USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 72 THR OG1 : rot 170:sc=-0.00889 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.902 X(o=-0.91,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0822 (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 40:sc= 0.813 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 8 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.077) USER MOD Single : A 13 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.02) USER MOD Single : A 15 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.07) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.2 USER MOD Single : A 29 GLN : amide:sc=-0.00765 X(o=-0.0077,f=0) USER MOD Single : A 30 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -0.549 K(o=-0.55,f=0.02) USER MOD Single : A 37 GLN : amide:sc= -2.65 K(o=-2.7,f=-3.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0682) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00914 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 167:sc= -2.26 (180deg=-3.12!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.087 0.978 34.601 1.00 0.00 N ATOM 2 CA GLY A 1 0.281 1.347 34.284 1.00 0.00 C ATOM 3 C GLY A 1 1.008 0.267 33.509 1.00 0.00 C ATOM 4 O GLY A 1 0.390 -0.681 33.023 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.738 1.685 34.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.298 0.045 34.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.206 0.940 35.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.280 2.269 33.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.822 1.553 35.208 1.00 0.00 H new ATOM 8 N SER A 2 2.324 0.409 33.391 1.00 0.00 N ATOM 9 CA SER A 2 3.136 -0.560 32.664 1.00 0.00 C ATOM 10 C SER A 2 2.837 -0.505 31.168 1.00 0.00 C ATOM 11 O SER A 2 2.726 -1.538 30.508 1.00 0.00 O ATOM 12 CB SER A 2 2.880 -1.972 33.195 1.00 0.00 C ATOM 13 OG SER A 2 3.995 -2.814 32.960 1.00 0.00 O ATOM 0 H SER A 2 2.851 1.186 33.790 1.00 0.00 H new ATOM 0 HA SER A 2 4.185 -0.306 32.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.671 -1.930 34.264 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.996 -2.390 32.714 1.00 0.00 H new ATOM 0 HG SER A 2 3.808 -3.710 33.310 1.00 0.00 H new ATOM 19 N SER A 3 2.710 0.709 30.641 1.00 0.00 N ATOM 20 CA SER A 3 2.421 0.900 29.225 1.00 0.00 C ATOM 21 C SER A 3 3.668 1.354 28.472 1.00 0.00 C ATOM 22 O SER A 3 4.319 2.324 28.856 1.00 0.00 O ATOM 23 CB SER A 3 1.301 1.926 29.045 1.00 0.00 C ATOM 24 OG SER A 3 0.068 1.428 29.536 1.00 0.00 O ATOM 0 H SER A 3 2.803 1.574 31.173 1.00 0.00 H new ATOM 0 HA SER A 3 2.098 -0.056 28.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.559 2.846 29.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.200 2.178 27.989 1.00 0.00 H new ATOM 0 HG SER A 3 -0.631 2.104 29.411 1.00 0.00 H new ATOM 30 N GLY A 4 3.994 0.644 27.396 1.00 0.00 N ATOM 31 CA GLY A 4 5.161 0.988 26.606 1.00 0.00 C ATOM 32 C GLY A 4 5.788 -0.221 25.940 1.00 0.00 C ATOM 33 O GLY A 4 5.280 -1.336 26.060 1.00 0.00 O ATOM 0 H GLY A 4 3.470 -0.163 27.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.878 1.713 25.843 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.900 1.470 27.246 1.00 0.00 H new ATOM 37 N SER A 5 6.892 0.000 25.235 1.00 0.00 N ATOM 38 CA SER A 5 7.586 -1.080 24.542 1.00 0.00 C ATOM 39 C SER A 5 8.866 -1.464 25.278 1.00 0.00 C ATOM 40 O SER A 5 9.893 -0.800 25.148 1.00 0.00 O ATOM 41 CB SER A 5 7.914 -0.666 23.107 1.00 0.00 C ATOM 42 OG SER A 5 8.731 0.492 23.085 1.00 0.00 O ATOM 0 H SER A 5 7.326 0.917 25.128 1.00 0.00 H new ATOM 0 HA SER A 5 6.926 -1.947 24.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.423 -1.484 22.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.991 -0.474 22.560 1.00 0.00 H new ATOM 0 HG SER A 5 9.395 0.438 23.804 1.00 0.00 H new ATOM 48 N SER A 6 8.794 -2.542 26.053 1.00 0.00 N ATOM 49 CA SER A 6 9.945 -3.014 26.814 1.00 0.00 C ATOM 50 C SER A 6 11.028 -3.553 25.883 1.00 0.00 C ATOM 51 O SER A 6 12.125 -3.895 26.322 1.00 0.00 O ATOM 52 CB SER A 6 9.519 -4.101 27.803 1.00 0.00 C ATOM 53 OG SER A 6 8.501 -4.920 27.253 1.00 0.00 O ATOM 0 H SER A 6 7.951 -3.104 26.170 1.00 0.00 H new ATOM 0 HA SER A 6 10.354 -2.169 27.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.380 -4.714 28.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.161 -3.640 28.724 1.00 0.00 H new ATOM 0 HG SER A 6 8.247 -5.608 27.903 1.00 0.00 H new ATOM 59 N GLY A 7 10.709 -3.627 24.595 1.00 0.00 N ATOM 60 CA GLY A 7 11.663 -4.125 23.621 1.00 0.00 C ATOM 61 C GLY A 7 10.997 -4.893 22.497 1.00 0.00 C ATOM 62 O GLY A 7 9.847 -5.316 22.620 1.00 0.00 O ATOM 0 H GLY A 7 9.807 -3.351 24.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.222 -3.287 23.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.384 -4.772 24.121 1.00 0.00 H new ATOM 66 N HIS A 8 11.720 -5.072 21.396 1.00 0.00 N ATOM 67 CA HIS A 8 11.191 -5.794 20.243 1.00 0.00 C ATOM 68 C HIS A 8 12.322 -6.293 19.349 1.00 0.00 C ATOM 69 O HIS A 8 13.495 -6.032 19.614 1.00 0.00 O ATOM 70 CB HIS A 8 10.249 -4.895 19.441 1.00 0.00 C ATOM 71 CG HIS A 8 10.827 -3.549 19.129 1.00 0.00 C ATOM 72 ND1 HIS A 8 10.064 -2.404 19.042 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.103 -3.169 18.883 1.00 0.00 C ATOM 74 CE1 HIS A 8 10.844 -1.378 18.755 1.00 0.00 C ATOM 75 NE2 HIS A 8 12.087 -1.815 18.654 1.00 0.00 N ATOM 0 H HIS A 8 12.673 -4.728 21.277 1.00 0.00 H new ATOM 0 HA HIS A 8 10.634 -6.657 20.609 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.990 -5.395 18.508 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.323 -4.763 20.000 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.971 -3.811 18.869 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.521 -0.356 18.625 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.902 -1.240 18.441 1.00 0.00 H new ATOM 84 N GLU A 9 11.960 -7.011 18.291 1.00 0.00 N ATOM 85 CA GLU A 9 12.946 -7.548 17.360 1.00 0.00 C ATOM 86 C GLU A 9 12.321 -7.797 15.990 1.00 0.00 C ATOM 87 O GLU A 9 11.100 -7.887 15.860 1.00 0.00 O ATOM 88 CB GLU A 9 13.541 -8.847 17.905 1.00 0.00 C ATOM 89 CG GLU A 9 14.628 -8.630 18.944 1.00 0.00 C ATOM 90 CD GLU A 9 15.381 -9.903 19.276 1.00 0.00 C ATOM 91 OE1 GLU A 9 14.759 -10.986 19.249 1.00 0.00 O ATOM 92 OE2 GLU A 9 16.593 -9.817 19.564 1.00 0.00 O ATOM 0 H GLU A 9 10.993 -7.234 18.057 1.00 0.00 H new ATOM 0 HA GLU A 9 13.742 -6.812 17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.743 -9.445 18.345 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.952 -9.424 17.077 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.331 -7.882 18.578 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.181 -8.229 19.854 1.00 0.00 H new ATOM 99 N ARG A 10 13.167 -7.907 14.971 1.00 0.00 N ATOM 100 CA ARG A 10 12.698 -8.144 13.611 1.00 0.00 C ATOM 101 C ARG A 10 12.787 -9.625 13.256 1.00 0.00 C ATOM 102 O ARG A 10 13.804 -10.274 13.502 1.00 0.00 O ATOM 103 CB ARG A 10 13.517 -7.320 12.616 1.00 0.00 C ATOM 104 CG ARG A 10 12.838 -7.141 11.268 1.00 0.00 C ATOM 105 CD ARG A 10 11.764 -6.065 11.324 1.00 0.00 C ATOM 106 NE ARG A 10 11.566 -5.422 10.028 1.00 0.00 N ATOM 107 CZ ARG A 10 12.458 -4.617 9.462 1.00 0.00 C ATOM 108 NH1 ARG A 10 13.605 -4.358 10.076 1.00 0.00 N ATOM 109 NH2 ARG A 10 12.205 -4.070 8.280 1.00 0.00 N ATOM 0 H ARG A 10 14.180 -7.836 15.061 1.00 0.00 H new ATOM 0 HA ARG A 10 11.654 -7.837 13.554 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.715 -6.338 13.047 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.483 -7.803 12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.582 -6.875 10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.393 -8.085 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.825 -6.507 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.042 -5.313 12.063 1.00 0.00 H new ATOM 0 HE ARG A 10 10.694 -5.601 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.803 -4.777 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.289 -3.740 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.324 -4.267 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.891 -3.452 7.847 1.00 0.00 H new ATOM 123 N VAL A 11 11.714 -10.154 12.676 1.00 0.00 N ATOM 124 CA VAL A 11 11.671 -11.558 12.286 1.00 0.00 C ATOM 125 C VAL A 11 11.494 -11.705 10.779 1.00 0.00 C ATOM 126 O VAL A 11 10.567 -11.146 10.194 1.00 0.00 O ATOM 127 CB VAL A 11 10.528 -12.304 13.000 1.00 0.00 C ATOM 128 CG1 VAL A 11 10.473 -13.756 12.549 1.00 0.00 C ATOM 129 CG2 VAL A 11 10.694 -12.212 14.510 1.00 0.00 C ATOM 0 H VAL A 11 10.864 -9.631 12.466 1.00 0.00 H new ATOM 0 HA VAL A 11 12.624 -11.998 12.582 1.00 0.00 H new ATOM 0 HB VAL A 11 9.584 -11.830 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.659 -14.266 13.064 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.303 -13.797 11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.417 -14.247 