USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-0.093) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.00799 K(o=-0.44,f=-1.1) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.445 K(o=-0.44,f=-1.1!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.129 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 6:sc= 0.652 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.387 K(o=-0.39,f=0.27) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 62:sc= 0.124 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 110:sc= -1.02 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.31 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -113:sc= -7.92! (180deg=-11.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -100:sc= -1.68 (180deg=-3.97!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 148:sc= 0.436 USER MOD Single : A 85 TYR OH : rot -62:sc= 0.806 USER MOD Single : A 86 TYR OH : rot -22:sc= -3.29 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.79) USER MOD Single : A 95 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.42) USER MOD Single : A 97 GLN : amide:sc=-0.00987 X(o=-0.0099,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1) USER MOD Single : A 108 SER OG : rot 27:sc= 0.362 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.334 -2.955 9.018 1.00 0.00 N ATOM 2 CA GLY A 1 -22.172 -2.085 8.210 1.00 0.00 C ATOM 3 C GLY A 1 -21.515 -1.790 6.861 1.00 0.00 C ATOM 4 O GLY A 1 -20.419 -2.274 6.580 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.850 -3.831 9.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.466 -3.185 8.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.085 -2.472 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.143 -2.554 8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.353 -1.151 8.742 1.00 0.00 H new ATOM 8 N SER A 2 -22.211 -0.995 6.061 1.00 0.00 N ATOM 9 CA SER A 2 -21.709 -0.629 4.747 1.00 0.00 C ATOM 10 C SER A 2 -21.690 0.893 4.600 1.00 0.00 C ATOM 11 O SER A 2 -22.596 1.577 5.075 1.00 0.00 O ATOM 12 CB SER A 2 -22.554 -1.260 3.639 1.00 0.00 C ATOM 13 OG SER A 2 -21.975 -2.465 3.146 1.00 0.00 O ATOM 0 H SER A 2 -23.119 -0.594 6.298 1.00 0.00 H new ATOM 0 HA SER A 2 -20.692 -1.009 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.554 -1.468 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.666 -0.550 2.820 1.00 0.00 H new ATOM 0 HG SER A 2 -22.545 -2.838 2.441 1.00 0.00 H new ATOM 19 N SER A 3 -20.650 1.379 3.940 1.00 0.00 N ATOM 20 CA SER A 3 -20.502 2.809 3.723 1.00 0.00 C ATOM 21 C SER A 3 -20.352 3.528 5.065 1.00 0.00 C ATOM 22 O SER A 3 -20.892 3.082 6.076 1.00 0.00 O ATOM 23 CB SER A 3 -21.693 3.375 2.947 1.00 0.00 C ATOM 24 OG SER A 3 -21.514 3.262 1.538 1.00 0.00 O ATOM 0 H SER A 3 -19.901 0.808 3.548 1.00 0.00 H new ATOM 0 HA SER A 3 -19.604 2.974 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.601 2.848 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.833 4.423 3.212 1.00 0.00 H new ATOM 0 HG SER A 3 -22.296 3.633 1.078 1.00 0.00 H new ATOM 30 N GLY A 4 -19.617 4.630 5.032 1.00 0.00 N ATOM 31 CA GLY A 4 -19.390 5.415 6.233 1.00 0.00 C ATOM 32 C GLY A 4 -18.251 6.416 6.026 1.00 0.00 C ATOM 33 O GLY A 4 -17.079 6.045 6.066 1.00 0.00 O ATOM 0 H GLY A 4 -19.171 4.998 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.302 5.947 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.150 4.753 7.065 1.00 0.00 H new ATOM 37 N SER A 5 -18.636 7.665 5.810 1.00 0.00 N ATOM 38 CA SER A 5 -17.662 8.722 5.597 1.00 0.00 C ATOM 39 C SER A 5 -17.785 9.777 6.699 1.00 0.00 C ATOM 40 O SER A 5 -18.881 10.038 7.193 1.00 0.00 O ATOM 41 CB SER A 5 -17.842 9.368 4.222 1.00 0.00 C ATOM 42 OG SER A 5 -16.893 10.405 3.991 1.00 0.00 O ATOM 0 H SER A 5 -19.609 7.969 5.778 1.00 0.00 H new ATOM 0 HA SER A 5 -16.666 8.281 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.743 8.607 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.850 9.775 4.142 1.00 0.00 H new ATOM 0 HG SER A 5 -17.040 10.791 3.102 1.00 0.00 H new ATOM 48 N SER A 6 -16.646 10.354 7.051 1.00 0.00 N ATOM 49 CA SER A 6 -16.612 11.374 8.086 1.00 0.00 C ATOM 50 C SER A 6 -15.405 12.291 7.877 1.00 0.00 C ATOM 51 O SER A 6 -14.276 11.917 8.190 1.00 0.00 O ATOM 52 CB SER A 6 -16.565 10.744 9.479 1.00 0.00 C ATOM 53 OG SER A 6 -17.333 11.483 10.425 1.00 0.00 O ATOM 0 H SER A 6 -15.739 10.135 6.638 1.00 0.00 H new ATOM 0 HA SER A 6 -17.526 11.964 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.939 9.722 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.530 10.688 9.817 1.00 0.00 H new ATOM 0 HG SER A 6 -17.279 11.048 11.301 1.00 0.00 H new ATOM 59 N GLY A 7 -15.686 13.474 7.350 1.00 0.00 N ATOM 60 CA GLY A 7 -14.637 14.447 7.096 1.00 0.00 C ATOM 61 C GLY A 7 -13.387 13.771 6.529 1.00 0.00 C ATOM 62 O GLY A 7 -12.446 13.480 7.266 1.00 0.00 O ATOM 0 H GLY A 7 -16.624 13.780 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.997 15.200 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.386 14.966 8.021 1.00 0.00 H new ATOM 66 N PRO A 8 -13.419 13.535 5.190 1.00 0.00 N ATOM 67 CA PRO A 8 -12.300 12.899 4.516 1.00 0.00 C ATOM 68 C PRO A 8 -11.132 13.874 4.351 1.00 0.00 C ATOM 69 O PRO A 8 -11.340 15.057 4.087 1.00 0.00 O ATOM 70 CB PRO A 8 -12.862 12.417 3.189 1.00 0.00 C ATOM 71 CG PRO A 8 -14.144 13.204 2.969 1.00 0.00 C ATOM 72 CD PRO A 8 -14.516 13.866 4.286 1.00 0.00 C ATOM 0 HA PRO A 8 -11.886 12.066 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.154 12.590 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.061 11.346 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.003 13.954 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.944 12.544 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.622 14.945 4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.467 13.490 4.663 1.00 0.00 H new ATOM 80 N PHE A 9 -9.930 13.341 4.515 1.00 0.00 N ATOM 81 CA PHE A 9 -8.730 14.150 4.388 1.00 0.00 C ATOM 82 C PHE A 9 -8.175 14.088 2.963 1.00 0.00 C ATOM 83 O PHE A 9 -8.657 13.312 2.139 1.00 0.00 O ATOM 84 CB PHE A 9 -7.694 13.566 5.351 1.00 0.00 C ATOM 85 CG PHE A 9 -6.986 14.614 6.213 1.00 0.00 C ATOM 86 CD1 PHE A 9 -7.694 15.645 6.748 1.00 0.00 C ATOM 87 CD2 PHE A 9 -5.650 14.514 6.445 1.00 0.00 C ATOM 88 CE1 PHE A 9 -7.038 16.617 7.548 1.00 0.00 C ATOM 89 CE2 PHE A 9 -4.994 15.486 7.246 1.00 0.00 C ATOM 90 CZ PHE A 9 -5.701 16.517 7.780 1.00 0.00 C ATOM 0 H PHE A 9 -9.762 12.359 4.735 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.957 15.191 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.186 12.845 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.947 13.018 4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.755 15.724 6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.088 13.696 6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.600 17.436 7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.933 15.406 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.202 17.257 8.388 1.00 0.00 H new ATOM 100 N CYS A 10 -7.171 14.916 2.717 1.00 0.00 N ATOM 101 CA CYS A 10 -6.546 14.966 1.406 1.00 0.00 C ATOM 102 C CYS A 10 -5.065 15.299 1.592 1.00 0.00 C ATOM 103 O CYS A 10 -4.653 15.737 2.666 1.00 0.00 O ATOM 104 CB CYS A 10 -7.245 15.968 0.484 1.00 0.00 C ATOM 105 SG CYS A 10 -8.899 15.340 0.017 1.00 0.00 S ATOM 0 H CYS A 10 -6.774 15.558 3.403 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.641 13.996 0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.341 16.931 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.644 16.133 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 10 -9.151 14.249 0.677 1.00 0.00 H new ATOM 111 N ALA A 11 -4.303 15.079 0.530 1.00 0.00 N ATOM 112 CA ALA A 11 -2.876 15.350 0.563 1.00 0.00 C ATOM 113 C ALA A 11 -2.651 16.853 0.744 1.00 0.00 C ATOM 114 O ALA A 11 -3.607 17.625 0.797 1.00 0.00 O ATOM 115 CB ALA A 11 -2.225 14.813 -0.712 1.00 0.00 C ATOM 0 H ALA A 11 -4.648 14.716 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.408 14.842 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.154 15.016 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.389 13.737 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.667 15.302 -1.580 1.00 0.00 H new ATOM 121 N MET A 12 -1.382 17.222 0.834 1.00 0.00 N ATOM 122 CA MET A 12 -1.019 18.618 1.008 1.00 0.00 C ATOM 123 C MET A 12 -0.299 19.156 -0.230 1.00 0.00 C ATOM 124 O MET A 12 -0.731 20.143 -0.824 1.00 0.00 O ATOM 125 CB MET A 12 -0.110 18.761 2.230 1.00 0.00 C ATOM 126 CG MET A 12 -0.826 19.498 3.364 1.00 0.00 C ATOM 127 SD MET A 12 0.183 20.850 3.947 1.00 0.00 S ATOM 128 CE MET A 12 -0.946 22.210 3.696 1.00 0.00 C ATOM 0 H MET A 12 -0.592 16.578 0.790 1.00 0.00 H new ATOM 0 HA MET A 12 -1.932 19.196 1.154 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.202 17.774 2.573 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.794 19.303 1.953 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.787 19.875 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.033 18.809 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.472 23.139 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.207 22.276 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.849 22.046 4.284 1.00 0.00 H new ATOM 138 N GLU A 13 0.786 18.484 -0.583 1.00 0.00 N ATOM 139 CA GLU A 13 1.571 18.882 -1.739 1.00 0.00 C ATOM 140 C GLU A 13 2.766 17.944 -1.918 1.00 0.00 C ATOM 141 O GLU A 13 3.859 18.226 -1.429 1.00 0.00 O ATOM 142 CB GLU A 13 2.028 20.336 -1.617 1.00 0.00 C ATOM 143 CG GLU A 13 1.973 21.044 -2.973 1.00 0.00 C ATOM 144 CD GLU A 13 3.186 21.957 -3.164 1.00 0.00 C ATOM 145 OE1 GLU A 13 3.538 22.646 -2.182 1.00 0.00 O ATOM 146 OE2 GLU A 13 3.734 21.945 -4.288 1.00 0.00 O ATOM 0 H GLU A 13 1.141 17.665 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 13 0.940 18.807 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.394 20.861 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.045 20.370 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.941 20.304 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.057 21.630 -3.044 1.00 0.00 H new ATOM 153 N ASN A 14 2.518 16.848 -2.620 1.00 0.00 N ATOM 154 CA ASN A 14 3.561 15.867 -2.869 1.00 0.00 C ATOM 155 C ASN A 14 2.956 14.656 -3.582 1.00 0.00 C ATOM 156 O ASN A 14 1.746 14.442 -3.531 1.00 0.00 O ATOM 157 CB ASN A 14 4.186 15.382 -1.560 1.00 0.00 C ATOM 158 CG ASN A 14 5.656 15.795 -1.468 1.00 0.00 C ATOM 159 OD1 ASN A 14 6.006 16.823 -0.913 1.00 0.00 O ATOM 160 ND2 ASN A 14 6.495 14.937 -2.041 1.00 0.00 N ATOM 0 H ASN A 14 1.610 16.618 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 14 4.329 16.340 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.635 15.795 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.105 14.297 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.498 15.122 -2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.135 14.094 -2.489 1.00 0.00 H new ATOM 167 N GLN A 15 3.826 13.895 -4.230 1.00 0.00 N ATOM 168 CA GLN A 15 3.393 12.711 -4.952 1.00 0.00 C ATOM 169 C GLN A 15 2.395 11.913 -4.111 1.00 0.00 C ATOM 170 O GLN A 15 2.303 12.106 -2.900 1.00 0.00 O ATOM 171 CB GLN A 15 4.588 11.845 -5.353 1.00 0.00 C ATOM 172 CG GLN A 15 5.109 12.236 -6.737 1.00 0.00 C ATOM 173 CD GLN A 15 6.266 11.330 -7.164 1.00 0.00 C ATOM 174 OE1 GLN A 15 7.431 11.676 -7.057 1.00 0.00 O ATOM 175 NE2 GLN A 15 5.881 10.155 -7.652 1.00 0.00 N ATOM 0 H GLN A 15 4.829 14.076 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 15 2.895 13.030 -5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.384 11.954 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.296 10.795 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.301 12.168 -7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.441 13.274 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.888 9.929 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.578 9.479 -7.965 1.00 0.00 H new ATOM 184 N VAL A 16 1.671 11.032 -4.787 1.00 0.00 N ATOM 185 CA VAL A 16 0.684 10.203 -4.117 1.00 0.00 C ATOM 186 C VAL A 16 1.074 8.731 -4.265 1.00 0.00 C ATOM 187 O VAL A 16 1.852 8.378 -5.149 1.00 0.00 O ATOM 188 CB VAL A 16 -0.713 10.509 -4.663 1.00 0.00 C ATOM 189 CG1 VAL A 16 -1.057 11.989 -4.489 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.833 10.086 -6.128 1.00 0.00 C ATOM 0 H VAL A 16 1.749 10.875 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 16 0.659 10.426 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.433 9.928 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.054 12.180 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.032 12.246 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.330 12.597 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.835 10.314 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.098 10.627 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.651 9.015 -6.213 1.00 0.00 H new ATOM 200 N LEU A 17 0.517 7.913 -3.385 1.00 0.00 N ATOM 201 CA LEU A 17 0.797 6.487 -3.406 1.00 0.00 C ATOM 202 C LEU A 17 -0.284 5.771 -4.219 1.00 0.00 C ATOM 203 O LEU A 17 -1.446 6.174 -4.203 1.00 0.00 O ATOM 204 CB LEU A 17 0.952 5.950 -1.982 1.00 0.00 C ATOM 205 CG LEU