USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 41 GLN : amide:sc= -3.42! K(o=-6.7!,f=-2.5) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.31! K(o=-6.7!,f=-3.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 140:sc= -0.153 (180deg=-0.551) USER MOD Single : A 14 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.134 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -100:sc= -0.801 USER MOD Single : A 62 THR OG1 : rot 172:sc= 0.182 USER MOD Single : A 65 THR OG1 : rot 40:sc= 0.149 USER MOD Single : A 69 THR OG1 : rot 84:sc= 0.0876 USER MOD Single : A 71 TYR OH : rot -93:sc= 0.195 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 115:sc= 0.715 USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0367) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.389 (180deg=0.381) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.221 (180deg=-0.956) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 61:sc= -0.133 USER MOD Single : A 91 SER OG : rot 180:sc= -3.22! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.52) USER MOD Single : A 99 SER OG : rot -26:sc= 0.548 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 121.720 20.634 -14.920 1.00 0.00 N ATOM 2 CA GLY A 1 122.817 20.620 -15.926 1.00 0.00 C ATOM 3 C GLY A 1 124.008 19.798 -15.473 1.00 0.00 C ATOM 4 O GLY A 1 124.328 18.773 -16.074 1.00 0.00 O ATOM 0 H1 GLY A 1 120.930 21.209 -15.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 121.392 19.662 -14.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 122.071 21.042 -14.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 122.439 20.219 -16.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 123.139 21.643 -16.123 1.00 0.00 H new ATOM 10 N SER A 2 124.667 20.251 -14.411 1.00 0.00 N ATOM 11 CA SER A 2 125.830 19.552 -13.878 1.00 0.00 C ATOM 12 C SER A 2 125.464 18.765 -12.623 1.00 0.00 C ATOM 13 O SER A 2 126.259 18.661 -11.690 1.00 0.00 O ATOM 14 CB SER A 2 126.948 20.547 -13.561 1.00 0.00 C ATOM 15 OG SER A 2 126.520 21.513 -12.617 1.00 0.00 O ATOM 0 H SER A 2 124.415 21.099 -13.903 1.00 0.00 H new ATOM 0 HA SER A 2 126.180 18.851 -14.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 127.815 20.013 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 127.266 21.045 -14.477 1.00 0.00 H new ATOM 0 HG SER A 2 127.253 22.136 -12.431 1.00 0.00 H new ATOM 21 N SER A 3 124.255 18.213 -12.610 1.00 0.00 N ATOM 22 CA SER A 3 123.782 17.436 -11.469 1.00 0.00 C ATOM 23 C SER A 3 123.253 16.078 -11.920 1.00 0.00 C ATOM 24 O SER A 3 123.214 15.780 -13.113 1.00 0.00 O ATOM 25 CB SER A 3 122.690 18.201 -10.721 1.00 0.00 C ATOM 26 OG SER A 3 122.954 19.592 -10.713 1.00 0.00 O ATOM 0 H SER A 3 123.585 18.289 -13.376 1.00 0.00 H new ATOM 0 HA SER A 3 124.624 17.273 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 3 121.724 18.014 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 3 122.622 17.835 -9.697 1.00 0.00 H new ATOM 0 HG SER A 3 122.240 20.058 -10.230 1.00 0.00 H new ATOM 32 N GLY A 4 122.847 15.258 -10.956 1.00 0.00 N ATOM 33 CA GLY A 4 122.325 13.942 -11.272 1.00 0.00 C ATOM 34 C GLY A 4 121.131 13.570 -10.416 1.00 0.00 C ATOM 35 O GLY A 4 120.014 13.442 -10.917 1.00 0.00 O ATOM 0 H GLY A 4 122.870 15.482 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 122.038 13.911 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 123.112 13.200 -11.135 1.00 0.00 H new ATOM 39 N SER A 5 121.366 13.394 -9.120 1.00 0.00 N ATOM 40 CA SER A 5 120.300 13.034 -8.191 1.00 0.00 C ATOM 41 C SER A 5 120.725 13.292 -6.750 1.00 0.00 C ATOM 42 O SER A 5 121.804 13.829 -6.496 1.00 0.00 O ATOM 43 CB SER A 5 119.918 11.564 -8.367 1.00 0.00 C ATOM 44 OG SER A 5 118.602 11.319 -7.902 1.00 0.00 O ATOM 0 H SER A 5 122.285 13.495 -8.689 1.00 0.00 H new ATOM 0 HA SER A 5 119.433 13.657 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 119.992 11.289 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 120.622 10.935 -7.823 1.00 0.00 H new ATOM 0 HG SER A 5 118.382 10.372 -8.027 1.00 0.00 H new ATOM 50 N SER A 6 119.871 12.904 -5.808 1.00 0.00 N ATOM 51 CA SER A 6 120.158 13.094 -4.391 1.00 0.00 C ATOM 52 C SER A 6 120.904 11.891 -3.822 1.00 0.00 C ATOM 53 O SER A 6 120.766 10.772 -4.314 1.00 0.00 O ATOM 54 