746 -3.421 1.00 0.00 C ATOM 1349 O SER A 93 -16.326 16.630 -3.050 1.00 0.00 O ATOM 1350 CB SER A 93 -16.079 14.078 -4.982 1.00 0.00 C ATOM 1351 OG SER A 93 -14.889 14.364 -4.266 1.00 0.00 O ATOM 0 H SER A 93 -16.199 17.040 -5.401 1.00 0.00 H new ATOM 0 HA SER A 93 -18.083 14.849 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.521 13.156 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.844 13.912 -6.033 1.00 0.00 H new ATOM 0 HG SER A 93 -14.262 13.617 -4.362 1.00 0.00 H new ATOM 1357 N PRO A 94 -17.996 15.189 -2.595 1.00 0.00 N ATOM 1358 CA PRO A 94 -18.130 15.583 -1.189 1.00 0.00 C ATOM 1359 C PRO A 94 -16.937 15.145 -0.347 1.00 0.00 C ATOM 1360 O PRO A 94 -15.921 14.700 -0.880 1.00 0.00 O ATOM 1361 CB PRO A 94 -19.400 14.857 -0.737 1.00 0.00 C ATOM 1362 CG PRO A 94 -19.509 13.683 -1.647 1.00 0.00 C ATOM 1363 CD PRO A 94 -18.948 14.130 -2.969 1.00 0.00 C ATOM 0 HA PRO A 94 -18.177 16.666 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.328 14.545 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.275 15.502 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.952 12.832 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.546 13.365 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -18.454 13.312 -3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.729 14.506 -3.630 1.00 0.00 H new ATOM 1371 N GLN A 95 -17.068 15.274 0.969 1.00 0.00 N ATOM 1372 CA GLN A 95 -15.999 14.890 1.884 1.00 0.00 C ATOM 1373 C GLN A 95 -16.347 13.599 2.616 1.00 0.00 C ATOM 1374 O GLN A 95 -16.249 13.522 3.841 1.00 0.00 O ATOM 1375 CB GLN A 95 -15.739 16.009 2.894 1.00 0.00 C ATOM 1376 CG GLN A 95 -14.375 15.922 3.560 1.00 0.00 C ATOM 1377 CD GLN A 95 -13.267 16.498 2.700 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -12.925 15.944 1.655 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -12.700 17.617 3.135 1.00 0.00 N ATOM 0 H GLN A 95 -17.903 15.641 1.426 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.096 14.721 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -15.827 16.971 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -16.512 15.981 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.405 16.454 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.151 14.879 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.015 18.043 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.950 18.051 2.597 1.00 0.00 H new ATOM 1388 N VAL A 96 -16.753 12.585 1.858 1.00 0.00 N ATOM 1389 CA VAL A 96 -17.115 11.296 2.435 1.00 0.00 C ATOM 1390 C VAL A 96 -16.956 10.174 1.415 1.00 0.00 C ATOM 1391 O VAL A 96 -17.450 10.268 0.291 1.00 0.00 O ATOM 1392 CB VAL A 96 -18.564 11.300 2.955 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -18.903 9.966 3.603 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -18.775 12.446 3.933 1.00 0.00 C ATOM 0 H VAL A 96 -16.839 12.632 0.843 1.00 0.00 H new ATOM 0 HA VAL A 96 -16.438 11.122 3.271 1.00 0.00 H new ATOM 0 HB VAL A 96 -19.235 11.446 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.931 9.988 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.793 9.167 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -18.228 9.786 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -19.805 12.434 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -18.096 12.333 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -18.576 13.393 3.432 1.00 0.00 H new ATOM 1404 N SER A 97 -16.263 9.112 1.815 1.00 0.00 N ATOM 1405 CA SER A 97 -16.036 7.972 0.934 1.00 0.00 C ATOM 1406 C SER A 97 -16.553 6.684 1.569 1.00 0.00 C ATOM 1407 O SER A 97 -16.011 5.604 1.336 1.00 0.00 O ATOM 1408 CB SER A 97 -14.546 7.835 0.617 1.00 0.00 C ATOM 1409 OG SER A 97 -13.940 9.106 0.455 1.00 0.00 O ATOM 0 H SER A 97 -15.849 9.017 2.743 1.00 0.00 H new ATOM 0 HA SER A 97 -16.583 8.145 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.049 7.291 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.417 7.248 -0.293 1.00 0.00 H new ATOM 0 HG SER A 97 -12.988 8.991 0.255 1.00 0.00 H new ATOM 1415 N SER A 98 -17.605 6.808 2.372 1.00 0.00 N ATOM 1416 CA SER A 98 -18.194 5.656 3.043 1.00 0.00 C ATOM 1417 C SER A 98 -19.679 5.882 3.309 1.00 0.00 C ATOM 1418 O SER A 98 -20.173 7.005 3.220 1.00 0.00 O ATOM 1419 CB SER A 98 -17.465 5.379 4.360 1.00 0.00 C ATOM 1420 OG SER A 98 -18.025 4.261 5.028 1.00 0.00 O ATOM 0 H SER A 98 -18.067 7.695 2.573 1.00 0.00 H new ATOM 0 HA SER A 98 -18.088 4.792 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.408 5.197 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.523 6.257 5.003 1.00 0.00 H new ATOM 0 HG SER A 98 -17.541 4.104 5.865 1.00 0.00 H new ATOM 1426 N GLY A 99 -20.387 4.804 3.635 1.00 0.00 N ATOM 1427 CA GLY A 99 -21.808 4.905 3.908 1.00 0.00 C ATOM 1428 C GLY A 99 -22.332 3.722 4.697 1.00 0.00 C ATOM 1429 O GLY A 99 -21.621 3.122 5.503 1.00 0.00 O ATOM 0 H GLY A 99 -20.001 3.863 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -22.004 5.823 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -22.351 4.979 2.966 1.00 0.00 H new ATOM 1433 N PRO A 100 -23.607 3.371 4.469 1.00 0.00 N ATOM 1434 CA PRO A 100 -24.254 2.249 5.156 1.00 0.00 C ATOM 1435 C PRO A 100 -23.700 0.900 4.712 1.00 0.00 C ATOM 1436 O PRO A 100 -23.655 -0.050 5.493 1.00 0.00 O ATOM 1437 CB PRO A 100 -25.723 2.385 4.748 1.00 0.00 C ATOM 1438 CG PRO A 100 -25.691 3.109 3.447 1.00 0.00 C ATOM 1439 CD PRO A 100 -24.513 4.041 3.521 1.00 0.00 C ATOM 0 HA PRO A 100 -24.091 2.281 6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -26.197 1.409 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -26.291 2.939 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -25.586 2.412 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -26.616 3.662 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -24.046 4.176 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -24.805 5.030 3.874 1.00 0.00 H new ATOM 1447 N SER A 101 -23.279 0.823 3.454 1.00 0.00 N ATOM 1448 CA SER A 101 -22.731 -0.412 2.905 1.00 0.00 C ATOM 1449 C SER A 101 -21.716 -1.028 3.863 1.00 0.00 C ATOM 1450 O SER A 101 -21.786 -2.216 4.180 1.00 0.00 O ATOM 1451 CB SER A 101 -22.073 -0.145 1.550 1.00 0.00 C ATOM 1452 OG SER A 101 -21.138 0.916 1.637 1.00 0.00 O ATOM 0 H SER A 101 -23.307 1.601 2.795 1.00 0.00 H new ATOM 0 HA SER A 101 -23.552 -1.116 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.572 -1.048 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.838 0.100 0.813 1.00 0.00 H new ATOM 0 HG SER A 101 -20.730 1.066 0.758 1.00 0.00 H new ATOM 1458 N SER A 102 -20.772 -0.212 4.321 1.00 0.00 N ATOM 1459 CA SER A 102 -19.739 -0.676 5.240 1.00 0.00 C ATOM 1460 C SER A 102 -20.030 -0.211 6.664 1.00 0.00 C ATOM 1461 O SER A 102 -20.231 0.977 6.911 1.00 0.00 O ATOM 1462 CB SER A 102 -18.366 -0.169 4.796 1.00 0.00 C ATOM 1463 OG SER A 102 -17.327 -0.957 5.352 1.00 0.00 O ATOM 0 H SER A 102 -20.701 0.774 4.071 1.00 0.00 H new ATOM 0 HA SER A 102 -19.738 -1.766 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.301 -0.191 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.242 0.870 5.102 1.00 0.00 H new ATOM 0 HG SER A 102 -16.460 -0.614 5.052 1.00 0.00 H new ATOM 1469 N GLY A 103 -20.050 -1.158 7.597 1.00 0.00 N ATOM 1470 CA GLY A 103 -20.316 -0.826 8.984 1.00 0.00 C ATOM 1471 C GLY A 103 -21.021 -1.947 9.723 1.00 0.00 C ATOM 1472 O GLY A 103 -20.615 -3.106 9.640 1.00 0.00 O ATOM 0 H GLY A 103 -19.887 -2.149 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -19.376 -0.598 9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.928 0.075 9.028 1.00 0.00 H new TER 1476 GLY A 103