12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.878 -12.744 14.999 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.645 -12.660 14.800 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.678 -11.166 14.815 1.00 0.00 H new ATOM 139 N GLY A 12 12.391 -12.462 10.154 1.00 0.00 N ATOM 140 CA GLY A 12 12.317 -12.670 8.720 1.00 0.00 C ATOM 141 C GLY A 12 13.105 -11.634 7.943 1.00 0.00 C ATOM 142 O GLY A 12 13.403 -10.557 8.457 1.00 0.00 O ATOM 0 H GLY A 12 13.168 -12.935 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.694 -13.664 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.274 -12.640 8.405 1.00 0.00 H new ATOM 146 N ASN A 13 13.445 -11.961 6.700 1.00 0.00 N ATOM 147 CA ASN A 13 14.205 -11.051 5.851 1.00 0.00 C ATOM 148 C ASN A 13 13.356 -10.560 4.682 1.00 0.00 C ATOM 149 O ASN A 13 12.400 -11.221 4.274 1.00 0.00 O ATOM 150 CB ASN A 13 15.464 -11.744 5.326 1.00 0.00 C ATOM 151 CG ASN A 13 16.525 -10.755 4.882 1.00 0.00 C ATOM 152 OD1 ASN A 13 16.961 -10.770 3.730 1.00 0.00 O ATOM 153 ND2 ASN A 13 16.947 -9.889 5.796 1.00 0.00 N ATOM 0 H ASN A 13 13.206 -12.849 6.259 1.00 0.00 H new ATOM 0 HA ASN A 13 14.496 -10.189 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.874 -12.387 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.198 -12.388 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.660 -9.200 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.558 -9.912 6.739 1.00 0.00 H new ATOM 160 N LEU A 14 13.712 -9.397 4.147 1.00 0.00 N ATOM 161 CA LEU A 14 12.984 -8.817 3.025 1.00 0.00 C ATOM 162 C LEU A 14 13.912 -8.583 1.836 1.00 0.00 C ATOM 163 O LEU A 14 14.671 -7.616 1.810 1.00 0.00 O ATOM 164 CB LEU A 14 12.330 -7.498 3.442 1.00 0.00 C ATOM 165 CG LEU A 14 11.289 -6.930 2.477 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.890 -6.745 1.092 1.00 0.00 C ATOM 167 CD2 LEU A 14 10.069 -7.838 2.414 1.00 0.00 C ATOM 0 H LEU A 14 14.500 -8.838 4.473 1.00 0.00 H new ATOM 0 HA LEU A 14 12.208 -9.521 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.856 -7.642 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.115 -6.754 3.578 1.00 0.00 H new ATOM 0 HG LEU A 14 10.973 -5.955 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.135 -6.340 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.732 -6.055 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.235 -7.707 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.338 -7.418 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.369 -8.827 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.625 -7.920 3.406 1.00 0.00 H new ATOM 179 N ASN A 15 13.842 -9.476 0.854 1.00 0.00 N ATOM 180 CA ASN A 15 14.675 -9.366 -0.339 1.00 0.00 C ATOM 181 C ASN A 15 14.123 -8.311 -1.292 1.00 0.00 C ATOM 182 O ASN A 15 14.878 -7.538 -1.882 1.00 0.00 O ATOM 183 CB ASN A 15 14.762 -10.718 -1.051 1.00 0.00 C ATOM 184 CG ASN A 15 15.022 -11.862 -0.090 1.00 0.00 C ATOM 185 OD1 ASN A 15 14.094 -12.540 0.351 1.00 0.00 O ATOM 186 ND2 ASN A 15 16.290 -12.081 0.240 1.00 0.00 N ATOM 0 H ASN A 15 13.218 -10.283 0.860 1.00 0.00 H new ATOM 0 HA ASN A 15 15.674 -9.061 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.832 -10.903 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.558 -10.683 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.526 -12.836 0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.027 -11.494 -0.150 1.00 0.00 H new ATOM 193 N GLN A 16 12.802 -8.286 -1.438 1.00 0.00 N ATOM 194 CA GLN A 16 12.149 -7.326 -2.319 1.00 0.00 C ATOM 195 C GLN A 16 10.798 -6.899 -1.755 1.00 0.00 C ATOM 196 O GLN A 16 10.129 -7.650 -1.046 1.00 0.00 O ATOM 197 CB GLN A 16 11.966 -7.925 -3.715 1.00 0.00 C ATOM 198 CG GLN A 16 13.268 -8.370 -4.361 1.00 0.00 C ATOM 199 CD GLN A 16 13.055 -9.025 -5.712 1.00 0.00 C ATOM 200 OE1 GLN A 16 12.090 -8.725 -6.415 1.00 0.00 O ATOM 201 NE2 GLN A 16 13.957 -9.926 -6.082 1.00 0.00 N ATOM 0 H GLN A 16 12.163 -8.920 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 16 12.787 -6.445 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.292 -8.779 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.485 -7.188 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.924 -7.508 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.777 -9.070 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.742 -10.144 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.865 -10.400 -6.980 1.00 0.00 H new ATOM 210 N PRO A 17 10.386 -5.664 -2.076 1.00 0.00 N ATOM 211 CA PRO A 17 9.111 -5.109 -1.612 1.00 0.00 C ATOM 212 C PRO A 17 7.911 -5.786 -2.266 1.00 0.00 C ATOM 213 O PRO A 17 8.069 -6.661 -3.118 1.00 0.00 O ATOM 214 CB PRO A 17 9.190 -3.639 -2.030 1.00 0.00 C ATOM 215 CG PRO A 17 10.130 -3.624 -3.185 1.00 0.00 C ATOM 216 CD PRO A 17 11.132 -4.713 -2.918 1.00 0.00 C ATOM 0 HA PRO A 17 8.969 -5.254 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.210 -3.254 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.555 -3.015 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.601 -3.802 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.621 -2.655 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.476 -5.178 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.015 -4.330 -2.406 1.00 0.00 H new ATOM 224 N ILE A 18 6.713 -5.375 -1.864 1.00 0.00 N ATOM 225 CA ILE A 18 5.488 -5.941 -2.414 1.00 0.00 C ATOM 226 C ILE A 18 4.648 -4.870 -3.101 1.00 0.00 C ATOM 227 O ILE A 18 4.808 -3.679 -2.839 1.00 0.00 O ATOM 228 CB ILE A 18 4.641 -6.618 -1.320 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.546 -7.310 -0.299 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.675 -7.616 -1.941 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.825 -7.720 0.966 1.00 0.00 C ATOM 0 H ILE A 18 6.565 -4.652 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 18 5.787 -6.690 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 18 4.061 -5.853 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.989 -8.194 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.366 -6.641 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.083 -8.086 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.012 -7.098 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.237 -8.380 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.527 -8.204 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.405 -6.837 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.022 -8.414 0.718 1.00 0.00 H new ATOM 243 N GLU A 19 3.751 -5.304 -3.981 1.00 0.00 N ATOM 244 CA GLU A 19 2.884 -4.381 -4.706 1.00 0.00 C ATOM 245 C GLU A 19 1.422 -4.594 -4.324 1.00 0.00 C ATOM 246 O GLU A 19 0.897 -5.703 -4.429 1.00 0.00 O ATOM 247 CB GLU A 19 3.060 -4.560 -6.215 1.00 0.00 C ATOM 248 CG GLU A 19 4.154 -3.688 -6.808 1.00 0.00 C ATOM 249 CD GLU A 19 4.241 -3.807 -8.318 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.554 -3.030 -9.014 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.996 -4.676 -8.802 1.00 0.00 O ATOM 0 H GLU A 19 3.605 -6.287 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 19 3.168 -3.365 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.287 -5.605 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.117 -4.333 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.970 -2.648 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.113 -3.966 -6.370 1.00 0.00 H new ATOM 258 N VAL A 20 0.771 -3.524 -3.880 1.00 0.00 N ATOM 259 CA VAL A 20 -0.631 -3.593 -3.483 1.00 0.00 C ATOM 260 C VAL A 20 -1.437 -2.463 -4.114 1.00 0.00 C ATOM 261 O VAL A 20 -0.885 -1.433 -4.503 1.00 0.00 O ATOM 262 CB VAL A 20 -0.784 -3.525 -1.952 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.157 -4.747 -1.298 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.166 -2.244 -1.412 1.00 0.00 C ATOM 0 H VAL A 20 1.191 -2.599 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.014 -4.550 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.847 -3.519 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.275 -4.681 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.650 -5.648 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.904 -4.788 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.283 -2.212 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.894 -2.217 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.666 -1.383 -1.856 1.00 0.00 H new ATOM 274 N THR A 21 -2.747 -2.662 -4.213 1.00 0.00 N ATOM 275 CA THR A 21 -3.630 -1.661 -4.798 1.00 0.00 C ATOM 276 C THR A 21 -4.539 -1.045 -3.740 1.00 0.00 C ATOM 277 O THR A 21 -5.293 -1.749 -3.070 1.00 0.00 O ATOM 278 CB THR A 21 -4.500 -2.264 -5.917 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.667 -2.876 -6.908 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.365 -1.194 -6.566 1.00 0.00 C ATOM 0 H THR A 21 -3.220 -3.508 -3.895 1.00 0.00 H new ATOM 0 HA THR A 21 -2.992 -0.886 -5.222 1.00 0.00 H new ATOM 0 HB THR A 21 -5.152 -3.017 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.227 -3.259 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.970 -1.644 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.018 -0.749 -5.815 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.727 -0.422 -6.995 1.00 0.00 H new ATOM 288 N ALA A 22 -4.463 0.274 -3.597 1.00 0.00 N ATOM 289 CA ALA A 22 -5.281 0.985 -2.622 1.00 0.00 C ATOM 290 C ALA A 22 -6.765 0.851 -2.949 1.00 0.00 C ATOM 291 O ALA A 22 -7.265 1.481 -3.882 1.00 0.00 O ATOM 292 CB ALA A 22 -4.881 2.452 -2.567 1.00 0.00 C ATOM 0 H ALA A 22 -3.843 0.872 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.109 0.536 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.500 2.971 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.833 2.533 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.023 2.905 -3.548 1.00 0.00 H new ATOM 298 N LEU A 23 -7.464 0.027 -2.177 1.00 0.00 N ATOM 299 CA LEU A 23 -8.891 -0.191 -2.384 1.00 0.00 C ATOM 300 C LEU A 23 -9.672 1.107 -2.201 1.00 0.00 C ATOM 301 O LEU A 23 -10.681 1.335 -2.868 1.00 0.00 O ATOM 302 CB LEU A 23 -9.411 -1.253 -1.415 1.00 0.00 C ATOM 303 CG LEU A 23 -8.639 -2.573 -1.388 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.218 -3.509 -0.338 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.660 -3.231 -2.760 1.00 0.00 C ATOM 0 H LEU A 23 -7.065 -0.502 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.035 -0.540 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.407 -0.832 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.450 -1.468 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.603 -2.360 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.656 -4.443 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.151 -3.040 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.263 -3.715 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.106 -4.169 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.691 -3.430 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.198 -2.566 -3.490 1.00 0.00 H new ATOM 317 N TYR A 24 -9.197 1.954 -1.295 1.00 0.00 N ATOM 318 CA TYR A 24 -9.850 3.229 -1.024 1.00 0.00 C ATOM 319 C TYR A 24 -8.821 4.338 -0.832 1.00 0.00 C ATOM 320 O TYR A 24 -7.672 4.080 -0.474 1.00 0.00 O ATOM 321 CB TYR A 24 -10.736 3.118 0.218 1.00 0.00 C ATOM 322 CG TYR A 24 -11.616 1.889 0.227 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.814 1.863 -0.477 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.251 0.753 0.939 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.621 0.742 -0.472 1.00 0.00 C ATOM 326 CE2 TYR A 24 -12.051 -0.372 0.949 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.236 -0.373 0.243 1.00 0.00 C ATOM 328 OH TYR A 24 -14.037 -1.492 0.251 1.00 0.00 O ATOM 0 H TYR A 24 -8.362 1.781 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.471 3.480 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.103 3.108 1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.365 4.005 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.119 2.734 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.325 0.750 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.549 0.739 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.751 -1.247 1.507 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.621 -2.188 0.801 1.00 0.00 H new ATOM 338 N SER A 25 -9.243 5.576 -1.072 1.00 0.00 N ATOM 339 CA SER A 25 -8.359 6.726 -0.928 1.00 0.00 C ATOM 340 C SER A 25 -8.018 6.970 0.539 1.00 0.00 C ATOM 341 O SER A 25 -8.737 6.532 1.436 1.00 0.00 O ATOM 342 CB SER A 25 -9.010 7.975 -1.526 1.00 0.00 C ATOM 343 OG SER A 25 -9.517 7.714 -2.823 1.00 0.00 O ATOM 0 H SER A 25 -10.192 5.808 -1.367 1.00 0.00 H new ATOM 0 HA SER A 25 -7.436 6.512 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.818 8.314 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.279 8.783 -1.573 1.00 0.00 H new ATOM 0 HG SER A 25 -9.929 8.527 -3.183 1.00 0.00 H new ATOM 349 N PHE A 26 -6.914 7.672 0.774 1.00 0.00 N ATOM 350 CA PHE A 26 -6.476 7.974 2.132 1.00 0.00 C ATOM 351 C PHE A 26 -5.687 9.280 2.171 1.00 0.00 C ATOM 352 O PHE A 26 -5.215 9.762 1.142 1.00 0.00 O ATOM 353 CB PHE A 26 -5.619 6.831 2.680 1.00 0.00 C ATOM 354 CG PHE A 26 -4.973 7.145 3.999 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.701 7.077 5.176 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.637 7.508 4.062 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.110 7.365 6.391 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.040 7.797 5.275 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.778 7.727 6.441 1.00 0.00 C ATOM 0 H PHE A 26 -6.307 8.042 0.043 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.362 8.086 2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.241 5.943 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.844 6.588 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.743 6.795 5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.056 7.566 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.689 7.307 7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.998 8.077 5.311 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.314 7.955 7.389 1.00 0.00 H new ATOM 369 N GLU A 27 -5.550 9.846 3.366 1.00 0.00 N ATOM 370 CA GLU A 27 -4.819 11.096 3.539 1.00 0.00 C ATOM 371 C GLU A 27 -4.035 11.092 4.848 1.00 0.00 C ATOM 372 O GLU A 27 -4.608 11.233 5.928 1.00 0.00 O ATOM 373 CB GLU A 27 -5.784 12.283 3.514 1.00 0.00 C ATOM 374 CG GLU A 27 -6.398 12.540 2.148 1.00 0.00 C ATOM 375 CD GLU A 27 -7.168 13.845 2.090 1.00 0.00 C ATOM 376 OE1 GLU A 27 -6.541 14.891 1.821 1.00 0.00 O ATOM 377 OE2 GLU A 27 -8.396 13.821 2.313 1.00 0.00 O ATOM 0 H GLU A 27 -5.935 9.459 4.228 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.113 11.192 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.583 12.106 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.254 13.178 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.609 12.554 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.066 11.717 1.893 1.00 0.00 H new ATOM 384 N GLY A 28 -2.720 10.927 4.743 1.00 0.00 N ATOM 385 CA GLY A 28 -1.878 10.906 5.924 1.00 0.00 C ATOM 386 C GLY A 28 -2.162 12.066 6.859 1.00 0.00 C ATOM 387 O GLY A 28 -1.722 13.189 6.615 1.00 0.00 O ATOM 0 H GLY A 28 -2.223 10.807 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.029 9.968 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.831 10.935 5.621 1.00 0.00 H new ATOM 391 N GLN A 29 -2.900 11.793 7.930 1.00 0.00 N ATOM 392 CA GLN A 29 -3.243 12.824 8.903 1.00 0.00 C ATOM 393 C GLN A 29 -1.997 13.334 9.618 1.00 0.00 C ATOM 394 O GLN A 29 -1.909 14.512 9.966 1.00 0.00 O ATOM 395 CB GLN A 29 -4.244 12.278 9.923 1.00 0.00 C ATOM 396 CG GLN A 29 -5.560 11.832 9.306 1.00 0.00 C ATOM 397 CD GLN A 29 -6.642 11.603 10.343 1.00 0.00 C ATOM 398 OE1 GLN A 29 -7.071 10.471 10.570 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.091 12.679 10.978 1.00 0.00 N ATOM 0 H GLN A 29 -3.272 10.868 8.146 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.698 13.657 8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.793 11.435 10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.444 13.046 10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.897 12.586 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.400 10.912 8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.707 13.598 10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.820 12.587 11.686 1.00 0.00 H new ATOM 408 N GLN A 30 -1.037 12.441 9.835 1.00 0.00 N ATOM 409 CA GLN A 30 0.204 12.802 10.510 1.00 0.00 C ATOM 410 C GLN A 30 1.281 13.186 9.501 1.00 0.00 C ATOM 411 O GLN A 30 1.242 12.792 8.335 1.00 0.00 O ATOM 412 CB GLN A 30 0.692 11.642 11.379 1.00 0.00 C ATOM 413 CG GLN A 30 0.149 11.674 12.799 1.00 0.00 C ATOM 414 CD GLN A 30 0.944 12.591 13.707 1.00 0.00 C ATOM 415 OE1 GLN A 30 2.125 12.357 13.965 1.00 0.00 O ATOM 416 NE2 GLN A 30 0.299 13.643 14.198 1.00 0.00 N ATOM 0 H GLN A 30 -1.095 11.462 9.553 1.00 0.00 H new ATOM 0 HA GLN A 30 0.005 13.664 11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.404 10.701 10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.781 11.659 11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.891 12.001 12.779 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.158 10.665 13.210 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.680 13.799 13.958 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.783 14.295 14.815 1.00 0.00 H new ATOM 425 N PRO A 31 2.266 13.974 9.957 1.00 0.00 N ATOM 426 CA PRO A 31 3.372 14.428 9.110 1.00 0.00 C ATOM 427 C PRO A 31 4.320 13.294 8.736 1.00 0.00 C ATOM 428 O PRO A 31 5.330 13.510 8.067 1.00 0.00 O ATOM 429 CB PRO A 31 4.090 15.458 9.986 1.00 0.00 C ATOM 430 CG PRO A 31 3.762 15.060 11.384 1.00 0.00 C ATOM 431 CD PRO A 31 2.375 14.482 11.335 1.00 0.00 C ATOM 0 HA PRO A 31 