CB SER A 6 118.860 13.318 -3.612 1.00 0.00 C ATOM 55 OG SER A 6 118.541 14.697 -3.538 1.00 0.00 O ATOM 0 H SER A 6 118.975 12.456 -6.001 1.00 0.00 H new ATOM 0 HA SER A 6 120.792 13.975 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 6 118.045 12.778 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 6 118.961 12.910 -2.606 1.00 0.00 H new ATOM 0 HG SER A 6 117.707 14.813 -3.037 1.00 0.00 H new ATOM 61 N GLY A 7 121.697 12.132 -2.782 1.00 0.00 N ATOM 62 CA GLY A 7 122.455 11.059 -2.163 1.00 0.00 C ATOM 63 C GLY A 7 123.939 11.360 -2.100 1.00 0.00 C ATOM 64 O GLY A 7 124.349 12.392 -1.568 1.00 0.00 O ATOM 0 H GLY A 7 121.828 13.050 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 122.079 10.887 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 7 122.298 10.137 -2.723 1.00 0.00 H new ATOM 68 N LEU A 8 124.747 10.455 -2.645 1.00 0.00 N ATOM 69 CA LEU A 8 126.195 10.628 -2.648 1.00 0.00 C ATOM 70 C LEU A 8 126.735 10.727 -1.225 1.00 0.00 C ATOM 71 O LEU A 8 126.956 11.822 -0.708 1.00 0.00 O ATOM 72 CB LEU A 8 126.578 11.881 -3.439 1.00 0.00 C ATOM 73 CG LEU A 8 126.391 11.771 -4.954 1.00 0.00 C ATOM 74 CD1 LEU A 8 125.132 12.503 -5.392 1.00 0.00 C ATOM 75 CD2 LEU A 8 127.609 12.320 -5.684 1.00 0.00 C ATOM 0 H LEU A 8 124.424 9.596 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 8 126.639 9.754 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 8 125.983 12.719 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 127.622 12.118 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 8 126.282 10.717 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 8 125.016 12.413 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 8 124.265 12.065 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 8 125.211 13.556 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 127.458 12.233 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 8 127.749 13.368 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 128.493 11.752 -5.395 1.00 0.00 H new ATOM 87 N ALA A 9 126.946 9.575 -0.597 1.00 0.00 N ATOM 88 CA ALA A 9 127.461 9.530 0.766 1.00 0.00 C ATOM 89 C ALA A 9 128.987 9.538 0.777 1.00 0.00 C ATOM 90 O ALA A 9 129.620 8.618 1.295 1.00 0.00 O ATOM 91 CB ALA A 9 126.930 8.302 1.490 1.00 0.00 C ATOM 0 H ALA A 9 126.768 8.660 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 9 127.117 10.422 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 9 127.323 8.281 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 9 125.841 8.341 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 9 127.245 7.403 0.961 1.00 0.00 H new ATOM 97 N MET A 10 129.571 10.584 0.201 1.00 0.00 N ATOM 98 CA MET A 10 131.023 10.712 0.145 1.00 0.00 C ATOM 99 C MET A 10 131.429 12.104 -0.337 1.00 0.00 C ATOM 100 O MET A 10 132.025 12.252 -1.405 1.00 0.00 O ATOM 101 CB MET A 10 131.614 9.645 -0.779 1.00 0.00 C ATOM 102 CG MET A 10 130.848 9.478 -2.083 1.00 0.00 C ATOM 103 SD MET A 10 131.914 9.566 -3.535 1.00 0.00 S ATOM 104 CE MET A 10 131.189 10.954 -4.404 1.00 0.00 C ATOM 0 H MET A 10 129.062 11.354 -0.233 1.00 0.00 H new ATOM 0 HA MET A 10 131.416 10.568 1.152 1.00 0.00 H new ATOM 0 HB2 MET A 10 132.648 9.904 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 10 131.633 8.690 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.331 8.519 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 10 130.083 10.252 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 10 131.981 11.570 -4.831 1.00 0.00 H new ATOM 0 HE2 MET A 10 130.544 10.587 -5.203 1.00 0.00 H new ATOM 0 HE3 MET A 10 130.600 11.552 -3.708 1.00 0.00 H new ATOM 114 N PRO A 11 131.111 13.149 0.447 1.00 0.00 N ATOM 115 CA PRO A 11 131.448 14.531 0.093 1.00 0.00 C ATOM 116 C PRO A 11 132.950 14.732 -0.102 1.00 0.00 C ATOM 117 O PRO A 11 133.376 15.329 -1.090 1.00 0.00 O ATOM 118 CB PRO A 11 130.946 15.355 1.283 1.00 0.00 C ATOM 119 CG PRO A 11 129.966 14.479 1.987 1.00 0.00 C ATOM 120 CD PRO A 11 130.402 13.063 1.735 1.00 0.00 C ATOM 0 HA PRO A 11 130.995 14.822 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 11 131.768 15.634 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 11 130.477 16.281 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 11 129.949 14.696 