A 17 0.820 4.435 -1.818 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.183 3.750 -1.936 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.114 4.084 -0.507 1.00 0.00 C ATOM 0 H LEU A 17 -0.127 8.210 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 17 1.749 6.293 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.929 6.252 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.204 6.430 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 17 0.198 4.057 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.061 2.674 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.612 3.959 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.849 4.129 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.033 3.001 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.688 4.477 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.883 4.524 -0.502 1.00 0.00 H new ATOM 219 N VAL A 18 0.138 4.723 -4.910 1.00 0.00 N ATOM 220 CA VAL A 18 -0.779 3.947 -5.727 1.00 0.00 C ATOM 221 C VAL A 18 -0.624 2.463 -5.391 1.00 0.00 C ATOM 222 O VAL A 18 0.385 1.847 -5.732 1.00 0.00 O ATOM 223 CB VAL A 18 -0.546 4.252 -7.208 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.456 3.399 -8.094 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.739 5.742 -7.498 1.00 0.00 C ATOM 0 H VAL A 18 1.103 4.393 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.811 4.223 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 18 0.487 3.996 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.270 3.636 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.249 2.343 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.498 3.609 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.568 5.932 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.756 6.035 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.031 6.322 -6.906 1.00 0.00 H new ATOM 235 N ILE A 19 -1.639 1.930 -4.727 1.00 0.00 N ATOM 236 CA ILE A 19 -1.629 0.529 -4.341 1.00 0.00 C ATOM 237 C ILE A 19 -2.392 -0.289 -5.385 1.00 0.00 C ATOM 238 O ILE A 19 -3.593 -0.101 -5.569 1.00 0.00 O ATOM 239 CB ILE A 19 -2.164 0.362 -2.917 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.288 1.110 -1.911 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.313 -1.118 -2.558 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.969 1.189 -0.543 1.00 0.00 C ATOM 0 H ILE A 19 -2.474 2.443 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.608 0.147 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.158 0.807 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.327 0.605 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.084 2.116 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.695 -1.209 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.008 -1.592 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.342 -1.609 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.325 1.726 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.918 1.716 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.150 0.182 -0.168 1.00 0.00 H new ATOM 254 N ARG A 20 -1.662 -1.179 -6.042 1.00 0.00 N ATOM 255 CA ARG A 20 -2.255 -2.026 -7.062 1.00 0.00 C ATOM 256 C ARG A 20 -2.620 -3.390 -6.473 1.00 0.00 C ATOM 257 O ARG A 20 -1.780 -4.285 -6.403 1.00 0.00 O ATOM 258 CB ARG A 20 -1.296 -2.226 -8.238 1.00 0.00 C ATOM 259 CG ARG A 20 -1.781 -3.349 -9.156 1.00 0.00 C ATOM 260 CD ARG A 20 -0.719 -3.701 -10.200 1.00 0.00 C ATOM 261 NE ARG A 20 -1.127 -4.911 -10.948 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.272 -5.729 -11.577 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.043 -5.471 -11.553 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.731 -6.804 -12.232 1.00 0.00 N ATOM 0 H ARG A 20 -0.665 -1.331 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.156 -1.529 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.212 -1.299 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.300 -2.462 -7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.019 -4.232 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.700 -3.044 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.583 -2.867 -10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.241 -3.871 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.121 -5.136 -10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.393 -4.652 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.694 -6.094 -12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.732 -7.000 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.080 -7.426 -12.711 1.00 0.00 H new ATOM 278 N ILE A 21 -3.876 -3.506 -6.066 1.00 0.00 N ATOM 279 CA ILE A 21 -4.363 -4.745 -5.485 1.00 0.00 C ATOM 280 C ILE A 21 -4.545 -5.785 -6.593 1.00 0.00 C ATOM 281 O ILE A 21 -5.360 -5.599 -7.496 1.00 0.00 O ATOM 282 CB ILE A 21 -5.629 -4.492 -4.665 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.291 -3.848 -3.319 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.441 -5.778 -4.498 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.848 -2.426 -3.236 1.00 0.00 C ATOM 0 H ILE A 21 -4.571 -2.762 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.633 -5.149 -4.783 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.254 -3.786 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.702 -4.451 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.210 -3.827 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.336 -5.570 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.730 -6.156 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.837 -6.526 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.594 -1.991 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.416 -1.819 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.932 -2.453 -3.348 1.00 0.00 H new ATOM 297 N LYS A 22 -3.774 -6.857 -6.488 1.00 0.00 N ATOM 298 CA LYS A 22 -3.840 -7.926 -7.469 1.00 0.00 C ATOM 299 C LYS A 22 -5.209 -8.604 -7.387 1.00 0.00 C ATOM 300 O LYS A 22 -5.509 -9.288 -6.410 1.00 0.00 O ATOM 301 CB LYS A 22 -2.665 -8.890 -7.292 1.00 0.00 C ATOM 302 CG LYS A 22 -2.876 -10.168 -8.107 1.00 0.00 C ATOM 303 CD LYS A 22 -2.769 -9.885 -9.607 1.00 0.00 C ATOM 304 CE LYS A 22 -1.498 -10.504 -10.192 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.840 -11.535 -11.197 1.00 0.00 N ATOM 0 H LYS A 22 -3.100 -7.008 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.743 -7.524 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.741 -8.404 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.552 -9.142 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.134 -10.913 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.855 -10.590 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.643 -10.287 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.766 -8.809 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.887 -9.728 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.902 -10.948 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.966 -11.945 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.405 -12.284 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.389 -11.101 -11.966 1.00 0.00 H new ATOM 319 N ILE A 23 -6.003 -8.390 -8.426 1.00 0.00 N ATOM 320 CA ILE A 23 -7.333 -8.972 -8.483 1.00 0.00 C ATOM 321 C ILE A 23 -7.243 -10.385 -9.063 1.00 0.00 C ATOM 322 O ILE A 23 -6.465 -10.634 -9.982 1.00 0.00 O ATOM 323 CB ILE A 23 -8.287 -8.053 -9.250 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.190 -6.614 -8.739 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.721 -8.584 -9.197 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.292 -6.318 -7.719 1.00 0.00 C ATOM 0 H ILE A 23 -5.751 -7.822 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.751 -9.064 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.985 -8.045 -10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.214 -6.452 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.269 -5.921 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.378 -7.913 -9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.758 -9.577 -9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.050 -8.641 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.200 -5.289 -7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.267 -6.458 -8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.195 -6.997 -6.871 1.00 0.00 H new ATOM 338 N PRO A 24 -8.071 -11.297 -8.486 1.00 0.00 N ATOM 339 CA PRO A 24 -8.091 -12.678 -8.935 1.00 0.00 C ATOM 340 C PRO A 24 -8.823 -12.809 -10.273 1.00 0.00 C ATOM 341 O PRO A 24 -10.034 -12.609 -10.344 1.00 0.00 O ATOM 342 CB PRO A 24 -8.766 -13.447 -7.811 1.00 0.00 C ATOM 343 CG PRO A 24 -9.512 -12.411 -6.987 1.00 0.00 C ATOM 344 CD PRO A 24 -9.005 -11.037 -7.395 1.00 0.00 C ATOM 0 HA PRO A 24 -7.093 -13.073 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.450 -14.197 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.031 -13.975 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.586 -12.488 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.346 -12.578 -5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.823 -10.393 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.512 -10.533 -6.563 1.00 0.00 H new ATOM 352 N ASN A 25 -8.056 -13.144 -11.300 1.00 0.00 N ATOM 353 CA ASN A 25 -8.616 -13.304 -12.631 1.00 0.00 C ATOM 354 C ASN A 25 -9.501 -12.099 -12.955 1.00 0.00 C ATOM 355 O ASN A 25 -10.687 -12.256 -13.243 1.00 0.00 O ATOM 356 CB ASN A 25 -9.480 -14.563 -12.717 1.00 0.00 C ATOM 357 CG ASN A 25 -9.654 -15.011 -14.170 1.00 0.00 C ATOM 358 OD1 ASN A 25 -10.693 -14.828 -14.783 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.582 -15.605 -14.685 1.00 0.00 N ATOM 0 H ASN A 25 -7.051 -13.309 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.790 -13.385 -13.337 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.020 -15.364 -12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.456 -14.369 -12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.598 -15.939 -15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.744 -15.727 -14.117 1.00 0.00 H new ATOM 366 N SER A 26 -8.892 -10.925 -12.897 1.00 0.00 N ATOM 367 CA SER A 26 -9.610 -9.694 -13.181 1.00 0.00 C ATOM 368 C SER A 26 -8.664 -8.497 -13.065 1.00 0.00 C ATOM 369 O SER A 26 -8.982 -7.513 -12.399 1.00 0.00 O ATOM 370 CB SER A 26 -10.802 -9.522 -12.238 1.00 0.00 C ATOM 371 OG SER A 26 -12.046 -9.665 -12.918 1.00 0.00 O ATOM 0 H SER A 26 -7.909 -10.799 -12.657 1.00 0.00 H new ATOM 0 HA SER A 26 -9.992 -9.749 -14.200 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.740 -10.259 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.755 -8.538 -11.771 1.00 0.00 H new ATOM 0 HG SER A 26 -12.115 -10.570 -13.287 1.00 0.00 H new ATOM 377 N GLY A 27 -7.521 -8.621 -13.722 1.00 0.00 N ATOM 378 CA GLY A 27 -6.527 -7.561 -13.701 1.00 0.00 C ATOM 379 C GLY A 27 -6.217 -7.129 -12.266 1.00 0.00 C ATOM 380 O GLY A 27 -6.036 -7.969 -11.386 1.00 0.00 O ATOM 0 H GLY A 27 -7.260 -9.439 -14.272 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.614 -7.904 -14.187 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.890 -6.706 -14.272 1.00 0.00 H new ATOM 384 N ALA A 28 -6.167 -5.819 -12.074 1.00 0.00 N ATOM 385 CA ALA A 28 -5.882 -5.265 -10.762 1.00 0.00 C ATOM 386 C ALA A 28 -6.575 -3.908 -10.625 1.00 0.00 C ATOM 387 O ALA A 28 -7.137 -3.394 -11.590 1.00 0.00 O ATOM 388 CB ALA A 28 -4.368 -5.169 -10.565 1.00 0.00 C ATOM 0 H ALA A 28 -6.319 -5.125 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.271 -5.915 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.155 -4.753 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.927 -6.163 -10.642 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.942 -4.522 -11.332 1.00 0.00 H new ATOM 394 N VAL A 29 -6.511 -3.366 -9.417 1.00 0.00 N ATOM 395 CA VAL A 29 -7.126 -2.078 -9.141 1.00 0.00 C ATOM 396 C VAL A 29 -6.146 -1.210 -8.350 1.00 0.00 C ATOM 397 O VAL A 29 -5.713 -1.589 -7.262 1.00 0.00 O ATOM 398 CB VAL A 29 -8.461 -2.279 -8.423 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.835 -1.041 -7.605 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.570 -2.635 -9.416 1.00 0.00 C ATOM 0 H VAL A 29 -6.043 -3.795 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.348 -1.553 -10.070 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.348 -3.115 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.788 -1.210 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.063 -0.850 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.921 -0.180 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.509 -2.773 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.681 -1.829 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.311 -3.557 -9.936 1.00 0.00 H new ATOM 410 N ASP A 30 -5.824 -0.061 -8.926 1.00 0.00 N ATOM 411 CA ASP A 30 -4.903 0.864 -8.288 1.00 0.00 C ATOM 412 C ASP A 30 -5.680 1.775 -7.336 1.00 0.00 C ATOM 413 O ASP A 30 -6.431 2.644 -7.777 1.00 0.00 O ATOM 414 CB ASP A 30 -4.205 1.748 -9.324 1.00 0.00 C ATOM 415 CG ASP A 30 -3.025 1.093 -10.043 1.00 0.00 C ATOM 416 OD1 ASP A 30 -2.913 -0.148 -9.936 1.00 0.00 O ATOM 417 OD2 ASP A 30 -2.262 1.846 -10.685 1.00 0.00 O ATOM 0 H ASP A 30 -6.185 0.250 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.156 0.280 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.938 2.057 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.852 2.653 -8.829 1.00 0.00 H new ATOM 422 N TRP A 31 -5.474 1.545 -6.048 1.00 0.00 N ATOM 423 CA TRP A 31 -6.146 2.334 -5.029 1.00 0.00 C ATOM 424 C TRP A 31 -5.412 3.670 -4.906 1.00 0.00 C ATOM 425 O TRP A 31 -4.320 3.733 -4.343 1.00 0.00 O ATOM 426 CB TRP A 31 -6.223 1.570 -3.706 1.00 0.00 C ATOM 427 CG TRP A 31 -6.569 2.446 -2.501 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.278 3.584 -2.484 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.191 2.209 -1.128 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.383 4.095 -1.206 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.702 3.232 -0.356 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.443 1.164 -0.558 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.519 3.311 1.030 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.269 1.257 0.828 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.776 2.281 1.620 1.00 0.00 C ATOM 0 H TRP A 31 -4.851 0.823 -5.686 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.180 2.530 -5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.971 0.782 -3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.266 1.081 -3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.712 4.043 -3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.871 4.949 -0.935 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.035 0.353 -1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.929 4.123 1.