3.019 14.828 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.166 15.444 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.745 16.470 9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.477 14.328 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.804 15.919 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.245 13.686 12.068 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.617 15.237 11.546 1.00 0.00 H new ATOM 439 N GLY A 32 3.988 12.083 9.173 1.00 0.00 N ATOM 440 CA GLY A 32 4.820 10.932 8.874 1.00 0.00 C ATOM 441 C GLY A 32 4.039 9.804 8.230 1.00 0.00 C ATOM 442 O GLY A 32 4.396 8.634 8.370 1.00 0.00 O ATOM 0 H GLY A 32 3.158 11.878 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.629 11.235 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.281 10.572 9.794 1.00 0.00 H new ATOM 446 N ASP A 33 2.970 10.154 7.523 1.00 0.00 N ATOM 447 CA ASP A 33 2.136 9.162 6.856 1.00 0.00 C ATOM 448 C ASP A 33 2.328 9.219 5.343 1.00 0.00 C ATOM 449 O ASP A 33 3.172 9.963 4.842 1.00 0.00 O ATOM 450 CB ASP A 33 0.663 9.385 7.204 1.00 0.00 C ATOM 451 CG ASP A 33 0.341 8.995 8.633 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.203 9.200 9.513 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.773 8.483 8.872 1.00 0.00 O ATOM 0 H ASP A 33 2.661 11.118 7.397 1.00 0.00 H new ATOM 0 HA ASP A 33 2.439 8.175 7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.411 10.434 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.040 8.805 6.523 1.00 0.00 H new ATOM 458 N LEU A 34 1.541 8.429 4.622 1.00 0.00 N ATOM 459 CA LEU A 34 1.624 8.389 3.166 1.00 0.00 C ATOM 460 C LEU A 34 0.296 8.792 2.533 1.00 0.00 C ATOM 461 O LEU A 34 -0.771 8.522 3.082 1.00 0.00 O ATOM 462 CB LEU A 34 2.022 6.988 2.697 1.00 0.00 C ATOM 463 CG LEU A 34 2.106 6.786 1.184 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.263 7.584 0.602 1.00 0.00 C ATOM 465 CD2 LEU A 34 2.254 5.309 0.850 1.00 0.00 C ATOM 0 H LEU A 34 0.838 7.807 5.021 1.00 0.00 H new ATOM 0 HA LEU A 34 2.386 9.102 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.992 6.743 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.303 6.274 3.099 1.00 0.00 H new ATOM 0 HG LEU A 34 1.180 7.148 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.307 7.428 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.115 8.644 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.198 7.253 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.312 5.185 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.163 4.921 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.393 4.761 1.232 1.00 0.00 H new ATOM 477 N ASN A 35 0.371 9.437 1.373 1.00 0.00 N ATOM 478 CA ASN A 35 -0.825 9.876 0.664 1.00 0.00 C ATOM 479 C ASN A 35 -1.062 9.027 -0.581 1.00 0.00 C ATOM 480 O ASN A 35 -0.236 9.002 -1.494 1.00 0.00 O ATOM 481 CB ASN A 35 -0.700 11.350 0.273 1.00 0.00 C ATOM 482 CG ASN A 35 -0.328 12.231 1.451 1.00 0.00 C ATOM 483 OD1 ASN A 35 0.758 12.809 1.489 1.00 0.00 O ATOM 484 ND2 ASN A 35 -1.231 12.335 2.419 1.00 0.00 N ATOM 0 H ASN A 35 1.247 9.667 0.904 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.677 9.755 1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.054 11.454 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.645 11.692 -0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.037 12.913 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.118 11.837 2.344 1.00 0.00 H new ATOM 491 N PHE A 36 -2.194 8.332 -0.610 1.00 0.00 N ATOM 492 CA PHE A 36 -2.540 7.481 -1.743 1.00 0.00 C ATOM 493 C PHE A 36 -4.031 7.569 -2.054 1.00 0.00 C ATOM 494 O PHE A 36 -4.824 8.003 -1.220 1.00 0.00 O ATOM 495 CB PHE A 36 -2.152 6.029 -1.454 1.00 0.00 C ATOM 496 CG PHE A 36 -2.896 5.429 -0.295 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.407 5.551 0.996 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.083 4.745 -0.496 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.089 4.999 2.064 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.770 4.191 0.568 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.272 4.320 1.850 1.00 0.00 C ATOM 0 H PHE A 36 -2.888 8.341 0.138 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.985 7.832 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.337 5.428 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.082 5.980 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.483 6.083 1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.477 4.643 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.697 5.099 3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.694 3.659 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.807 3.890 2.684 1.00 0.00 H new ATOM 511 N GLN A 37 -4.403 7.153 -3.260 1.00 0.00 N ATOM 512 CA GLN A 37 -5.799 7.186 -3.682 1.00 0.00 C ATOM 513 C GLN A 37 -6.273 5.799 -4.103 1.00 0.00 C ATOM 514 O GLN A 37 -5.464 4.916 -4.389 1.00 0.00 O ATOM 515 CB GLN A 37 -5.981 8.172 -4.837 1.00 0.00 C ATOM 516 CG GLN A 37 -5.703 9.617 -4.453 1.00 0.00 C ATOM 517 CD GLN A 37 -4.227 9.961 -4.507 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.536 9.945 -3.488 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.736 10.275 -5.700 1.00 0.00 N ATOM 0 H GLN A 37 -3.758 6.789 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.401 7.514 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.318 7.888 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.001 8.094 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.251 10.279 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.078 9.800 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.345 10.275 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.750 10.516 -5.798 1.00 0.00 H new ATOM 528 N ALA A 38 -7.588 5.614 -4.138 1.00 0.00 N ATOM 529 CA ALA A 38 -8.170 4.335 -4.526 1.00 0.00 C ATOM 530 C ALA A 38 -7.678 3.903 -5.903 1.00 0.00 C ATOM 531 O ALA A 38 -8.117 4.431 -6.924 1.00 0.00 O ATOM 532 CB ALA A 38 -9.689 4.419 -4.508 1.00 0.00 C ATOM 0 H ALA A 38 -8.271 6.334 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.850 3.584 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.110 3.457 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.027 4.674 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.019 5.187 -5.208 1.00 0.00 H new ATOM 538 N GLY A 39 -6.763 2.939 -5.924 1.00 0.00 N ATOM 539 CA GLY A 39 -6.226 2.453 -7.182 1.00 0.00 C ATOM 540 C GLY A 39 -4.718 2.584 -7.258 1.00 0.00 C ATOM 541 O GLY A 39 -4.045 1.746 -7.857 1.00 0.00 O ATOM 0 H GLY A 39 -6.384 2.486 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.504 1.407 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.678 3.007 -8.005 1.00 0.00 H new ATOM 545 N ASP A 40 -4.187 3.640 -6.651 1.00 0.00 N ATOM 546 CA ASP A 40 -2.748 3.879 -6.653 1.00 0.00 C ATOM 547 C ASP A 40 -2.004 2.719 -5.999 1.00 0.00 C ATOM 548 O ASP A 40 -2.364 2.273 -4.909 1.00 0.00 O ATOM 549 CB ASP A 40 -2.425 5.184 -5.924 1.00 0.00 C ATOM 550 CG ASP A 40 -2.453 6.385 -6.848 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.561 6.805 -7.241 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.366 6.905 -7.178 1.00 0.00 O ATOM 0 H ASP A 40 -4.731 4.344 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.419 3.960 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.142 5.333 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.440 5.106 -5.464 1.00 0.00 H new ATOM 557 N ARG A 41 -0.965 2.234 -6.671 1.00 0.00 N ATOM 558 CA ARG A 41 -0.171 1.125 -6.157 1.00 0.00 C ATOM 559 C ARG A 41 0.869 1.619 -5.155 1.00 0.00 C ATOM 560 O ARG A 41 1.603 2.569 -5.426 1.00 0.00 O ATOM 561 CB ARG A 41 0.521 0.389 -7.306 1.00 0.00 C ATOM 562 CG ARG A 41 -0.437 -0.377 -8.203 1.00 0.00 C ATOM 563 CD ARG A 41 -1.147 0.549 -9.179 1.00 0.00 C ATOM 564 NE ARG A 41 -1.638 -0.167 -10.353 1.00 0.00 N ATOM 565 CZ ARG A 41 -1.863 0.414 -11.527 1.00 0.00 C ATOM 566 NH1 ARG A 41 -1.640 1.711 -11.682 1.00 0.00 N ATOM 567 NH2 ARG A 41 -2.310 -0.305 -12.549 1.00 0.00 N ATOM 0 H ARG A 41 -0.653 2.592 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.844 0.436 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.072 1.111 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.253 -0.305 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.112 -1.139 -8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.174 -0.896 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.982 1.035 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.463 1.337 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.818 -1.167 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.295 2.266 -10.899 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.814 2.154 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.481 -1.304 -12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.483 0.141 -13.450 1.00 0.00 H new ATOM 581 N ILE A 42 0.924 0.968 -3.998 1.00 0.00 N ATOM 582 CA ILE A 42 1.874 1.340 -2.957 1.00 0.00 C ATOM 583 C ILE A 42 2.942 0.267 -2.778 1.00 0.00 C ATOM 584 O ILE A 42 2.639 -0.877 -2.437 1.00 0.00 O ATOM 585 CB ILE A 42 1.168 1.576 -1.609 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.147 2.709 -1.735 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.187 1.893 -0.525 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.035 2.563 -0.802 1.00 0.00 C ATOM 0 H ILE A 42 0.322 0.180 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 42 2.346 2.269 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 42 0.640 0.665 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.643 3.658 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.214 2.749 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.672 2.057 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.880 1.058 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.741 2.792 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.718 3.401 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.555 1.630 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.685 2.553 0.230 1.00 0.00 H new ATOM 600 N THR A 43 4.196 0.644 -3.008 1.00 0.00 N ATOM 601 CA THR A 43 5.311 -0.286 -2.871 1.00 0.00 C ATOM 602 C THR A 43 5.582 -0.607 -1.406 1.00 0.00 C ATOM 603 O THR A 43 6.239 0.161 -0.703 1.00 0.00 O ATOM 604 CB THR A 43 6.595 0.280 -3.508 1.00 0.00 C ATOM 605 OG1 THR A 43 6.378 0.539 -4.899 1.00 0.00 O ATOM 606 CG2 THR A 43 7.753 -0.692 -3.342 1.00 0.00 C ATOM 0 H THR A 43 4.465 1.587 -3.290 1.00 0.00 H new ATOM 0 HA THR A 43 5.027 -1.200 -3.393 1.00 0.00 H new ATOM 0 HB THR A 43 6.847 1.211 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.198 0.900 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.649 -0.272 -3.799 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.934 -0.865 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.507 -1.637 -3.827 1.00 0.00 H new ATOM 614 N VAL A 44 5.073 -1.747 -0.951 1.00 0.00 N ATOM 615 CA VAL A 44 5.262 -2.171 0.431 1.00 0.00 C ATOM 616 C VAL A 44 6.723 -2.509 0.707 1.00 0.00 C ATOM 617 O VAL A 44 7.250 -3.495 0.191 1.00 0.00 O ATOM 618 CB VAL A 44 4.391 -3.397 0.766 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.597 -3.819 2.213 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.924 -3.098 0.493 1.00 0.00 C ATOM 0 H VAL A 44 4.526 -2.394 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 44 4.959 -1.336 1.063 1.00 0.00 H new ATOM 0 HB VAL A 44 4.696 -4.224 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.974 -4.686 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.644 -4.076 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.321 -2.998 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.323 -3.974 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.603 -2.257 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.793 -2.848 -0.560 1.00 0.00 H new ATOM 630 N ILE A 45 7.371 -1.685 1.524 1.00 0.00 N ATOM 631 CA ILE A 45 8.770 -1.898 1.870 1.00 0.00 C ATOM 632 C ILE A 45 8.903 -2.624 3.204 1.00 0.00 C ATOM 633 O ILE A 45 9.769 -3.483 3.372 1.00 0.00 O ATOM 634 CB ILE A 45 9.540 -0.566 1.945 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.693 0.499 2.644 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.936 -0.104 0.550 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.449 1.777 2.935 1.00 0.00 C ATOM 0 H ILE A 45 6.949 -0.864 1.958 1.00 0.00 H new ATOM 0 HA ILE A 45 9.200 -2.514 1.080 1.00 0.00 H new ATOM 0 HB ILE A 45 10.448 -0.721 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.829 0.731 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.311 0.091 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.479 0.838 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.573 -0.856 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.040 0.037 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.787 2.487 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.297 1.558 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.808 2.208 2.001 1.00 0.00 H new ATOM 649 N SER A 46 8.037 -2.275 4.150 1.00 0.00 N ATOM 650 CA SER A 46 8.058 -2.892 5.471 1.00 0.00 C ATOM 651 C SER A 46 6.642 -3.078 6.006 1.00 0.00 C ATOM 652 O SER A 46 5.991 -2.120 6.423 1.00 0.00 O ATOM 653 CB SER A 46 8.875 -2.038 6.444 1.00 0.00 C ATOM 654 OG SER A 46 9.403 -2.827 7.496 1.00 0.00 O ATOM 0 H SER A 46 7.312 -1.568 4.026 1.00 0.00 H new ATOM 0 HA SER A 46 8.525 -3.873 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.689 -1.549 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.246 -1.249 6.857 1.00 0.00 H new ATOM 0 HG SER A 46 9.922 -2.258 8.103 1.00 0.00 H new ATOM 660 N LYS A 47 6.170 -4.320 5.992 1.00 0.00 N ATOM 661 CA LYS A 47 4.831 -4.636 6.476 1.00 0.00 C ATOM 662 C LYS A 47 4.889 -5.651 7.614 1.00 0.00 C ATOM 663 O LYS A 47 5.963 -6.132 7.976 1.00 0.00 O ATOM 664 CB LYS A 47 3.969 -5.182 5.336 1.00 0.00 C ATOM 665 CG LYS A 47 4.221 -6.648 5.031 1.00 0.00 C ATOM 666 CD LYS A 47 3.156 -7.218 4.109 1.00 0.00 C ATOM 667 CE LYS A 47 2.958 -8.708 4.340 1.00 0.00 C ATOM 668 NZ LYS A 47 4.220 -9.473 4.137 1.00 0.00 N ATOM 0 H LYS A 47 6.695 -5.125 5.650 1.00 0.00 H new ATOM 0 HA LYS A 47 4.383 -3.717 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.918 -5.048 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.156 -4.595 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.202 -6.761 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.240 -7.216 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.214 -6.695 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.441 -7.044 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.592 -8.873 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.193 -9.082 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.012 -10.357 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.886 -8.902 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.644 -9.695 5.060 1.00 0.00 H new ATOM 682 N THR A 48 3.727 -5.973 8.174 1.00 0.00 N ATOM 683 CA THR A 48 3.646 -6.930 9.270 1.00 0.00 C ATOM 684 C THR A 48 2.642 -8.035 8.961 1.00 0.00 C ATOM 685 O THR A 48 1.924 -7.973 7.963 1.00 0.00 O ATOM 686 CB THR A 48 3.247 -6.242 10.588 1.00 0.00 C ATOM 687 OG1 THR A 48 1.913 -5.730 10.490 1.00 0.00 O ATOM 688 CG2 THR A 48 4.206 -5.109 10.920 1.00 0.00 C ATOM 0 H THR A 48 2.829 -5.585 7.886 1.00 0.00 H new ATOM 0 HA THR A 48 4.638 -7.366 9.383 1.00 0.00 H new ATOM 0 HB THR A 48 3.294 -6.983 11.386 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.667 -5.295 11.333 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.903 -4.638 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.216 -5.506 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.187 -4.370 10.119 1.00 0.00 H new ATOM 696 N ASP A 49 2.595 -9.043 9.825 1.00 0.00 N ATOM 697 CA ASP A 49 1.677 -10.161 9.646 1.00 0.00 C ATOM 698 C ASP A 49 0.227 -9.689 9.702 1.00 0.00 C ATOM 699 O ASP A 49 -0.527 -9.853 8.744 1.00 0.00 O ATOM 700 CB ASP A 49 1.921 -11.226 10.716 1.00 0.00 C ATOM 701 CG ASP A 49 1.003 -12.423 10.562 1.00 0.00 C ATOM 702 OD1 ASP A 49 -0.230 -12.238 10.637 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.517 -13.545 10.368 1.00 0.00 O ATOM 0 H ASP A 49 3.182 -9.109 10.656 1.00 0.00 H new ATOM 0 HA ASP A 49 1.861 -10.595 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.958 -11.558 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.776 -10.785 11.702 1.00 0.00 H new ATOM 708 N SER A 50 -0.154 -9.102 10.832 1.00 0.00 N ATOM 709 CA SER A 50 -1.515 -8.610 11.016 1.00 0.00 C ATOM 710 C SER A 50 -1.881 -7.606 9.928 1.00 0.00 C ATOM 711 O SER A 50 -1.043 -6.819 9.485 1.00 0.00 O ATOM 712 CB SER A 50 -1.663 -7.962 12.394 1.00 0.00 C ATOM 713 OG SER A 50 -1.700 -8.942 13.417 1.00 0.00 O ATOM 0 H SER A 50 0.460 -8.955 11.633 1.00 0.00 H new ATOM 0 HA SER A 50 -2.195 -9.459 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.831 -7.280 12.570 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.576 -7.367 12.423 1.00 0.00 H new ATOM 0 HG SER A 50 -1.793 -8.502 14.288 1.00 0.00 H new ATOM 719 N HIS A 51 -3.139 -7.639 9.500 1.00 0.00 N ATOM 720 CA HIS A 51 -3.618 -6.731 8.463 1.00 0.00 C ATOM 721 C HIS A 51 -4.018 -5.386 9.061 1.00 0.00 C ATOM 722 O HIS A 51 -3.418 -4.355 8.753 1.00 0.00 O ATOM 723 CB HIS A 51 -4.807 -7.348 7.725 1.00 0.00 C ATOM 724 CG HIS A 51 -4.433 -8.500 6.845 1.00 0.00 C ATOM 725 ND1 HIS A 51 -4.625 -8.497 5.479 1.00 0.00 N ATOM 726 CD2 HIS A 51 -3.874 -9.697 7.141 1.00 0.00 C ATOM 727 CE1 HIS A 51 -4.202 -9.642 4.974 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.741 -10.388 5.962 1.00 0.00 N ATOM 0 H HIS A 51 -3.845 -8.284 9.855 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.806 -6.567 7.755 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.543 -7.683 8.456 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.287 -6.579 