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.701 0.479 1.316 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.598 2.282 2.685 1.00 0.00 H new ATOM 446 N THR A 32 -6.041 4.706 -5.441 1.00 0.00 N ATOM 447 CA THR A 32 -5.461 6.038 -5.398 1.00 0.00 C ATOM 448 C THR A 32 -5.321 6.512 -3.950 1.00 0.00 C ATOM 449 O THR A 32 -6.311 6.865 -3.310 1.00 0.00 O ATOM 450 CB THR A 32 -6.329 6.960 -6.257 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.890 8.271 -5.912 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.800 6.936 -5.840 1.00 0.00 C ATOM 0 H THR A 32 -6.947 4.650 -5.907 1.00 0.00 H new ATOM 0 HA THR A 32 -4.451 6.043 -5.808 1.00 0.00 H new ATOM 0 HB THR A 32 -6.245 6.667 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.400 8.932 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.371 7.607 -6.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.189 5.923 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.890 7.261 -4.803 1.00 0.00 H new ATOM 460 N VAL A 33 -4.084 6.505 -3.475 1.00 0.00 N ATOM 461 CA VAL A 33 -3.802 6.930 -2.115 1.00 0.00 C ATOM 462 C VAL A 33 -2.948 8.199 -2.148 1.00 0.00 C ATOM 463 O VAL A 33 -1.887 8.221 -2.770 1.00 0.00 O ATOM 464 CB VAL A 33 -3.146 5.788 -1.336 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.677 6.263 0.041 1.00 0.00 C ATOM 466 CG2 VAL A 33 -4.094 4.594 -1.210 1.00 0.00 C ATOM 0 H VAL A 33 -3.266 6.211 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.726 7.174 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.269 5.462 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.214 5.432 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.950 7.067 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.532 6.629 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.603 3.797 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.998 4.901 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.358 4.232 -2.204 1.00 0.00 H new ATOM 476 N HIS A 34 -3.443 9.224 -1.471 1.00 0.00 N ATOM 477 CA HIS A 34 -2.738 10.494 -1.415 1.00 0.00 C ATOM 478 C HIS A 34 -1.860 10.539 -0.163 1.00 0.00 C ATOM 479 O HIS A 34 -0.735 11.034 -0.207 1.00 0.00 O ATOM 480 CB HIS A 34 -3.721 11.664 -1.493 1.00 0.00 C ATOM 481 CG HIS A 34 -4.616 11.635 -2.708 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.754 12.713 -3.564 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.417 10.647 -3.201 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.602 12.378 -4.526 1.00 0.00 C ATOM 485 NE2 HIS A 34 -6.012 11.097 -4.299 1.00 0.00 N ATOM 0 H HIS A 34 -4.323 9.202 -0.957 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.081 10.588 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.342 11.664 -0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.159 12.598 -1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.545 9.665 -2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.914 13.009 -5.346 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.668 10.572 -4.877 1.00 0.00 H new ATOM 493 N SER A 35 -2.408 10.016 0.924 1.00 0.00 N ATOM 494 CA SER A 35 -1.688 9.990 2.186 1.00 0.00 C ATOM 495 C SER A 35 -0.913 8.678 2.320 1.00 0.00 C ATOM 496 O SER A 35 -1.304 7.797 3.085 1.00 0.00 O ATOM 497 CB SER A 35 -2.643 10.165 3.368 1.00 0.00 C ATOM 498 OG SER A 35 -3.196 11.478 3.418 1.00 0.00 O ATOM 0 H SER A 35 -3.342 9.607 0.957 1.00 0.00 H new ATOM 0 HA SER A 35 -0.984 10.822 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.449 9.435 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.111 9.960 4.297 1.00 0.00 H new ATOM 0 HG SER A 35 -3.801 11.549 4.185 1.00 0.00 H new ATOM 504 N GLY A 36 0.172 8.588 1.564 1.00 0.00 N ATOM 505 CA GLY A 36 1.005 7.398 1.589 1.00 0.00 C ATOM 506 C GLY A 36 1.452 7.072 3.015 1.00 0.00 C ATOM 507 O GLY A 36 1.333 5.932 3.462 1.00 0.00 O ATOM 0 H GLY A 36 0.493 9.320 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.453 6.554 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.879 7.548 0.955 1.00 0.00 H new ATOM 511 N PRO A 37 1.972 8.120 3.709 1.00 0.00 N ATOM 512 CA PRO A 37 2.438 7.956 5.075 1.00 0.00 C ATOM 513 C PRO A 37 1.261 7.852 6.047 1.00 0.00 C ATOM 514 O PRO A 37 1.261 7.005 6.940 1.00 0.00 O ATOM 515 CB PRO A 37 3.320 9.166 5.338 1.00 0.00 C ATOM 516 CG PRO A 37 2.945 10.192 4.281 1.00 0.00 C ATOM 517 CD PRO A 37 2.129 9.484 3.212 1.00 0.00 C ATOM 0 HA PRO A 37 2.998 7.032 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.154 9.560 6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.375 8.902 5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.369 11.004 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.840 10.636 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.162 9.966 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.640 9.498 2.249 1.00 0.00 H new ATOM 525 N GLN A 38 0.285 8.724 5.841 1.00 0.00 N ATOM 526 CA GLN A 38 -0.896 8.741 6.687 1.00 0.00 C ATOM 527 C GLN A 38 -1.850 7.613 6.289 1.00 0.00 C ATOM 528 O GLN A 38 -3.023 7.858 6.012 1.00 0.00 O ATOM 529 CB GLN A 38 -1.596 10.100 6.625 1.00 0.00 C ATOM 530 CG GLN A 38 -1.672 10.741 8.012 1.00 0.00 C ATOM 531 CD GLN A 38 -0.866 12.040 8.061 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.369 13.123 7.808 1.00 0.00 O ATOM 533 NE2 GLN A 38 0.409 11.873 8.400 1.00 0.00 N ATOM 0 H GLN A 38 0.288 9.425 5.100 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.583 8.578 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.058 10.760 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.601 9.977 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.712 10.945 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.292 10.045 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.766 10.938 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.030 12.680 8.461 1.00 0.00 H new ATOM 542 N LEU A 39 -1.312 6.403 6.274 1.00 0.00 N ATOM 543 CA LEU A 39 -2.101 5.237 5.914 1.00 0.00 C ATOM 544 C LEU A 39 -1.975 4.182 7.015 1.00 0.00 C ATOM 545 O LEU A 39 -0.893 3.980 7.565 1.00 0.00 O ATOM 546 CB LEU A 39 -1.705 4.729 4.527 1.00 0.00 C ATOM 547 CG LEU A 39 -2.589 3.627 3.939 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.970 4.170 3.568 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.902 2.949 2.751 1.00 0.00 C ATOM 0 H LEU A 39 -0.339 6.204 6.505 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.157 5.499 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.706 5.574 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.681 4.359 4.576 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.738 2.865 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.578 3.366 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.456 4.569 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.862 4.963 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.551 2.170 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.703 3.688 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.962 2.505 3.079 1.00 0.00 H new ATOM 561 N LEU A 40 -3.095 3.535 7.302 1.00 0.00 N ATOM 562 CA LEU A 40 -3.123 2.506 8.327 1.00 0.00 C ATOM 563 C LEU A 40 -3.494 1.166 7.688 1.00 0.00 C ATOM 564 O LEU A 40 -4.051 1.131 6.591 1.00 0.00 O ATOM 565 CB LEU A 40 -4.048 2.917 9.475 1.00 0.00 C ATOM 566 CG LEU A 40 -3.606 4.135 10.288 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.749 4.653 11.164 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.352 3.823 11.107 1.00 0.00 C ATOM 0 H LEU A 40 -3.990 3.704 6.842 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.135 2.385 8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.037 3.119 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.151 2.070 10.153 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.345 4.933 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.409 5.519 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.590 4.941 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.064 3.869 11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.060 4.706 11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.561 3.002 11.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.541 3.538 10.437 1.00 0.00 H new ATOM 580 N PHE A 41 -3.172 0.097 8.401 1.00 0.00 N ATOM 581 CA PHE A 41 -3.465 -1.241 7.917 1.00 0.00 C ATOM 582 C PHE A 41 -4.963 -1.417 7.662 1.00 0.00 C ATOM 583 O PHE A 41 -5.362 -1.970 6.638 1.00 0.00 O ATOM 584 CB PHE A 41 -3.028 -2.218 9.010 1.00 0.00 C ATOM 585 CG PHE A 41 -3.262 -3.689 8.661 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.702 -4.220 7.542 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.032 -4.466 9.470 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.919 -5.585 7.217 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.250 -5.831 9.146 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.689 -6.362 8.026 1.00 0.00 C ATOM 0 H PHE A 41 -2.711 0.130 9.310 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.941 -1.419 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.968 -2.068 9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.566 -1.983 9.929 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.091 -3.603 6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.478 -4.044 10.359 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.473 -6.006 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.861 -6.448 9.788 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.855 -7.400 7.779 1.00 0.00 H new ATOM 600 N ARG A 42 -5.752 -0.935 8.611 1.00 0.00 N ATOM 601 CA ARG A 42 -7.198 -1.032 8.502 1.00 0.00 C ATOM 602 C ARG A 42 -7.682 -0.337 7.227 1.00 0.00 C ATOM 603 O ARG A 42 -8.458 -0.908 6.462 1.00 0.00 O ATOM 604 CB ARG A 42 -7.885 -0.397 9.713 1.00 0.00 C ATOM 605 CG ARG A 42 -7.359 -0.996 11.018 1.00 0.00 C ATOM 606 CD ARG A 42 -7.522 -2.518 11.028 1.00 0.00 C ATOM 607 NE ARG A 42 -7.969 -2.971 12.364 1.00 0.00 N ATOM 608 CZ ARG A 42 -9.205 -2.786 12.845 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.126 -2.156 12.103 1.00 0.00 N ATOM 610 NH2 ARG A 42 -9.522 -3.230 14.069 1.00 0.00 N ATOM 0 H ARG A 42 -5.418 -0.476 9.459 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.458 -2.090 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.715 0.680 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.962 -0.550 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.307 -0.739 11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.895 -0.564 11.863 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.247 -2.819 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.576 -2.995 10.771 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.293 -3.454 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.886 -1.817 11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.067 -2.015 12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.822 -3.709 14.635 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.464 -3.089 14.435 1.00 0.00 H new ATOM 624 N ASP A 43 -7.204 0.884 7.039 1.00 0.00 N ATOM 625 CA ASP A 43 -7.578 1.662 5.870 1.00 0.00 C ATOM 626 C ASP A 43 -7.484 0.779 4.624 1.00 0.00 C ATOM 627 O ASP A 43 -8.379 0.794 3.780 1.00 0.00 O ATOM 628 CB ASP A 43 -6.638 2.853 5.678 1.00 0.00 C ATOM 629 CG ASP A 43 -7.027 4.116 6.449 1.00 0.00 C ATOM 630 OD1 ASP A 43 -6.688 4.174 7.651 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.656 4.994 5.820 1.00 0.00 O ATOM 0 H ASP A 43 -6.561 1.354 7.676 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.595 2.026 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.634 