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.586 -10.044 8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.229 -9.921 3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.350 -11.325 5.865 1.00 0.00 H new ATOM 737 N PHE A 52 -5.034 -5.402 9.916 1.00 0.00 N ATOM 738 CA PHE A 52 -5.515 -4.183 10.556 1.00 0.00 C ATOM 739 C PHE A 52 -4.358 -3.236 10.861 1.00 0.00 C ATOM 740 O PHE A 52 -4.476 -2.022 10.698 1.00 0.00 O ATOM 741 CB PHE A 52 -6.267 -4.521 11.845 1.00 0.00 C ATOM 742 CG PHE A 52 -7.700 -4.909 11.619 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.691 -3.944 11.550 1.00 0.00 C ATOM 744 CD2 PHE A 52 -8.056 -6.241 11.475 1.00 0.00 C ATOM 745 CE1 PHE A 52 -10.010 -4.299 11.343 1.00 0.00 C ATOM 746 CE2 PHE A 52 -9.374 -6.602 11.268 1.00 0.00 C ATOM 747 CZ PHE A 52 -10.352 -5.630 11.201 1.00 0.00 C ATOM 0 H PHE A 52 -5.541 -6.246 10.182 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.197 -3.685 9.867 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.753 -5.338 12.352 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.233 -3.660 12.512 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.430 -2.902 11.659 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.295 -7.005 11.525 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.773 -3.537 11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.638 -7.643 11.159 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.382 -5.909 11.038 1.00 0.00 H new ATOM 757 N ASP A 53 -3.241 -3.801 11.306 1.00 0.00 N ATOM 758 CA ASP A 53 -2.062 -3.009 11.635 1.00 0.00 C ATOM 759 C ASP A 53 -1.649 -2.134 10.455 1.00 0.00 C ATOM 760 O ASP A 53 -2.042 -2.386 9.316 1.00 0.00 O ATOM 761 CB ASP A 53 -0.903 -3.923 12.038 1.00 0.00 C ATOM 762 CG ASP A 53 -1.108 -4.550 13.402 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.257 -4.931 13.714 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.121 -4.662 14.158 1.00 0.00 O ATOM 0 H ASP A 53 -3.127 -4.805 11.447 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.313 -2.361 12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.789 -4.710 11.293 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.024 -3.350 12.040 1.00 0.00 H new ATOM 769 N TRP A 54 -0.857 -1.106 10.737 1.00 0.00 N ATOM 770 CA TRP A 54 -0.393 -0.193 9.699 1.00 0.00 C ATOM 771 C TRP A 54 0.940 -0.657 9.122 1.00 0.00 C ATOM 772 O TRP A 54 1.816 -1.118 9.854 1.00 0.00 O ATOM 773 CB TRP A 54 -0.254 1.223 10.261 1.00 0.00 C ATOM 774 CG TRP A 54 -1.569 1.910 10.471 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.670 1.399 11.098 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.921 3.233 10.053 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.685 2.325 11.094 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.251 3.459 10.460 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.242 4.250 9.376 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.912 4.659 10.210 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.900 5.440 9.129 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.223 5.637 9.546 1.00 0.00 C ATOM 0 H TRP A 54 -0.523 -0.884 11.675 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.132 -0.188 8.898 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.280 1.179 11.210 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.354 1.818 9.580 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.733 0.412 11.533 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.612 2.190 11.498 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.222 4.108 9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.932 4.812 10.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.385 6.232 8.605 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.708 6.579 9.339 1.00 0.00 H new ATOM 793 N TRP A 55 1.087 -0.532 7.808 1.00 0.00 N ATOM 794 CA TRP A 55 2.315 -0.939 7.134 1.00 0.00 C ATOM 795 C TRP A 55 3.060 0.271 6.583 1.00 0.00 C ATOM 796 O TRP A 55 2.564 1.396 6.641 1.00 0.00 O ATOM 797 CB TRP A 55 1.999 -1.918 6.002 1.00 0.00 C ATOM 798 CG TRP A 55 1.371 -3.194 6.478 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.329 -3.657 7.761 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.699 -4.169 5.674 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.670 -4.862 7.804 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.273 -5.198 6.537 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.413 -4.273 4.310 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.421 -6.315 6.078 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.275 -5.382 3.856 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.687 -6.391 4.738 1.00 0.00 C ATOM 0 H TRP A 55 0.372 -0.152 7.188 1.00 0.00 H new ATOM 0 HA TRP A 55 2.955 -1.434 7.865 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.329 -1.435 5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.919 -2.152 5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.751 -3.151 8.616 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.503 -5.417 8.644 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.724 -3.500 3.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.738 -7.094 6.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.499 -5.473 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.225 -7.245 4.352 1.00 0.00 H new ATOM 817 N GLU A 56 4.254 0.033 6.048 1.00 0.00 N ATOM 818 CA GLU A 56 5.067 1.106 5.488 1.00 0.00 C ATOM 819 C GLU A 56 5.366 0.848 4.014 1.00 0.00 C ATOM 820 O GLU A 56 6.089 -0.086 3.670 1.00 0.00 O ATOM 821 CB GLU A 56 6.376 1.245 6.268 1.00 0.00 C ATOM 822 CG GLU A 56 7.146 2.513 5.942 1.00 0.00 C ATOM 823 CD GLU A 56 8.346 2.716 6.847 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.143 3.012 8.043 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.487 2.578 6.360 1.00 0.00 O ATOM 0 H GLU A 56 4.679 -0.892 5.991 1.00 0.00 H new ATOM 0 HA GLU A 56 4.503 2.035 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.157 1.227 7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.008 0.382 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.480 2.474 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.480 3.371 6.030 1.00 0.00 H new ATOM 832 N GLY A 57 4.803 1.684 3.146 1.00 0.00 N ATOM 833 CA GLY A 57 5.020 1.530 1.720 1.00 0.00 C ATOM 834 C GLY A 57 5.567 2.789 1.077 1.00 0.00 C ATOM 835 O GLY A 57 5.811 3.787 1.757 1.00 0.00 O ATOM 0 H GLY A 57 4.201 2.465 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.714 0.707 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.080 1.260 1.240 1.00 0.00 H new ATOM 839 N LYS A 58 5.761 2.745 -0.236 1.00 0.00 N ATOM 840 CA LYS A 58 6.283 3.890 -0.972 1.00 0.00 C ATOM 841 C LYS A 58 5.417 4.195 -2.190 1.00 0.00 C ATOM 842 O LYS A 58 5.073 3.298 -2.960 1.00 0.00 O ATOM 843 CB LYS A 58 7.725 3.626 -1.412 1.00 0.00 C ATOM 844 CG LYS A 58 8.761 4.048 -0.385 1.00 0.00 C ATOM 845 CD LYS A 58 10.048 3.253 -0.531 1.00 0.00 C ATOM 846 CE LYS A 58 11.002 3.914 -1.514 1.00 0.00 C ATOM 847 NZ LYS A 58 12.385 3.375 -1.392 1.00 0.00 N ATOM 0 H LYS A 58 5.564 1.927 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 58 6.264 4.755 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.844 2.563 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.914 4.156 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.974 5.111 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.358 3.908 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.532 3.160 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.817 2.243 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.640 3.760 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.015 4.990 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.005 3.851 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.740 3.545 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.377 2.353 -1.583 1.00 0.00 H new ATOM 861 N LEU A 59 5.069 5.466 -2.360 1.00 0.00 N ATOM 862 CA LEU A 59 4.244 5.890 -3.486 1.00 0.00 C ATOM 863 C LEU A 59 4.705 7.242 -4.021 1.00 0.00 C ATOM 864 O LEU A 59 5.129 8.110 -3.258 1.00 0.00 O ATOM 865 CB LEU A 59 2.775 5.969 -3.066 1.00 0.00 C ATOM 866 CG LEU A 59 1.827 6.633 -4.064 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.579 5.720 -5.254 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.513 7.001 -3.389 1.00 0.00 C ATOM 0 H LEU A 59 5.345 6.221 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 59 4.350 5.151 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.418 4.957 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.716 6.512 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 59 2.295 7.548 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.902 6.210 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.525 5.507 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.133 4.787 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.149 7.473 