2.556 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.593 3.093 4.616 1.00 0.00 H new ATOM 636 N VAL A 44 -6.393 0.032 4.548 1.00 0.00 N ATOM 637 CA VAL A 44 -6.170 -0.855 3.419 1.00 0.00 C ATOM 638 C VAL A 44 -7.314 -1.868 3.339 1.00 0.00 C ATOM 639 O VAL A 44 -7.917 -2.047 2.282 1.00 0.00 O ATOM 640 CB VAL A 44 -4.795 -1.515 3.535 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.575 -2.527 2.408 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.683 -0.464 3.552 1.00 0.00 C ATOM 0 H VAL A 44 -5.653 0.023 5.250 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.167 -0.292 2.486 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.761 -2.055 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.590 -2.981 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.340 -3.302 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.638 -2.019 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.716 -0.959 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.716 0.115 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.824 0.201 4.404 1.00 0.00 H new ATOM 652 N LEU A 45 -7.578 -2.505 4.471 1.00 0.00 N ATOM 653 CA LEU A 45 -8.639 -3.495 4.542 1.00 0.00 C ATOM 654 C LEU A 45 -9.986 -2.813 4.296 1.00 0.00 C ATOM 655 O LEU A 45 -10.923 -3.439 3.804 1.00 0.00 O ATOM 656 CB LEU A 45 -8.570 -4.260 5.865 1.00 0.00 C ATOM 657 CG LEU A 45 -7.367 -5.190 6.041 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.890 -5.730 4.691 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.243 -4.492 6.809 1.00 0.00 C ATOM 0 H LEU A 45 -7.075 -2.355 5.346 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.513 -4.244 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.567 -3.537 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.480 -4.852 5.967 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.681 -6.047 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.035 -6.388 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.697 -6.288 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.598 -4.899 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.400 -5.174 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.923 -3.606 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.604 -4.197 7.794 1.00 0.00 H new ATOM 671 N ASP A 46 -10.040 -1.537 4.650 1.00 0.00 N ATOM 672 CA ASP A 46 -11.257 -0.762 4.474 1.00 0.00 C ATOM 673 C ASP A 46 -11.499 -0.534 2.981 1.00 0.00 C ATOM 674 O ASP A 46 -12.644 -0.424 2.544 1.00 0.00 O ATOM 675 CB ASP A 46 -11.141 0.606 5.149 1.00 0.00 C ATOM 676 CG ASP A 46 -11.666 0.666 6.584 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.893 0.854 6.732 1.00 0.00 O ATOM 678 OD2 ASP A 46 -10.829 0.522 7.501 1.00 0.00 O ATOM 0 H ASP A 46 -9.261 -1.020 5.058 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.079 -1.318 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.093 0.907 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.683 1.337 4.549 1.00 0.00 H new ATOM 683 N VAL A 47 -10.404 -0.470 2.239 1.00 0.00 N ATOM 684 CA VAL A 47 -10.483 -0.257 0.804 1.00 0.00 C ATOM 685 C VAL A 47 -10.685 -1.603 0.103 1.00 0.00 C ATOM 686 O VAL A 47 -11.685 -1.805 -0.584 1.00 0.00 O ATOM 687 CB VAL A 47 -9.240 0.490 0.316 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.273 0.675 -1.202 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.094 1.835 1.030 1.00 0.00 C ATOM 0 H VAL A 47 -9.456 -0.562 2.605 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.340 0.370 0.558 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.367 -0.115 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.378 1.209 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.307 -0.301 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.157 1.249 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.203 2.346 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.972 2.450 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.003 1.669 2.103 1.00 0.00 H new ATOM 699 N ILE A 48 -9.720 -2.488 0.302 1.00 0.00 N ATOM 700 CA ILE A 48 -9.779 -3.808 -0.302 1.00 0.00 C ATOM 701 C ILE A 48 -11.181 -4.390 -0.109 1.00 0.00 C ATOM 702 O ILE A 48 -11.742 -4.985 -1.028 1.00 0.00 O ATOM 703 CB ILE A 48 -8.663 -4.699 0.246 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.288 -4.175 -0.172 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.872 -6.157 -0.168 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.171 -5.061 0.385 1.00 0.00 C ATOM 0 H ILE A 48 -8.892 -2.317 0.873 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.605 -3.743 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.702 -4.665 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.223 -4.142 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.160 -3.154 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.065 -6.769 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.826 -6.513 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.874 -6.230 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.204 -4.666 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.224 -5.072 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.288 -6.076 0.005 1.00 0.00 H new ATOM 718 N GLY A 49 -11.707 -4.197 1.091 1.00 0.00 N ATOM 719 CA GLY A 49 -13.033 -4.695 1.416 1.00 0.00 C ATOM 720 C GLY A 49 -14.043 -4.312 0.333 1.00 0.00 C ATOM 721 O GLY A 49 -15.023 -5.023 0.114 1.00 0.00 O ATOM 0 H GLY A 49 -11.239 -3.703 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.002 -5.779 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.352 -4.290 2.376 1.00 0.00 H new ATOM 725 N GLN A 50 -13.770 -3.190 -0.316 1.00 0.00 N ATOM 726 CA GLN A 50 -14.643 -2.704 -1.372 1.00 0.00 C ATOM 727 C GLN A 50 -14.250 -3.327 -2.713 1.00 0.00 C ATOM 728 O GLN A 50 -15.069 -3.405 -3.628 1.00 0.00 O ATOM 729 CB GLN A 50 -14.615 -1.177 -1.447 1.00 0.00 C ATOM 730 CG GLN A 50 -14.810 -0.556 -0.062 1.00 0.00 C ATOM 731 CD GLN A 50 -15.875 0.542 -0.098 1.00 0.00 C ATOM 732 OE1 GLN A 50 -17.041 0.303 -0.365 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.410 1.756 0.184 1.00 0.00 N ATOM 0 H GLN A 50 -12.957 -2.603 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.665 -3.004 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.665 -0.847 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.399 -0.828 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.103 -1.329 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.866 -0.140 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.421 1.886 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.042 2.557 0.185 1.00 0.00 H new ATOM 742 N VAL A 51 -12.998 -3.753 -2.788 1.00 0.00 N ATOM 743 CA VAL A 51 -12.487 -4.366 -4.002 1.00 0.00 C ATOM 744 C VAL A 51 -12.876 -5.845 -4.024 1.00 0.00 C ATOM 745 O VAL A 51 -13.287 -6.367 -5.059 1.00 0.00 O ATOM 746 CB VAL A 51 -10.977 -4.143 -4.106 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.452 -4.576 -5.476 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.618 -2.684 -3.817 1.00 0.00 C ATOM 0 H VAL A 51 -12.322 -3.686 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.932 -3.900 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.493 -4.763 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.376 -4.407 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.660 -5.635 -5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.945 -3.995 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.539 -2.552 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.117 -2.037 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.941 -2.422 -2.809 1.00 0.00 H new ATOM 758 N LEU A 52 -12.731 -6.479 -2.870 1.00 0.00 N ATOM 759 CA LEU A 52 -13.062 -7.889 -2.744 1.00 0.00 C ATOM 760 C LEU A 52 -14.097 -8.068 -1.631 1.00 0.00 C ATOM 761 O LEU A 52 -13.769 -8.542 -0.544 1.00 0.00 O ATOM 762 CB LEU A 52 -11.794 -8.721 -2.544 1.00 0.00 C ATOM 763 CG LEU A 52 -10.937 -8.948 -3.791 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.061 -7.729 -4.084 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.112 -10.230 -3.663 1.00 0.00 C ATOM 0 H LEU A 52 -12.389 -6.043 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.516 -8.258 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.178 -8.233 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.081 -9.693 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.603 -9.078 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.462 -7.917 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.694 -6.857 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.401 -7.543 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.512 -10.368 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.455 -10.155 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.780 -11.082 -3.539 1.00 0.00 H new ATOM 777 N PRO A 53 -15.357 -7.668 -1.948 1.00 0.00 N ATOM 778 CA PRO A 53 -16.442 -7.780 -0.988 1.00 0.00 C ATOM 779 C PRO A 53 -16.901 -9.232 -0.845 1.00 0.00 C ATOM 780 O PRO A 53 -17.509 -9.599 0.159 1.00 0.00 O ATOM 781 CB PRO A 53 -17.532 -6.861 -1.517 1.00 0.00 C ATOM 782 CG PRO A 53 -17.207 -6.631 -2.984 1.00 0.00 C ATOM 783 CD PRO A 53 -15.782 -7.102 -3.225 1.00 0.00 C ATOM 0 HA PRO A 53 -16.145 -7.485 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.516 -7.315 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.549 -5.919 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.903 -7.179 -3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.308 -5.575 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.740 -7.845 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.138 -6.276 -3.526 1.00 0.00 H new ATOM 791 N GLU A 54 -16.592 -10.020 -1.865 1.00 0.00 N ATOM 792 CA GLU A 54 -16.965 -11.424 -1.866 1.00 0.00 C ATOM 793 C GLU A 54 -15.793 -12.285 -1.389 1.00 0.00 C ATOM 794 O GLU A 54 -15.958 -13.477 -1.135 1.00 0.00 O ATOM 795 CB GLU A 54 -17.440 -11.864 -3.252 1.00 0.00 C ATOM 796 CG GLU A 54 -17.201 -13.360 -3.464 1.00 0.00 C ATOM 797 CD GLU A 54 -18.034 -14.193 -2.487 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.445 -13.616 -1.457 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.241 -15.387 -2.793 1.00 0.00 O ATOM 0 H GLU A 54 -16.087 -9.712 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.796 -11.560 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.501 -11.642 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -16.913 -11.296 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.457 -13.631 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.143 -13.585 -3.329 1.00 0.00 H new ATOM 806 N ALA A 55 -14.637 -11.647 -1.283 1.00 0.00 N ATOM 807 CA ALA A 55 -13.438 -12.340 -0.841 1.00 0.00 C ATOM 808 C ALA A 55 -12.735 -11.501 0.228 1.00 0.00 C ATOM 809 O ALA A 55 -12.257 -10.403 -0.054 1.00 0.00 O ATOM 810 CB ALA A 55 -12.539 -12.623 -2.046 1.00 0.00 C ATOM 0 H ALA A 55 -14.505 -10.658 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.692 -13.300 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.640 -13.143 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.075 -13.246 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.260 -11.682 -2.521 1.00 0.00 H new ATOM 816 N THR A 56 -12.693 -12.051 1.432 1.00 0.00 N ATOM 817 CA THR A 56 -12.055 -11.367 2.545 1.00 0.00 C ATOM 818 C THR A 56 -10.581 -11.101 2.233 1.00 0.00 C ATOM 819 O THR A 56 -10.057 -11.587 1.232 1.00 0.00 O ATOM 820 CB THR A 56 -12.267 -12.212 3.803 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.675 -12.166 4.019 1.00 0.00 O ATOM 822 CG2 THR A 56 -11.676 -11.558 5.054 1.00 0.00 C ATOM 0 H THR A 56 -13.090 -12.962 1.662 1.00 0.00 H new ATOM 0 HA THR A 56 -12.501 -10.387 2.715 1.00 0.00 H new ATOM 0 HB THR A 56 -11.817 -13.195 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.901 -12.690 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.854 -12.198 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.603 -11.419 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.149 -10.590 5.217 1.00 0.00 H new ATOM 830 N THR A 57 -9.954 -10.329 3.109 1.00 0.00 N ATOM 831 CA THR A 57 -8.551 -9.992 2.940 1.00 0.00 C ATOM 832 C THR A 57 -7.846 -9.947 4.297 1.00 0.00 C ATOM 833 O THR A 57 -6.983 -10.776 4.580 1.00 0.00 O ATOM 834 CB THR A 57 -8.472 -8.672 2.170 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.844 -9.023 0.840 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.036 -8.160 2.032 1.00 0.00 C ATOM 0 H THR A 57 -10.392 -9.927 3.938 1.00 0.00 H new ATOM 0 HA THR A 57 -8.028 -10.754 2.363 1.00 0.00 H new ATOM 0 HB THR A 57 -9.079 -7.920 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.724 -8.644 0.636 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.036 -7.221 1.478 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.611 -7.997 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.437 -8.897 1.497 1.00 0.00 H new ATOM 844 N THR A 58 -8.240 -8.970 5.100 1.00 0.00 N ATOM 845 CA THR A 58 -7.657 -8.806 6.421 1.00 0.00 C ATOM 846 C THR A 58 -6.190 -8.385 6.307 1.00 0.00 C ATOM 847 O THR A 58 -5.806 -7.324 6.798 1.00 0.00 O ATOM 848 CB THR A 58 -7.855 -10.113 7.191 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.264 -10.184 7.397 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.274 -10.053 8.605 1.00 0.00 C ATOM 0 H THR A 58 -8.956 -8.284 4.862 1.00 0.00 H new ATOM 0 HA THR A 58 -8.151 -8.008 6.975 1.00 0.00 H new ATOM 0 HB THR A 58 -7.390 -10.932 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.482 -11.003 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.441 -11.005 9.108 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.204 -9.855 8.550 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.763 -9.256 9.166 1.00 0.00 H new ATOM 858 N ALA A 59 -5.411 -9.237 5.658 1.00 0.00 N ATOM 859 CA ALA A 59 -3.996 -8.966 5.474 1.00 0.00 C ATOM 860 C ALA A 59 -3.663 -9.009 3.981 1.00 0.00 C ATOM 861 O ALA A 59 -4.479 -9.446 3.172 1.00 0.00 O ATOM 862 CB ALA A 59 -3.174 -9.971 6.283 1.00 0.00 C ATOM 0 H ALA A 59 -5.733 -10.116 5.253 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.745 -7.970 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.112 -9.768 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.426 -9.881 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.397 -10.982 5.942 1.00 0.00 H new ATOM 868 N PHE A 60 -2.462 -8.548 3.662 1.00 0.00 N ATOM 869 CA PHE A 60 -2.011 -8.528 2.281 1.00 0.00 C ATOM 870 C PHE A 60 -0.488 -8.651 2.199 1.00 0.00 C ATOM 871 O PHE A 60 0.216 -8.338 3.159 1.00 0.00 O ATOM 872 CB PHE A 60 -2.435 -7.182 1.691 1.00 0.00 C ATOM 873 CG PHE A 60 -2.149 -5.986 2.602 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.049 -5.628 3.557 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.995 -5.281 2.458 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.784 -4.518 4.402 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.730 -4.172 3.303 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.630 -3.814 4.258 1.00 0.00 C ATOM 0 H PHE A 60 -1.788 -8.186 4.336 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.446 -9.366 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.920 -7.034 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.502 -7.213 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.965 -6.188 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.280 -5.565 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.499 -4.233 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.186 -3.612 3.188 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.428 -2.971 4.902 1.00 0.00 H new ATOM 888 N GLU A 61 -0.024 -9.106 1.045 1.00 0.00 N ATOM 889 CA GLU A 61 1.403 -9.273 0.826 1.00 0.00 C ATOM 890 C GLU A 61 1.901 -8.272 -0.218 1.00 0.00 C ATOM 891 O GLU A 61 1.119 -7.768 -1.023 1.00 0.00 O ATOM 892 CB GLU A 61 1.729 -10.708 0.408 1.00 0.00 C ATOM 893 CG GLU A 61 1.441 -11.690 1.546 1.00 0.00 C ATOM 894 CD GLU A 61 2.319 -12.937 1.429 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.556 -12.770 1.499 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.733 -14.031 1.273 1.00 0.00 O ATOM 0 H GLU A 61 -0.611 -9.364 0.251 1.00 0.00 H new ATOM 0 HA GLU A 61 1.920 -9.076 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.139 -10.978 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.778 -10.777 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.620 -11.204 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.390 -11.978 1.526 1.00 0.00 H new ATOM 903 N TYR A 62 3.199 -8.013 -0.171 1.00 0.00 N ATOM 904 CA TYR A 62 3.811 -7.080 -1.103 1.00 0.00 C ATOM 905 C TYR A 62 5.266 -7.460 -1.382 1.00 0.00 C ATOM 906 O TYR A 62 6.027 -7.739 -0.457 1.00 0.00 O ATOM 907 CB TYR A 62 3.775 -5.714 -0.416 1.00 0.00 C ATOM 908 CG TYR A 62 4.960 -5.455 0.516 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.199 -5.153 -0.010 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.789 -5.523 1.884 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.315 -4.909 0.868 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.904 -5.279 2.762 1.00 0.00 C ATOM 913 CZ TYR A 62 7.112 -4.984 2.210 1.00 0.00 C ATOM 914 OH TYR A 62 8.165 -4.754 3.039 1.00 0.00 O ATOM 0 H TYR A 62 3.845 -8.433 0.498 1.00 0.00 H new ATOM 0 HA TYR A 62 3.280 -7.083 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.749 -4.936 -1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.851 -5.631 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.333 -5.099 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.819 -5.759 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.290 -4.672 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.784 -5.329 3.834 1.00 0.00 H new ATOM 0 HH TYR A 62 7.873 -4.840 3.970 1.00 0.00 H new ATOM 924 N GLU A 63 5.610 -7.458 -2.662 1.00 0.00 N ATOM 925 CA GLU A 63 6.961 -7.798 -3.075 1.00 0.00 C ATOM 926 C GLU A 63 7.955 -6.767 -2.539 1.00 0.00 C ATOM 927 O GLU A 63 7.829 -5.575 -2.816 1.00 0.00 O ATOM 928 CB GLU A 63 7.056 -7.912 -4.598 1.00 0.00 C ATOM 929 CG GLU A 63 6.654 -9.311 -5.069 1.00 0.00 C ATOM 930 CD GLU A 63 5.709 -9.235 -6.270 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.961 -8.236 -6.340 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.756 -10.177 -7.090 1.00 0.00 O ATOM 0 H GLU A 63 4.976 -7.226 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 63 7.215 -8.771 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.409 -7.168 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.075 -7.695 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.545 -9.878 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.169 -9.848 -4.254 1.00 0.00 H new ATOM 939 N ASP A 64 8.922 -7.263 -1.780 1.00 0.00 N ATOM 940 CA ASP A 64 9.937 -6.399 -1.202 1.00 0.00 C ATOM 941 C ASP A 64 11.078 -6.219 -2.206 1.00 0.00 C ATOM 942 O ASP A 64 10.934 -6.552 -3.381 1.00 0.00 O ATOM 943 CB ASP A 64 10.522 -7.011 0.072 1.00 0.00 C ATOM 944 CG ASP A 64 11.331 -8.293 -0.138 1.00 0.00 C ATOM 945 OD1 ASP A 64 11.251 -8.836 -1.261 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.010 -8.700 0.829 1.00 0.00 O ATOM 0 H ASP A 64 9.024 -8.252 -1.552 1.00 0.00 H new ATOM 0 HA ASP A 64 9.470 -5.444 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.162 -6.270 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.706 -7.223 0.763 1.00 0.00 H new ATOM 951 N GLU A 65 12.186 -5.692 -1.705 1.00 0.00 N ATOM 952 CA GLU A 65 13.351 -5.463 -2.544 1.00 0.00 C ATOM 953 C GLU A 65 13.845 -6.784 -3.137 1.00 0.00 C ATOM 954 O GLU A 65 14.388 -6.808 -4.241 1.00 0.00 O ATOM 955 CB GLU A 65 14.463 -4.765 -1.758 1.00 0.00 C ATOM 956 CG GLU A 65 14.737 -5.486 -0.437 1.00 0.00 C ATOM 957 CD GLU A 65 16.107 -5.100 0.125 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.033 -4.941 -0.699 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.197 -4.973 1.365 1.00 0.00 O ATOM 0 H GLU A 65 12.302 -5.417 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 65 13.062 -4.805 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.374 -4.737 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.179 -3.731 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.960 -5.236 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.694 -6.564 -0.591 1.00 0.00 H new ATOM 966 N ASP A 66 13.639 -7.851 -2.379 1.00 0.00 N ATOM 967 CA ASP A 66 14.057 -9.172 -2.817 1.00 0.00 C ATOM 968 C ASP A 66 12.850 -9.922 -3.385 1.00 0.00 C ATOM 969 O ASP A 66 12.886 -11.142 -3.532 1.00 0.00 O ATOM 970 CB ASP A 66 14.614 -9.988 -1.649 1.00 0.00 C ATOM 971 CG ASP A 66 16.131 -10.183 -1.661 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.586 -11.053 -2.435 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.802 -9.457 -0.896 1.00 0.00 O ATOM 0 H ASP A 66 13.188 -7.828 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 66 14.833 -9.047 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.333 -9.498 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.137 -10.968 -1.650 1.00 0.00 H new ATOM 978 N GLY A 67 11.809 -9.159 -3.688 1.00 0.00 N ATOM 979 CA GLY A 67 10.594 -9.736 -4.237 1.00 0.00 C ATOM 980 C GLY A 67 10.306 -11.104 -3.613 1.00 0.00 C ATOM 981 O GLY A 67 10.087 -12.082 -4.326 1.00 0.00 O ATOM 0 H GLY A 67 11.782 -8.147 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.754 -9.065 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.692 -9.839 -5.318 1.00 0.00 H new ATOM 985 N ASP A 68 10.315 -11.128 -2.288 1.00 0.00 N ATOM 986 CA ASP A 68 10.058 -12.359 -1.561 1.00 0.00 C ATOM 987 C ASP A 68 8.615 -12.353 -1.051 1.00 0.00 C ATOM 988 O ASP A 68 8.201 -13.266 -0.339 1.00 0.00 O ATOM 989 CB ASP A 68 10.986 -12.488 -0.351 1.00 0.00 C ATOM 990 CG ASP A 68 11.323 -13.924 0.054 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.371 -14.730 0.134 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.526 -14.184 0.276 1.00 0.00 O ATOM 0 H ASP A 68 10.496 -10.315 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 68 10.232 -13.194 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.915 -11.960 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.523 -11.986 0.498 1.00 0.00 H new ATOM 997 N ARG A 69 7.889 -11.314 -1.437 1.00 0.00 N ATOM 998 CA ARG A 69 6.502 -11.177 -1.028 1.00 0.00 C ATOM 999 C ARG A 69 6.396 -11.173 0.498 1.00 0.00 C ATOM 1000 O ARG A 69 6.530 -12.216 1.137 1.00 0.00 O ATOM 1001 CB ARG A 69 5.648 -12.316 -1.588 1.00 0.00 C ATOM 1002 CG ARG A 69 5.544 -12.226 -3.112 1.00 0.00 C ATOM 1003 CD ARG A 69 4.305 -11.433 -3.531 1.00 0.00 C ATOM 1004 NE ARG A 69 4.001 -11.687 -4.957 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.303 -12.742 -5.401 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.833 -13.647 -4.532 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.075 -12.891 -6.713 1.00 0.00 N ATOM 0 H ARG A 69 8.236 -10.559 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 69 6.132 -10.231 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.084 -13.274 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.651 -12.277 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.438 -11.749 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.499 -13.229 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.454 -11.718 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.473 -10.368 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 69 4.344 -11.017 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.006 -13.533 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.302 -14.450 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.433 -12.202 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.544 -13.694 -7.050 1.00 0.00 H new ATOM 1021 N ILE A 70 6.157 -9.987 1.040 1.00 0.00 N ATOM 1022 CA ILE A 70 6.032 -9.833 2.479 1.00 0.00 C ATOM 1023 C ILE A 70 4.567 -10.013 2.882 1.00 0.00 C ATOM 1024 O ILE A 70 3.705 -10.213 2.027 1.00 0.00 O ATOM 1025 CB ILE A 70 6.635 -8.501 2.930 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.863 -8.143 2.091 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.949 -8.520 4.427 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.985 -9.162 2.299 1.00 0.00 C ATOM 0 H ILE A 70 6.047 -9.124 0.508 1.00 0.00 H new ATOM 0 HA ILE A 70 6.602 -10.605 2.995 1.00 0.00 H new ATOM 0 HB ILE A 70 5.894 -7.718 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.590 -8.108 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.216 -7.148 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.376 -7.561 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.032 -8.696 4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.663 -9.316 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.846 -8.884 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.273 -9.177 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.637 -10.152 2.004 1.00 0.00 H new ATOM 1040 N THR A 71 4.330 -9.935 4.183 1.00 0.00 N ATOM 1041 CA THR A 71 2.984 -10.086 4.709 1.00 0.00 C ATOM 1042 C THR A 71 2.697 -9.009 5.757 1.00 0.00 C ATOM 1043 O THR A 71 3.411 -8.901 6.753 1.00 0.00 O ATOM 1044 CB THR A 71 2.845 -11.511 5.248 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.768 -12.320 4.077 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.505 -11.744 5.950 1.00 0.00 C ATOM 0 H THR A 71 5.048 -9.769 4.889 1.00 0.00 H new ATOM 0 HA THR A 71 2.236 -9.943 3.929 1.00 0.00 H new ATOM 0 HB THR A 71 3.659 -11.717 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.678 -13.261 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.458 -12.771 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.410 -11.057 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.691 -11.571 5.246 1.00 0.00 H new ATOM 1054 N VAL A 72 1.650 -8.240 5.497 1.00 0.00 N ATOM 1055 CA VAL A 72 1.259 -7.176 6.405 1.00 0.00 C ATOM 1056 C VAL A 72 0.032 -7.619 7.205 1.00 0.00 C ATOM 1057 O VAL A 72 -1.074 -7.676 6.671 1.00 0.00 O ATOM 1058 CB VAL A 72 1.028 -5.880 5.625 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.599 -4.747 6.559 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.274 -5.492 4.826 1.00 0.00 C ATOM 0 H VAL A 72 1.060 -8.333 4.670 1.00 0.00 H new ATOM 0 HA VAL A 72 2.057 -6.972 7.119 1.00 0.00 H new ATOM 0 HB VAL A 72 0.218 -6.054 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.441 -3.837 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.328 -5.022 