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.040 6.100 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.706 7.694 -2.570 1.00 0.00 H new ATOM 880 N ARG A 60 4.618 7.413 -5.335 1.00 0.00 N ATOM 881 CA ARG A 60 5.025 8.659 -5.972 1.00 0.00 C ATOM 882 C ARG A 60 6.351 9.154 -5.401 1.00 0.00 C ATOM 883 O ARG A 60 6.490 10.325 -5.053 1.00 0.00 O ATOM 884 CB ARG A 60 3.947 9.729 -5.786 1.00 0.00 C ATOM 885 CG ARG A 60 2.633 9.395 -6.474 1.00 0.00 C ATOM 886 CD ARG A 60 1.498 10.266 -5.959 1.00 0.00 C ATOM 887 NE ARG A 60 0.329 10.214 -6.832 1.00 0.00 N ATOM 888 CZ ARG A 60 -0.632 11.131 -6.829 1.00 0.00 C ATOM 889 NH1 ARG A 60 -0.562 12.166 -6.004 1.00 0.00 N ATOM 890 NH2 ARG A 60 -1.665 11.014 -7.653 1.00 0.00 N ATOM 0 H ARG A 60 4.269 6.704 -5.980 1.00 0.00 H new ATOM 0 HA ARG A 60 5.156 8.467 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.765 9.868 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.319 10.678 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.739 9.532 -7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.391 8.345 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.217 9.941 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.842 11.297 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 60 0.246 9.431 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.231 12.260 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.301 12.869 -6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.722 10.219 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.402 11.719 -7.650 1.00 0.00 H new ATOM 904 N GLY A 61 7.323 8.251 -5.307 1.00 0.00 N ATOM 905 CA GLY A 61 8.624 8.614 -4.777 1.00 0.00 C ATOM 906 C GLY A 61 8.545 9.150 -3.362 1.00 0.00 C ATOM 907 O GLY A 61 9.265 10.081 -3.003 1.00 0.00 O ATOM 0 H GLY A 61 7.232 7.275 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.277 7.741 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.079 9.366 -5.422 1.00 0.00 H new ATOM 911 N GLN A 62 7.665 8.562 -2.557 1.00 0.00 N ATOM 912 CA GLN A 62 7.493 8.989 -1.173 1.00 0.00 C ATOM 913 C GLN A 62 7.444 7.788 -0.235 1.00 0.00 C ATOM 914 O GLN A 62 7.406 6.640 -0.679 1.00 0.00 O ATOM 915 CB GLN A 62 6.215 9.817 -1.028 1.00 0.00 C ATOM 916 CG GLN A 62 6.187 11.053 -1.913 1.00 0.00 C ATOM 917 CD GLN A 62 6.906 12.233 -1.289 1.00 0.00 C ATOM 918 OE1 GLN A 62 8.136 12.264 -1.228 1.00 0.00 O ATOM 919 NE2 GLN A 62 6.142 13.213 -0.822 1.00 0.00 N ATOM 0 H GLN A 62 7.061 7.790 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 62 8.350 9.605 -0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.356 9.190 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.106 10.123 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.647 10.818 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.152 11.328 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.127 13.146 -0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.570 14.033 -0.392 1.00 0.00 H new ATOM 928 N THR A 63 7.445 8.059 1.067 1.00 0.00 N ATOM 929 CA THR A 63 7.402 7.001 2.068 1.00 0.00 C ATOM 930 C THR A 63 6.547 7.409 3.263 1.00 0.00 C ATOM 931 O THR A 63 6.601 8.551 3.716 1.00 0.00 O ATOM 932 CB THR A 63 8.815 6.638 2.562 1.00 0.00 C ATOM 933 OG1 THR A 63 9.738 6.661 1.468 1.00 0.00 O ATOM 934 CG2 THR A 63 8.824 5.263 3.212 1.00 0.00 C ATOM 0 H THR A 63 7.475 9.003 1.452 1.00 0.00 H new ATOM 0 HA THR A 63 6.958 6.129 1.588 1.00 0.00 H new ATOM 0 HB THR A 63 9.117 7.376 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.634 6.431 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.832 5.028 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.143 5.258 4.063 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.503 4.515 2.486 1.00 0.00 H new ATOM 942 N GLY A 64 5.758 6.466 3.769 1.00 0.00 N ATOM 943 CA GLY A 64 4.903 6.747 4.907 1.00 0.00 C ATOM 944 C GLY A 64 4.146 5.522 5.381 1.00 0.00 C ATOM 945 O GLY A 64 4.239 4.455 4.774 1.00 0.00 O ATOM 0 H GLY A 64 5.696 5.513 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.509 7.135 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.192 7.528 4.639 1.00 0.00 H new ATOM 949 N ILE A 65 3.398 5.674 6.468 1.00 0.00 N ATOM 950 CA ILE A 65 2.623 4.571 7.022 1.00 0.00 C ATOM 951 C ILE A 65 1.165 4.649 6.584 1.00 0.00 C ATOM 952 O ILE A 65 0.660 5.723 6.257 1.00 0.00 O ATOM 953 CB ILE A 65 2.685 4.557 8.561 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.286 5.923 9.122 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.080 4.172 9.031 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.664 5.852 10.499 1.00 0.00 C ATOM 0 H ILE A 65 3.312 6.550 6.983 1.00 0.00 H new ATOM 0 HA ILE A 65 3.066 3.651 6.640 1.00 0.00 H new ATOM 0 HB ILE A 65 1.980 3.813 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.168 6.562 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.582 6.396 8.438 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.108 4.166 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.329 3.179 8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.804 4.894 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.406 6.857 10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.763 5.240 10.460 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.374 5.408 11.197 1.00 0.00 H new ATOM 968 N PHE A 66 0.491 3.503 6.582 1.00 0.00 N ATOM 969 CA PHE A 66 -0.910 3.441 6.185 1.00 0.00 C ATOM 970 C PHE A 66 -1.519 2.089 6.548 1.00 0.00 C ATOM 971 O PHE A 66 -0.833 1.070 6.617 1.00 0.00 O ATOM 972 CB PHE A 66 -1.048 3.688 4.681 1.00 0.00 C ATOM 973 CG PHE A 66 -0.454 2.597 3.837 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.879 2.642 3.462 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.228 1.527 3.420 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.428 1.640 2.685 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.684 0.521 2.643 1.00 0.00 C ATOM 978 CZ PHE A 66 0.646 0.577 2.276 1.00 0.00 C ATOM 0 H PHE A 66 0.893 2.605 6.851 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.449 4.219 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.104 3.793 4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.566 4.633 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.496 3.469 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.269 1.478 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.468 1.688 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.299 -0.308 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.074 -0.208 1.671 1.00 0.00 H new ATOM 988 N PRO A 67 -2.839 2.080 6.785 1.00 0.00 N ATOM 989 CA PRO A 67 -3.570 0.861 7.144 1.00 0.00 C ATOM 990 C PRO A 67 -3.673 -0.118 5.979 1.00 0.00 C ATOM 991 O PRO A 67 -4.206 0.216 4.922 1.00 0.00 O ATOM 992 CB PRO A 67 -4.957 1.380 7.531 1.00 0.00 C ATOM 993 CG PRO A 67 -5.100 2.666 6.791 1.00 0.00 C ATOM 994 CD PRO A 67 -3.720 3.258 6.720 1.00 0.00 C ATOM 0 HA PRO A 67 -3.071 0.306 7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.737 0.673 7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.037 1.532 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.505 2.499 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.787 3.338 7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.571 3.821 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.534 3.945 7.546 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.160 -1.327 6.181 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.197 -2.355 5.149 1.00 0.00 C ATOM 1004 C ALA A 68 -4.633 -2.715 4.784 1.00 0.00 C ATOM 1005 O ALA A 68 -4.877 -3.409 3.798 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.440 -3.592 5.608 1.00 0.00 C ATOM 0 H ALA A 68 -2.714 -1.618 7.051 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.712 -1.957 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.476 -4.351 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.402 -3.329 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.899 -3.983 6.516 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.579 -2.241 5.587 1.00 0.00 N ATOM 1013 CA ASN A 69 -6.992 -2.515 5.350 1.00 0.00 C ATOM 1014 C ASN A 69 -7.499 -1.741 4.136 1.00 0.00 C ATOM 1015 O ASN A 69 -8.493 -2.121 3.516 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.819 -2.149 6.584 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.270 -2.571 6.454 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.074 -1.880 5.829 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -9.610 -3.710 7.045 1.00 0.00 N ATOM 0 H ASN A 69 -5.393 -1.665 6.408 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.102 -3.581 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.383 -2.623 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.770 -1.072 6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.572 -4.045 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.909 -4.250 7.553 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.810 -0.656 3.803 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.191 0.173 2.666 1.00 0.00 C ATOM 1028 C TYR A 70 -6.553 -0.342 1.379 1.00 0.00 C ATOM 1029 O TYR A 70 -6.828 0.163 0.290 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.781 1.626 2.906 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.739 2.387 3.795 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.190 1.841 4.991 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.194 3.651 3.439 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.066 2.532 5.806 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -9.069 4.349 4.249 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.502 3.786 5.431 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.373 4.478 6.240 1.00 0.00 O ATOM 0 H TYR A 70 -5.984 -0.330 4.305 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.275 0.122 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.788 1.645 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.706 2.137 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.850 0.860 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.858 4.095 2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.408 2.093 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.412 5.331 3.958 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.580 5.344 5.832 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.697 -1.350 1.513 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.020 -1.936 0.362 1.00 0.00 C ATOM 1049 C VAL A 71 -5.282 -3.435 0.274 1.00 0.00 C ATOM 1050 O VAL A 71 -5.832 -4.036 1.197 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.500 -1.694 0.424 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.203 -0.245 0.777 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.850 -2.639 1.423 1.00 0.00 C ATOM 0 H VAL A 71 -5.456 -1.778 2.407 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.423 -1.448 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.078 -1.896 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.124 -0.094 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.634 0.410 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.638 -0.011 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.776 -2.454 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.275 -2.471 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.032 -3.670 1.120 1.00 0.00 H new ATOM 1063 N THR A 72 -4.883 -4.035 -0.843 1.00 0.00 N ATOM 1064 CA THR A 72 -5.075 -5.465 -1.053 1.00 0.00 C ATOM 1065 C THR A 72 -3.780 -6.134 -1.498 1.00 0.00 C ATOM 1066 O THR A 72 -2.907 -5.491 -2.081 1.00 0.00 O ATOM 1067 CB THR A 72 -6.168 -5.736 -2.104 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.373 -7.147 -2.244 1.00 0.00 O ATOM 1069 CG2 THR A 72 -5.785 -5.138 -3.450 1.00 0.00 C ATOM 0 H THR A 72 -4.425 -3.553 -1.616 1.00 0.00 H new ATOM 0 HA THR A 72 -5.388 -5.886 -0.098 1.00 0.00 H new ATOM 0 HB THR A 72 -7.092 -5.266 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.172 -7.309 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.572 -5.342 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.658 -4.060 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.851 -5.583 -3.793 1.00 0.00 H new ATOM 1077 N MET A 73 -3.662 -7.428 -1.221 1.00 0.00 N ATOM 1078 CA MET A 73 -2.473 -8.185 -1.595 1.00 0.00 C ATOM 1079 C MET A 73 -2.820 -9.284 -2.594 1.00 0.00 C ATOM 1080 O MET A 73 -3.261 -10.367 -2.211 1.00 0.00 O ATOM 1081 CB MET A 73 -1.819 -8.795 -0.354 1.00 0.00 C ATOM 1082 CG MET A 73 -0.320 -9.002 -0.497 1.00 0.00 C ATOM 1083 SD MET A 73 0.627 -7.520 -0.097 1.00 0.00 S ATOM 1084 CE MET A 73 0.466 -7.486 1.687 1.00 0.00 C ATOM 0 H MET A 73 -4.375 -7.975 -0.739 1.00 0.00 H new ATOM 0 HA MET A 73 -1.770 -7.499 -2.067 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.008 -8.147 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.291 -9.754 -0.139 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.006 -9.816 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 73 -0.095 -9.307 -1.519 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.178 -6.773 2.103 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.547 -7.186 1.955 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.669 -8.478 2.090 1.00 0.00 H new ATOM 1094 N ASN A 74 -2.618 -8.998 -3.876 1.00 0.00 N ATOM 1095 CA ASN A 74 -2.911 -9.962 -4.930 1.00 0.00 C ATOM 1096 C ASN A 74 -1.768 -10.031 -5.938 1.00 0.00 C ATOM 1097 O ASN A 74 -1.598 -9.131 -6.761 1.00 0.00 O ATOM 1098 CB ASN A 74 -4.213 -9.591 -5.643 1.00 0.00 C ATOM 1099 CG ASN A 74 -5.382 -9.468 -4.684 1.00 0.00 C ATOM 1100 OD1 ASN A 74 -5.396 -10.089 -3.622 1.00 0.00 O ATOM 1101 ND2 ASN A 74 -6.369 -8.662 -5.057 1.00 0.00 N ATOM 0 H ASN A 74 -2.252 -8.106 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.024 -10.943 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.079 -8.647 -6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.441 -10.347 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.182 -8.538 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.314 -8.167 -5.947 1.00 0.00 H new ATOM 1108 N SER A 75 -0.987 -11.104 -5.867 1.00 0.00 N ATOM 1109 CA SER A 75 0.142 -11.289 -6.771 1.00 0.00 C ATOM 1110 C SER A 75 -0.112 -12.449 -7.728 1.00 0.00 C ATOM 1111 O SER A 75 0.013 -13.615 -7.356 1.00 0.00 O ATOM 1112 CB SER A 75 1.424 -11.542 -5.975 1.00 0.00 C ATOM 1113 OG SER A 75 1.698 -10.466 -5.094 1.00 0.00 O ATOM 0 H SER A 75 -1.115 -11.859 -5.193 1.00 0.00 H new ATOM 0 HA SER A 75 0.260 -10.377 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.326 -12.466 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.261 -11.677 -6.660 1.00 0.00 H new ATOM 0 HG SER A 75 2.521 -10.653 -4.596 1.00 0.00 H new ATOM 1119 N GLY A 76 -0.471 -12.119 -8.966 1.00 0.00 N ATOM 1120 CA GLY A 76 -0.738 -13.144 -9.958 1.00 0.00 C ATOM 1121 C GLY A 76 -0.991 -12.564 -11.336 1.00 0.00 C ATOM 1122 O GLY A 76 -1.412 -11.416 -11.482 1.00 0.00 O ATOM 0 H GLY A 76 -0.581 -11.161 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.108 -13.829 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.604 -13.728 -9.648 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.730 -13.368 -12.378 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.924 -12.949 -13.769 1.00 0.00 C ATOM 1128 C PRO A 77 -2.398 -12.798 -14.129 1.00 0.00 C ATOM 1129 O PRO A 77 -2.740 -12.190 -15.143 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.290 -14.086 -14.573 1.00 0.00 C ATOM 1131 CG PRO A 77 -0.371 -15.274 -13.678 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.226 -14.748 -12.277 1.00 0.00 C ATOM 0 HA PRO A 77 -0.483 -11.972 -13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.825 -14.257 -15.507 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.743 -13.857 -14.835 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.321 -15.793 -13.804 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.417 -15.991 -13.909 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.805 -15.336 -11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.811 -14.774 -11.943 1.00 0.00 H new ATOM 1140 N SER A 78 -3.267 -13.356 -13.292 1.00 0.00 N ATOM 1141 CA SER A 78 -4.704 -13.286 -13.524 1.00 0.00 C ATOM 1142 C SER A 78 -5.362 -12.296 -12.567 1.00 0.00 C ATOM 1143 O SER A 78 -4.884 -12.082 -11.453 1.00 0.00 O ATOM 1144 CB SER A 78 -5.337 -14.669 -13.359 1.00 0.00 C ATOM 1145 OG SER A 78 -6.540 -14.771 -14.100 1.00 0.00 O ATOM 0 H SER A 78 -3.000 -13.862 -12.447 1.00 0.00 H new ATOM 0 HA SER A 78 -4.865 -12.940 -14.545 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.636 -15.435 -13.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.539 -14.856 -12.304 1.00 0.00 H new ATOM 0 HG SER A 78 -6.924 -15.665 -13.979 1.00 0.00 H new ATOM 1151 N SER A 79 -6.462 -11.696 -13.011 1.00 0.00 N ATOM 1152 CA SER A 79 -7.184 -10.726 -12.196 1.00 0.00 C ATOM 1153 C SER A 79 -8.363 -11.384 -11.485 1.00 0.00 C ATOM 1154 O SER A 79 -8.447 -11.373 -10.258 1.00 0.00 O ATOM 1155 CB SER A 79 -7.680 -9.568 -13.065 1.00 0.00 C ATOM 1156 OG SER A 79 -8.614 -8.767 -12.362 1.00 0.00 O ATOM 0 H SER A 79 -6.872 -11.864 -13.930 1.00 0.00 H new ATOM 0 HA SER A 79 -6.498 -10.339 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.834 -8.956 -13.378 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.142 -9.961 -13.971 1.00 0.00 H new ATOM 0 HG SER A 79 -8.915 -8.033 -12.938 1.00 0.00 H new ATOM 1162 N GLY A 80 -9.273 -11.957 -12.267 1.00 0.00 N ATOM 1163 CA GLY A 80 -10.435 -12.612 -11.696 1.00 0.00 C ATOM 1164 C GLY A 80 -11.738 -11.994 -12.165 1.00 0.00 C ATOM 1165 O GLY A 80 -11.902 -11.700 -13.349 1.00 0.00 O ATOM 0 H GLY A 80 -9.226 -11.979 -13.286 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.421 -13.669 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.381 -12.558 -10.609 1.00 0.00 H new TER 1169 GLY A 80