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.377 -4.573 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.083 -4.568 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.112 -5.345 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.515 -6.286 4.120 1.00 0.00 H new ATOM 1070 N ARG A 73 0.270 -7.920 8.474 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.802 -8.355 9.353 1.00 0.00 C ATOM 1072 C ARG A 73 -1.166 -7.242 10.338 1.00 0.00 C ATOM 1073 O ARG A 73 -2.253 -7.250 10.914 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.399 -9.607 10.134 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.637 -10.871 9.306 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.981 -12.060 10.206 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.926 -12.963 9.513 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.254 -12.785 9.489 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.802 -11.737 10.119 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.035 -13.656 8.834 1.00 0.00 N ATOM 0 H ARG A 73 1.189 -7.871 8.914 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.666 -8.591 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.653 -9.543 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.971 -9.662 11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.448 -10.699 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.253 -11.099 8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.073 -12.603 10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.421 -11.706 11.138 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.543 -13.771 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.208 -11.074 10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.813 -11.602 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.618 -14.454 8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.046 -13.521 8.816 1.00 0.00 H new ATOM 1094 N SER A 74 -0.237 -6.312 10.500 1.00 0.00 N ATOM 1095 CA SER A 74 -0.446 -5.195 11.405 1.00 0.00 C ATOM 1096 C SER A 74 0.175 -3.925 10.821 1.00 0.00 C ATOM 1097 O SER A 74 0.891 -3.982 9.823 1.00 0.00 O ATOM 1098 CB SER A 74 0.142 -5.487 12.787 1.00 0.00 C ATOM 1099 OG SER A 74 -0.645 -4.925 13.832 1.00 0.00 O ATOM 0 H SER A 74 0.663 -6.309 10.020 1.00 0.00 H new ATOM 0 HA SER A 74 -1.519 -5.046 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.216 -6.565 12.929 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.155 -5.088 12.842 1.00 0.00 H new ATOM 0 HG SER A 74 -0.237 -5.135 14.698 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.121 -2.808 11.469 1.00 0.00 N ATOM 1106 CA ASP A 75 0.400 -1.525 11.027 1.00 0.00 C ATOM 1107 C ASP A 75 1.926 -1.603 10.938 1.00 0.00 C ATOM 1108 O ASP A 75 2.527 -1.042 10.023 1.00 0.00 O ATOM 1109 CB ASP A 75 0.040 -0.414 12.015 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.448 -0.304 12.350 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.221 -0.008 11.413 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.781 -0.519 13.536 1.00 0.00 O ATOM 0 H ASP A 75 -0.715 -2.765 12.297 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.039 -1.299 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.594 -0.577 12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.376 0.539 11.606 1.00 0.00 H new ATOM 1117 N GLU A 76 2.508 -2.302 11.901 1.00 0.00 N ATOM 1118 CA GLU A 76 3.952 -2.460 11.943 1.00 0.00 C ATOM 1119 C GLU A 76 4.485 -2.835 10.559 1.00 0.00 C ATOM 1120 O GLU A 76 5.321 -2.127 9.999 1.00 0.00 O ATOM 1121 CB GLU A 76 4.359 -3.501 12.988 1.00 0.00 C ATOM 1122 CG GLU A 76 5.420 -2.939 13.937 1.00 0.00 C ATOM 1123 CD GLU A 76 5.742 -3.937 15.051 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.435 -4.930 14.741 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.287 -3.684 16.188 1.00 0.00 O ATOM 0 H GLU A 76 2.006 -2.765 12.658 1.00 0.00 H new ATOM 0 HA GLU A 76 4.394 -1.508 12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.483 -3.811 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.746 -4.390 12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.327 -2.707 13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.066 -2.004 14.372 1.00 0.00 H new ATOM 1132 N GLU A 77 3.980 -3.947 10.046 1.00 0.00 N ATOM 1133 CA GLU A 77 4.395 -4.425 8.738 1.00 0.00 C ATOM 1134 C GLU A 77 4.082 -3.377 7.667 1.00 0.00 C ATOM 1135 O GLU A 77 4.896 -3.131 6.778 1.00 0.00 O ATOM 1136 CB GLU A 77 3.732 -5.763 8.407 1.00 0.00 C ATOM 1137 CG GLU A 77 4.453 -6.919 9.102 1.00 0.00 C ATOM 1138 CD GLU A 77 3.468 -8.022 9.496 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.408 -7.663 10.053 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.797 -9.198 9.232 1.00 0.00 O ATOM 0 H GLU A 77 3.287 -4.531 10.513 1.00 0.00 H new ATOM 0 HA GLU A 77 5.473 -4.587 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.687 -5.742 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.741 -5.920 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.216 -7.328 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.966 -6.551 9.990 1.00 0.00 H new ATOM 1147 N MET A 78 2.901 -2.789 7.787 1.00 0.00 N ATOM 1148 CA MET A 78 2.471 -1.774 6.841 1.00 0.00 C ATOM 1149 C MET A 78 3.551 -0.706 6.653 1.00 0.00 C ATOM 1150 O MET A 78 4.129 -0.586 5.574 1.00 0.00 O ATOM 1151 CB MET A 78 1.185 -1.117 7.346 1.00 0.00 C ATOM 1152 CG MET A 78 0.042 -1.309 6.348 1.00 0.00 C ATOM 1153 SD MET A 78 -0.083 0.116 5.280 1.00 0.00 S ATOM 1154 CE MET A 78 -0.925 1.248 6.373 1.00 0.00 C ATOM 0 H MET A 78 2.228 -2.996 8.525 1.00 0.00 H new ATOM 0 HA MET A 78 2.291 -2.254 5.879 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.907 -1.546 8.309 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.356 -0.053 7.508 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.215 -2.206 5.753 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.897 -1.457 6.882 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.926 1.447 5.990 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.998 0.807 7.367 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.366 2.182 6.430 1.00 0.00 H new ATOM 1164 N LYS A 79 3.790 0.041 7.720 1.00 0.00 N ATOM 1165 CA LYS A 79 4.790 1.095 7.687 1.00 0.00 C ATOM 1166 C LYS A 79 6.026 0.595 6.936 1.00 0.00 C ATOM 1167 O LYS A 79 6.584 1.311 6.105 1.00 0.00 O ATOM 1168 CB LYS A 79 5.090 1.594 9.102 1.00 0.00 C ATOM 1169 CG LYS A 79 4.211 2.795 9.457 1.00 0.00 C ATOM 1170 CD LYS A 79 5.014 3.859 10.208 1.00 0.00 C ATOM 1171 CE LYS A 79 4.561 3.961 11.666 1.00 0.00 C ATOM 1172 NZ LYS A 79 3.300 4.731 11.764 1.00 0.00 N ATOM 0 H LYS A 79 3.309 -0.062 8.613 1.00 0.00 H new ATOM 0 HA LYS A 79 4.413 1.961 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.921 0.790 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.141 1.873 9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.792 3.225 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.372 2.467 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.075 3.613 10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.893 4.825 9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.418 2.963 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.336 4.444 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.006 4.791 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.448 5.689 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.558 4.254 11.212 1.00 0.00 H new ATOM 1186 N ALA A 80 6.418 -0.629 7.256 1.00 0.00 N ATOM 1187 CA ALA A 80 7.578 -1.233 6.622 1.00 0.00 C ATOM 1188 C ALA A 80 7.366 -1.267 5.107 1.00 0.00 C ATOM 1189 O ALA A 80 8.179 -0.738 4.351 1.00 0.00 O ATOM 1190 CB ALA A 80 7.814 -2.626 7.209 1.00 0.00 C ATOM 0 H ALA A 80 5.953 -1.219 7.946 1.00 0.00 H new ATOM 0 HA ALA A 80 8.473 -0.642 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.684 -3.079 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.989 -2.544 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.938 -3.249 7.031 1.00 0.00 H new ATOM 1196 N MET A 81 6.270 -1.896 4.709 1.00 0.00 N ATOM 1197 CA MET A 81 5.940 -2.007 3.299 1.00 0.00 C ATOM 1198 C MET A 81 6.046 -0.648 2.603 1.00 0.00 C ATOM 1199 O MET A 81 6.538 -0.559 1.479 1.00 0.00 O ATOM 1200 CB MET A 81 4.518 -2.549 3.147 1.00 0.00 C ATOM 1201 CG MET A 81 4.067 -2.505 1.685 1.00 0.00 C ATOM 1202 SD MET A 81 2.381 -3.075 1.549 1.00 0.00 S ATOM 1203 CE MET A 81 1.515 -1.625 2.125 1.00 0.00 C ATOM 0 H MET A 81 5.599 -2.334 5.339 1.00 0.00 H new ATOM 0 HA MET A 81 6.649 -2.690 2.832 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.475 -3.575 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.834 -1.962 3.760 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.148 -1.488 1.301 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.721 -3.129 1.075 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.225 -1.764 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.167 -0.755 2.043 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.623 -1.469 1.518 1.00 0.00 H new ATOM 1213 N LEU A 82 5.576 0.376 3.300 1.00 0.00 N ATOM 1214 CA LEU A 82 5.612 1.726 2.763 1.00 0.00 C ATOM 1215 C LEU A 82 7.044 2.260 2.832 1.00 0.00 C ATOM 1216 O LEU A 82 7.519 2.895 1.892 1.00 0.00 O ATOM 1217 CB LEU A 82 4.590 2.613 3.477 1.00 0.00 C ATOM 1218 CG LEU A 82 3.120 2.332 3.158 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.246 2.509 4.401 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.637 3.196 1.991 1.00 0.00 C ATOM 0 H LEU A 82 5.168 0.298 4.232 1.00 0.00 H new ATOM 0 HA LEU A 82 5.322 1.726 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.735 2.507 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.803 3.652 3.228 1.00 0.00 H new ATOM 0 HG LEU A 82 3.031 1.291 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.206 2.303 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.573 1.818 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.335 3.532 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.589 2.977 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.743 4.249 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.234 2.978 1.106 1.00 0.00 H new ATOM 1232 N SER A 83 7.692 1.983 3.954 1.00 0.00 N ATOM 1233 CA SER A 83 9.060 2.427 4.158 1.00 0.00 C ATOM 1234 C SER A 83 9.950 1.920 3.022 1.00 0.00 C ATOM 1235 O SER A 83 10.882 2.606 2.605 1.00 0.00 O ATOM 1236 CB SER A 83 9.599 1.949 5.508 1.00 0.00 C ATOM 1237 OG SER A 83 10.975 2.276 5.679 1.00 0.00 O ATOM 0 H SER A 83 7.294 1.456 4.732 1.00 0.00 H new ATOM 0 HA SER A 83 9.069 3.517 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.017 2.400 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.470 0.870 5.588 1.00 0.00 H new ATOM 0 HG SER A 83 11.281 1.956 6.553 1.00 0.00 H new ATOM 1243 N TYR A 84 9.631 0.723 2.552 1.00 0.00 N ATOM 1244 CA TYR A 84 10.389 0.116 1.472 1.00 0.00 C ATOM 1245 C TYR A 84 10.008 0.728 0.122 1.00 0.00 C ATOM 1246 O TYR A 84 10.848 1.318 -0.556 1.00 0.00 O ATOM 1247 CB TYR A 84 10.010 -1.366 1.471 1.00 0.00 C ATOM 1248 CG TYR A 84 9.990 -2.003 0.080 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.154 -2.088 -0.657 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.808 -2.492 -0.438 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.135 -2.687 -1.966 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.789 -3.090 -1.748 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.954 -3.158 -2.447 1.00 0.00 C ATOM 1254 OH TYR A 84 9.936 -3.724 -3.684 1.00 0.00 O ATOM 0 H TYR A 84 8.857 0.157 2.900 1.00 0.00 H new ATOM 0 HA TYR A 84 11.458 0.274 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.715 -1.911 2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.026 -1.479 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.079 -1.705 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.897 -2.426 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.039 -2.761 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.871 -3.476 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 84 9.257 -4.430 -3.711 1.00 0.00 H new ATOM 1264 N TYR A 85 8.740 0.568 -0.227 1.00 0.00 N ATOM 1265 CA TYR A 85 8.237 1.098 -1.483 1.00 0.00 C ATOM 1266 C TYR A 85 8.858 2.462 -1.791 1.00 0.00 C ATOM 1267 O TYR A 85 9.340 2.693 -2.899 1.00 0.00 O ATOM 1268 CB TYR A 85 6.729 1.268 -1.295 1.00 0.00 C ATOM 1269 CG TYR A 85 5.986 1.684 -2.566 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.788 0.769 -3.580 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.515 2.974 -2.699 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.089 1.161 -4.777 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.816 3.366 -3.896 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.637 2.440 -4.876 1.00 0.00 C ATOM 1275 OH TYR A 85 3.977 2.809 -6.006 1.00 0.00 O ATOM 0 H TYR A 85 8.046 0.079 0.338 1.00 0.00 H new ATOM 0 HA TYR A 85 8.483 0.429 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.310 0.329 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.552 2.015 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.157 -0.241 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.670 3.690 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.927 0.455 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.442 4.373 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 85 4.577 2.727 -6.777 1.00 0.00 H new ATOM 1285 N TYR A 86 8.827 3.330 -0.790 1.00 0.00 N ATOM 1286 CA TYR A 86 9.380 4.665 -0.939 1.00 0.00 C ATOM 1287 C TYR A 86 10.910 4.625 -0.962 1.00 0.00 C ATOM 1288 O TYR A 86 11.541 5.338 -1.740 1.00 0.00 O ATOM 1289 CB TYR A 86 8.921 5.452 0.289 1.00 0.00 C ATOM 1290 CG TYR A 86 7.401 5.544 0.437 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.599 5.576 -0.686 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.831 5.595 1.693 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.168 5.662 -0.547 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.401 5.682 1.832 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.640 5.711 0.705 1.00 0.00 C ATOM 1296 OH TYR A 86 3.289 5.793 0.836 1.00 0.00 O ATOM 0 H TYR A 86 8.427 3.134 0.128 1.00 0.00 H new ATOM 0 HA TYR A 86 9.046 5.116 -1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.335 4.985 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.332 6.460 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.045 5.537 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.458 5.570 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.529 5.687 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.943 5.723 2.809 1.00 0.00 H new ATOM 0 HH TYR A 86 2.901 6.152 0.011 1.00 0.00 H new ATOM 1306 N SER A 87 11.461 3.784 -0.100 1.00 0.00 N ATOM 1307 CA SER A 87 12.904 3.641 -0.011 1.00 0.00 C ATOM 1308 C SER A 87 13.466 3.165 -1.352 1.00 0.00 C ATOM 1309 O SER A 87 14.604 3.478 -1.698 1.00 0.00 O ATOM 1310 CB SER A 87 13.294 2.669 1.104 1.00 0.00 C ATOM 1311 OG SER A 87 14.628 2.191 0.953 1.00 0.00 O ATOM 0 H SER A 87 10.934 3.194 0.544 1.00 0.00 H new ATOM 0 HA SER A 87 13.330 4.615 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.194 3.165 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.604 1.825 1.107 1.00 0.00 H new ATOM 0 HG SER A 87 14.839 1.575 1.685 1.00 0.00 H new ATOM 1317 N THR A 88 12.642 2.416 -2.070 1.00 0.00 N ATOM 1318 CA THR A 88 13.043 1.894 -3.365 1.00 0.00 C ATOM 1319 C THR A 88 12.540 2.805 -4.487 1.00 0.00 C ATOM 1320 O THR A 88 13.277 3.106 -5.425 1.00 0.00 O ATOM 1321 CB THR A 88 12.530 0.456 -3.474 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.533 -0.213 -4.233 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.273 0.347 -4.340 1.00 0.00 C ATOM 0 H THR A 88 11.699 2.158 -1.779 1.00 0.00 H new ATOM 0 HA THR A 88 14.128 1.876 -3.466 1.00 0.00 H new ATOM 0 HB THR A 88 12.319 0.069 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.282 -1.153 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.951 -0.693 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.479 0.955 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.493 0.702 -5.347 1.00 0.00 H new ATOM 1331 N VAL A 89 11.289 3.219 -4.353 1.00 0.00 N ATOM 1332 CA VAL A 89 10.679 4.090 -5.344 1.00 0.00 C ATOM 1333 C VAL A 89 11.606 5.277 -5.612 1.00 0.00 C ATOM 1334 O VAL A 89 11.893 5.597 -6.765 1.00 0.00 O ATOM 1335 CB VAL A 89 9.284 4.514 -4.880 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.861 5.827 -5.542 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.259 3.410 -5.147 1.00 0.00 C ATOM 0 H VAL A 89 10.681 2.968 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 89 10.546 3.561 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 89 9.325 4.680 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.866 6.105 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.570 6.612 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.845 5.700 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.276 3.737 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.223 3.198 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.547 2.508 -4.608 1.00 0.00 H new ATOM 1347 N MET A 90 12.048 5.899 -4.529 1.00 0.00 N ATOM 1348 CA MET A 90 12.936 7.044 -4.633 1.00 0.00 C ATOM 1349 C MET A 90 14.215 6.679 -5.391 1.00 0.00 C ATOM 1350 O MET A 90 14.839 7.537 -6.013 1.00 0.00 O ATOM 1351 CB MET A 90 13.297 7.540 -3.232 1.00 0.00 C ATOM 1352 CG MET A 90 14.514 6.793 -2.682 1.00 0.00 C ATOM 1353 SD MET A 90 16.015 7.616 -3.187 1.00 0.00 S ATOM 1354 CE MET A 90 16.377 8.538 -1.703 1.00 0.00 C ATOM 0 H MET A 90 11.807 5.631 -3.575 1.00 0.00 H new ATOM 0 HA MET A 90 12.421 7.830 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.506 8.609 -3.264 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.448 7.401 -2.563 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.462 6.748 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.514 5.765 -3.044 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.292 9.114 -1.846 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.552 9.216 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.509 7.848 -0.869 1.00 0.00 H new ATOM 1364 N GLU A 91 14.567 5.404 -5.313 1.00 0.00 N ATOM 1365 CA GLU A 91 15.760 4.914 -5.983 1.00 0.00 C ATOM 1366 C GLU A 91 15.484 4.709 -7.474 1.00 0.00 C ATOM 1367 O GLU A 91 16.400 4.772 -8.292 1.00 0.00 O ATOM 1368 CB GLU A 91 16.262 3.622 -5.335 1.00 0.00 C ATOM 1369 CG GLU A 91 17.147 3.924 -4.124 1.00 0.00 C ATOM 1370 CD GLU A 91 17.582 2.633 -3.428 1.00 0.00 C ATOM 1371 OE1 GLU A 91 16.788 2.139 -2.599 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.700 2.169 -3.741 1.00 0.00 O ATOM 0 H GLU A 91 14.047 4.695 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 91 16.546 5.662 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.413 3.012 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.824 3.040 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.026 4.484 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.604 4.556 -3.421 1.00 0.00 H new ATOM 1379 N GLN A 92 14.218 4.468 -7.782 1.00 0.00 N ATOM 1380 CA GLN A 92 13.811 4.253 -9.160 1.00 0.00 C ATOM 1381 C GLN A 92 13.826 5.575 -9.930 1.00 0.00 C ATOM 1382 O GLN A 92 13.970 5.585 -11.151 1.00 0.00 O ATOM 1383 CB GLN A 92 12.432 3.594 -9.227 1.00 0.00 C ATOM 1384 CG GLN A 92 12.542 2.075 -9.083 1.00 0.00 C ATOM 1385 CD GLN A 92 11.738 1.361 -10.171 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.216 1.101 -11.263 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.493 1.060 -9.813 1.00 0.00 N ATOM 0 H GLN A 92 13.461 4.417 -7.101 1.00 0.00 H new ATOM 0 HA GLN A 92 14.524 3.575 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.796 3.993 -8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.954 3.839 -10.175 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.588 1.775 -9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.180 1.772 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.156 1.307 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.875 0.583 -10.469 1.00 0.00 H new ATOM 1396 N GLN A 93 13.674 6.660 -9.183 1.00 0.00 N ATOM 1397 CA GLN A 93 13.668 7.984 -9.781 1.00 0.00 C ATOM 1398 C GLN A 93 15.099 8.502 -9.938 1.00 0.00 C ATOM 1399 O GLN A 93 15.492 8.932 -11.021 1.00 0.00 O ATOM 1400 CB GLN A 93 12.822 8.954 -8.954 1.00 0.00 C ATOM 1401 CG GLN A 93 11.427 8.381 -8.696 1.00 0.00 C ATOM 1402 CD GLN A 93 10.348 9.443 -8.919 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.484 10.342 -9.732 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.271 9.289 -8.154 1.00 0.00 N ATOM 0 H GLN A 93 13.554 6.649 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 93 13.218 7.913 -10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.318 9.156 -8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.737 9.906 -9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.250 7.533 -9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.367 8.006 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.222 8.514 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.495 9.946 -8.228 1.00 0.00 H new ATOM 1413 N VAL A 94 15.839 8.444 -8.840 1.00 0.00 N ATOM 1414 CA VAL A 94 17.218 8.902 -8.843 1.00 0.00 C ATOM 1415 C VAL A 94 17.990 8.177 -9.947 1.00 0.00 C ATOM 1416 O VAL A 94 19.015 8.667 -10.418 1.00 0.00 O ATOM 1417 CB VAL A 94 17.836 8.709 -7.456 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.025 9.445 -6.388 1.00 0.00 C ATOM 1419 CG2 VAL A 94 17.970 7.223 -7.117 1.00 0.00 C ATOM 0 H VAL A 94 15.510 8.087 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 94 17.265 9.969 -9.061 1.00 0.00 H new ATOM 0 HB VAL A 94 18.837 9.140 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.485 9.292 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.005 10.511 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.006 9.058 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.412 7.114 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 94 16.985 6.757 -7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.609 6.738 -7.855 1.00 0.00 H new ATOM 1429 N ASN A 95 17.468 7.021 -10.329 1.00 0.00 N ATOM 1430 CA ASN A 95 18.095 6.223 -11.369 1.00 0.00 C ATOM 1431 C ASN A 95 17.604 6.701 -12.737 1.00 0.00 C ATOM 1432 O ASN A 95 18.408 7.044 -13.604 1.00 0.00 O ATOM 1433 CB ASN A 95 17.729 4.745 -11.226 1.00 0.00 C ATOM 1434 CG ASN A 95 18.738 4.014 -10.337 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.374 3.053 -10.736 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.847 4.521 -9.112 1.00 0.00 N ATOM 0 H ASN A 95 16.617 6.617 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 95 19.175 6.337 -11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.730 4.654 -10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.700 4.277 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.493 4.103 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.284 5.328 -8.842 1.00 0.00 H new ATOM 1443 N GLY A 96 16.288 6.708 -12.889 1.00 0.00 N ATOM 1444 CA GLY A 96 15.681 7.138 -14.138 1.00 0.00 C ATOM 1445 C GLY A 96 14.455 6.286 -14.473 1.00 0.00 C ATOM 1446 O GLY A 96 13.470 6.793 -15.008 1.00 0.00 O ATOM 0 H GLY A 96 15.625 6.423 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.391 8.186 -14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.410 7.066 -14.945 1.00 0.00 H new ATOM 1450 N GLN A 97 14.555 5.007 -14.144 1.00 0.00 N ATOM 1451 CA GLN A 97 13.466 4.080 -14.403 1.00 0.00 C ATOM 1452 C GLN A 97 12.152 4.639 -13.856 1.00 0.00 C ATOM 1453 O GLN A 97 12.157 5.489 -12.967 1.00 0.00 O ATOM 1454 CB GLN A 97 13.766 2.702 -13.810 1.00 0.00 C ATOM 1455 CG GLN A 97 15.055 2.122 -14.395 1.00 0.00 C ATOM 1456 CD GLN A 97 14.963 0.599 -14.521 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.231 0.061 -15.335 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.745 -0.062 -13.672 1.00 0.00 N ATOM 0 H GLN A 97 15.373 4.590 -13.700 1.00 0.00 H new ATOM 0 HA GLN A 97 13.365 3.960 -15.482 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.857 2.780 -12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.935 2.027 -14.012 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.244 2.561 -15.375 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.899 2.388 -13.759 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.334 0.451 -13.016 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.756 -1.082 -13.677 1.00 0.00 H new ATOM 1467 N LEU A 98 11.057 4.139 -14.409 1.00 0.00 N ATOM 1468 CA LEU A 98 9.737 4.578 -13.987 1.00 0.00 C ATOM 1469 C LEU A 98 9.368 3.881 -12.676 1.00 0.00 C ATOM 1470 O LEU A 98 9.833 2.775 -12.404 1.00 0.00 O ATOM 1471 CB LEU A 98 8.717 4.362 -15.107 1.00 0.00 C ATOM 1472 CG LEU A 98 8.637 5.465 -16.163 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.956 4.958 -17.436 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.949 6.712 -15.603 1.00 0.00 C ATOM 0 H LEU A 98 11.056 3.434 -15.146 1.00 0.00 H new ATOM 0 HA LEU A 98 9.737 5.650 -13.790 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.951 3.423 -15.608 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.731 4.246 -14.656 1.00 0.00 H new ATOM 0 HG LEU A 98 9.653 5.752 -16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.912 5.762 -18.170 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.525 4.123 -17.845 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.945 4.627 -17.200 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.905 7.481 -16.374 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.937 6.458 -15.286 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.514 7.087 -14.749 1.00 0.00 H new ATOM 1486 N ILE A 99 8.535 4.556 -11.898 1.00 0.00 N ATOM 1487 CA ILE A 99 8.098 4.016 -10.622 1.00 0.00 C ATOM 1488 C ILE A 99 7.042 2.937 -10.865 1.00 0.00 C ATOM 1489 O ILE A 99 6.422 2.898 -11.927 1.00 0.00 O ATOM 1490 CB ILE A 99 7.628 5.140 -9.697 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.717 6.201 -9.524 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.153 4.582 -8.354 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.927 5.628 -8.784 1.00 0.00 C ATOM 0 H ILE A 99 8.151 5.473 -12.127 1.00 0.00 H new ATOM 0 HA ILE A 99 8.930 3.537 -10.106 1.00 0.00 H new ATOM 0 HB ILE A 99 6.773 5.630 -10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.026 6.573 -10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.317 7.051 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.824 5.402 -7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.323 3.895 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.973 4.051 -7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.686 6.402 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.619 5.279 -7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.339 4.794 -9.352 1.00 0.00 H new ATOM 1505 N GLU A 100 6.868 2.087 -9.863 1.00 0.00 N ATOM 1506 CA GLU A 100 5.897 1.010 -9.955 1.00 0.00 C ATOM 1507 C GLU A 100 4.883 1.112 -8.814 1.00 0.00 C ATOM 1508 O GLU A 100 5.209 1.589 -7.729 1.00 0.00 O ATOM 1509 CB GLU A 100 6.590 -0.354 -9.953 1.00 0.00 C ATOM 1510 CG GLU A 100 7.061 -0.727 -8.546 1.00 0.00 C ATOM 1511 CD GLU A 100 8.392 -1.480 -8.596 1.00 0.00 C ATOM 1512 OE1 GLU A 100 8.340 -2.712 -8.802 1.00 0.00 O ATOM 1513 OE2 GLU A 100 9.432 -0.807 -8.426 1.00 0.00 O ATOM 0 H GLU A 100 7.383 2.123 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 100 5.363 1.108 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.904 -1.115 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.442 -0.334 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.172 0.175 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.307 -1.345 -8.058 1.00 0.00 H new ATOM 1520 N PRO A 101 3.640 0.644 -9.107 1.00 0.00 N ATOM 1521 CA PRO A 101 2.575 0.677 -8.118 1.00 0.00 C ATOM 1522 C PRO A 101 2.774 -0.411 -7.061 1.00 0.00 C ATOM 1523 O PRO A 101 3.157 -1.534 -7.386 1.00 0.00 O ATOM 1524 CB PRO A 101 1.293 0.504 -8.916 1.00 0.00 C ATOM 1525 CG PRO A 101 1.710 -0.083 -10.254 1.00 0.00 C ATOM 1526 CD PRO A 101 3.217 0.072 -10.382 1.00 0.00 C ATOM 0 HA PRO A 101 2.554 1.609 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.598 -0.157 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.785 1.459 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.428 -1.134 -10.314 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.203 0.430 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.700 -0.888 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.479 0.724 -11.215 1.00 0.00 H new ATOM 1534 N LEU A 102 2.505 -0.040 -5.818 1.00 0.00 N ATOM 1535 CA LEU A 102 2.649 -0.970 -4.712 1.00 0.00 C ATOM 1536 C LEU A 102 1.786 -2.206 -4.974 1.00 0.00 C ATOM 1537 O LEU A 102 0.638 -2.270 -4.535 1.00 0.00 O ATOM 1538 CB LEU A 102 2.342 -0.275 -3.384 1.00 0.00 C ATOM 1539 CG LEU A 102 2.577 -1.107 -2.121 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.957 -1.768 -2.150 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.372 -0.262 -0.862 1.00 0.00 C ATOM 0 H LEU A 102 2.188 0.892 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 102 3.681 -1.313 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.951 0.627 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.300 0.044 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 102 1.837 -1.907 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.099 -2.353 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.029 -2.423 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.727 -0.999 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.545 -0.877 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.073 0.573 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.352 0.121 -0.843 1.00 0.00 H new ATOM 1553 N GLN A 103 2.370 -3.156 -5.688 1.00 0.00 N ATOM 1554 CA GLN A 103 1.668 -4.386 -6.014 1.00 0.00 C ATOM 1555 C GLN A 103 1.439 -5.217 -4.750 1.00 0.00 C ATOM 1556 O GLN A 103 2.366 -5.844 -4.239 1.00 0.00 O ATOM 1557 CB GLN A 103 2.432 -5.190 -7.068 1.00 0.00 C ATOM 1558 CG GLN A 103 1.612 -6.393 -7.540 1.00 0.00 C ATOM 1559 CD GLN A 103 2.339 -7.149 -8.655 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.295 -6.671 -9.242 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.833 -8.351 -8.912 1.00 0.00 N ATOM 0 H GLN A 103 3.322 -3.099 -6.050 1.00 0.00 H new ATOM 0 HA GLN A 103 0.697 -4.127 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.668 -4.550 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.380 -5.532 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.428 -7.064 -6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.639 -6.056 -7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.030 -8.690 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.247 -8.934 -9.639 1.00 0.00 H new ATOM 1570 N ILE A 104 0.200 -5.196 -4.282 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.163 -5.939 -3.088 1.00 0.00 C ATOM 1572 C ILE A 104 -1.175 -7.026 -3.457 1.00 0.00 C ATOM 1573 O ILE A 104 -1.752 -6.999 -4.542 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.652 -4.989 -1.993 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.964 -4.315 -2.398 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.429 -3.969 -1.629 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.630 -3.644 -1.196 1.00 0.00 C ATOM 0 H ILE A 104 -0.566 -4.675 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 104 0.710 -6.443 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.855 -5.576 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.772 -3.573 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.640 -5.055 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.056 -3.306 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.315 -4.491 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.687 -3.382 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.561 -3.173 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.843 -4.393 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.961 -2.888 -0.785 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.358 -7.957 -2.532 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.291 -9.051 -2.746 1.00 0.00 C ATOM 1591 C PHE A 105 -3.179 -9.263 -1.518 1.00 0.00 C ATOM 1592 O PHE A 105 -2.679 -9.400 -0.403 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.455 -10.311 -2.980 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.459 -10.191 -4.135 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.745 -9.591 -3.935 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.777 -10.685 -5.362 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.670 -9.480 -5.007 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.148 -10.574 -6.433 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.352 -9.974 -6.233 1.00 0.00 C ATOM 0 H PHE A 105 -0.876 -7.977 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.938 -8.828 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.910 -10.548 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.125 -11.148 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.998 -9.199 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.733 -11.162 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.626 -9.003 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.104 -10.966 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.055 -9.890 -7.048 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.515 -9.283 -1.772 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.477 -9.476 -0.700 1.00 0.00 C ATOM 1611 C PRO A 106 -5.505 -10.937 -0.245 1.00 0.00 C ATOM 1612 O PRO A 106 -6.104 -11.785 -0.906 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.804 -9.007 -1.274 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.628 -9.006 -2.784 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.142 -9.124 -3.080 1.00 0.00 C ATOM 0 HA PRO A 106 -5.225 -8.912 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.615 -9.671 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.057 -8.011 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.174 -9.836 -3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.031 -8.090 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.933 -9.977 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.769 -8.238 -3.593 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.851 -11.186 0.880 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.794 -12.529 1.430 1.00 0.00 C ATOM 1625 C ARG A 107 -6.207 -13.074 1.648 1.00 0.00 C ATOM 1626 O ARG A 107 -6.866 -12.728 2.627 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.038 -12.547 2.760 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.739 -13.347 2.641 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.385 -14.019 3.969 1.00 0.00 C ATOM 1630 NE ARG A 107 -3.238 -15.210 4.177 1.00 0.00 N ATOM 1631 CZ ARG A 107 -3.117 -16.351 3.485 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -2.177 -16.463 2.537 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -3.936 -17.380 3.742 1.00 0.00 N ATOM 0 H ARG A 107 -4.356 -10.480 1.425 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.264 -13.158 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.814 -11.526 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.668 -12.983 3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.844 -14.103 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.927 -12.686 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.334 -14.309 3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.522 -13.315 4.790 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.964 -15.159 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.553 -15.680 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.085 -17.332 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.651 -17.295 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.844 -18.249 3.215 1.00 0.00 H new ATOM 1647 N SER A 108 -6.631 -13.918 0.718 1.00 0.00 N ATOM 1648 CA SER A 108 -7.954 -14.514 0.796 1.00 0.00 C ATOM 1649 C SER A 108 -7.890 -15.829 1.575 1.00 0.00 C ATOM 1650 O SER A 108 -7.203 -16.764 1.167 1.00 0.00 O ATOM 1651 CB SER A 108 -8.534 -14.752 -0.600 1.00 0.00 C ATOM 1652 OG SER A 108 -7.727 -15.640 -1.369 1.00 0.00 O ATOM 0 H SER A 108 -6.082 -14.203 -0.093 1.00 0.00 H new ATOM 0 HA SER A 108 -8.611 -13.820 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.540 -15.162 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.624 -13.800 -1.122 1.00 0.00 H new ATOM 0 HG SER A 108 -7.236 -16.239 -0.768 1.00 0.00 H new ATOM 1658 N GLY A 109 -8.615 -15.859 2.684 1.00 0.00 N ATOM 1659 CA GLY A 109 -8.650 -17.044 3.524 1.00 0.00 C ATOM 1660 C GLY A 109 -9.285 -16.735 4.881 1.00 0.00 C ATOM 1661 O GLY A 109 -9.460 -15.571 5.239 1.00 0.00 O ATOM 0 H GLY A 109 -9.183 -15.081 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.215 -17.831 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.638 -17.421 3.669 1.00 0.00 H new ATOM 1665 N PRO A 110 -9.622 -17.826 5.620 1.00 0.00 N ATOM 1666 CA PRO A 110 -10.235 -17.684 6.929 1.00 0.00 C ATOM 1667 C PRO A 110 -9.202 -17.254 7.974 1.00 0.00 C ATOM 1668 O PRO A 110 -8.017 -17.553 7.839 1.00 0.00 O ATOM 1669 CB PRO A 110 -10.850 -19.042 7.226 1.00 0.00 C ATOM 1670 CG PRO A 110 -10.164 -20.023 6.289 1.00 0.00 C ATOM 1671 CD PRO A 110 -9.431 -19.220 5.228 1.00 0.00 C ATOM 0 HA PRO A 110 -10.996 -16.904 6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.694 -19.322 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -11.927 -19.029 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.466 -20.653 6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.896 -20.686 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.373 -19.481 5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.838 -19.411 4.235 1.00 0.00 H new ATOM 1679 N SER A 111 -9.691 -16.559 8.991 1.00 0.00 N ATOM 1680 CA SER A 111 -8.825 -16.085 10.057 1.00 0.00 C ATOM 1681 C SER A 111 -9.370 -16.537 11.413 1.00 0.00 C ATOM 1682 O SER A 111 -8.696 -17.259 12.147 1.00 0.00 O ATOM 1683 CB SER A 111 -8.690 -14.561 10.021 1.00 0.00 C ATOM 1684 OG SER A 111 -8.332 -14.088 8.725 1.00 0.00 O ATOM 0 H SER A 111 -10.675 -16.313 9.099 1.00 0.00 H new ATOM 0 HA SER A 111 -7.834 -16.514 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 111 -9.633 -14.106 10.326 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.936 -14.246 10.743 1.00 0.00 H new ATOM 0 HG SER A 111 -8.257 -13.111 8.742 1.00 0.00 H new ATOM 1690 N SER A 112 -10.584 -16.095 11.705 1.00 0.00 N ATOM 1691 CA SER A 112 -11.227 -16.445 12.960 1.00 0.00 C ATOM 1692 C SER A 112 -12.124 -17.669 12.765 1.00 0.00 C ATOM 1693 O SER A 112 -11.925 -18.698 13.408 1.00 0.00 O ATOM 1694 CB SER A 112 -12.041 -15.272 13.508 1.00 0.00 C ATOM 1695 OG SER A 112 -12.164 -15.324 14.927 1.00 0.00 O ATOM 0 H SER A 112 -11.140 -15.497 11.094 1.00 0.00 H new ATOM 0 HA SER A 112 -10.451 -16.684 13.687 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.565 -14.335 13.219 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.034 -15.278 13.058 1.00 0.00 H new ATOM 0 HG SER A 112 -12.689 -14.557 15.238 1.00 0.00 H new ATOM 1701 N GLY A 113 -13.093 -17.517 11.873 1.00 0.00 N ATOM 1702 CA GLY A 113 -14.021 -18.596 11.585 1.00 0.00 C ATOM 1703 C GLY A 113 -15.455 -18.195 11.937 1.00 0.00 C ATOM 1704 O GLY A 113 -16.410 -18.758 11.403 1.00 0.00 O ATOM 0 H GLY A 113 -13.255 -16.662 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.962 -18.859 10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.739 -19.484 12.151 1.00 0.00 H new TER 1708 GLY A 113