3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 11 128.956 14.647 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 11 131.053 12.696 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 11 129.551 12.384 1.681 1.00 0.00 H new ATOM 128 N PRO A 12 133.779 14.235 0.835 1.00 0.00 N ATOM 129 CA PRO A 12 135.238 14.369 0.742 1.00 0.00 C ATOM 130 C PRO A 12 135.783 13.801 -0.562 1.00 0.00 C ATOM 131 O PRO A 12 136.871 14.169 -1.006 1.00 0.00 O ATOM 132 CB PRO A 12 135.755 13.558 1.934 1.00 0.00 C ATOM 133 CG PRO A 12 134.615 13.509 2.890 1.00 0.00 C ATOM 134 CD PRO A 12 133.371 13.501 2.049 1.00 0.00 C ATOM 0 HA PRO A 12 135.552 15.413 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 12 136.057 12.556 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 12 136.628 14.031 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 12 134.669 12.618 3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 12 134.629 14.370 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 12 133.049 12.486 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 12 132.540 13.991 2.555 1.00 0.00 H new ATOM 142 N GLY A 13 135.020 12.900 -1.175 1.00 0.00 N ATOM 143 CA GLY A 13 135.443 12.293 -2.423 1.00 0.00 C ATOM 144 C GLY A 13 135.739 10.814 -2.278 1.00 0.00 C ATOM 145 O GLY A 13 135.196 10.149 -1.395 1.00 0.00 O ATOM 0 H GLY A 13 134.116 12.580 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 13 134.665 12.433 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 13 136.334 12.804 -2.788 1.00 0.00 H new ATOM 149 N ASN A 14 136.601 10.296 -3.147 1.00 0.00 N ATOM 150 CA ASN A 14 136.968 8.885 -3.112 1.00 0.00 C ATOM 151 C ASN A 14 135.742 7.999 -3.313 1.00 0.00 C ATOM 152 O ASN A 14 134.635 8.494 -3.530 1.00 0.00 O ATOM 153 CB ASN A 14 137.644 8.545 -1.783 1.00 0.00 C ATOM 154 CG ASN A 14 138.954 9.284 -1.595 1.00 0.00 C ATOM 155 OD1 ASN A 14 139.305 10.161 -2.385 1.00 0.00 O ATOM 156 ND2 ASN A 14 139.687 8.933 -0.545 1.00 0.00 N ATOM 0 H ASN A 14 137.058 10.832 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 14 137.668 8.697 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 14 136.970 8.791 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 14 137.826 7.471 -1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.579 9.396 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 14 139.358 8.201 0.085 1.00 0.00 H new ATOM 163 N SER A 15 135.948 6.689 -3.242 1.00 0.00 N ATOM 164 CA SER A 15 134.858 5.734 -3.416 1.00 0.00 C ATOM 165 C SER A 15 133.890 5.791 -2.239 1.00 0.00 C ATOM 166 O SER A 15 132.711 6.101 -2.407 1.00 0.00 O ATOM 167 CB SER A 15 135.414 4.317 -3.566 1.00 0.00 C ATOM 168 OG SER A 15 136.208 3.959 -2.448 1.00 0.00 O ATOM 0 H SER A 15 136.858 6.264 -3.065 1.00 0.00 H new ATOM 0 HA SER A 15 134.315 6.002 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 15 134.591 3.610 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 15 136.011 4.252 -4.476 1.00 0.00 H new ATOM 0 HG SER A 15 136.550 3.048 -2.568 1.00 0.00 H new ATOM 174 N HIS A 16 134.398 5.491 -1.048 1.00 0.00 N ATOM 175 CA HIS A 16 133.578 5.509 0.159 1.00 0.00 C ATOM 176 C HIS A 16 134.260 6.307 1.267 1.00 0.00 C ATOM 177 O HIS A 16 133.836 7.413 1.599 1.00 0.00 O ATOM 178 CB HIS A 16 133.304 4.080 0.634 1.00 0.00 C ATOM 179 CG HIS A 16 131.900 3.624 0.378 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.007 3.335 1.388 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.237 3.409 -0.782 1.00 0.00 C ATOM 182 CE1 HIS A 16 129.855 2.961 0.860 1.00 0.00 C ATOM 183 NE2 HIS A 16 129.968 2.997 -0.455 1.00 0.00 N ATOM 0 H HIS A 16 135.372 5.233 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 16 132.631 5.992 -0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 16 133.995 3.401 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.510 4.015 1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.632 3.537 -1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 16 128.971 2.675 1.411 1.00 0.00 H new ATOM 0 HE2 HIS A 16 129.233 2.758 -1.120 1.00 0.00 H new ATOM 192 N GLY A 17 135.318 5.736 1.834 1.00 0.00 N ATOM 193 CA GLY A 17 136.041 6.408 2.898 1.00 0.00 C ATOM 194 C GLY A 17 137.368 5.742 3.205 1.00 0.00 C ATOM 195 O GLY A 17 137.614 5.325 4.336 1.00 0.00 O ATOM 0 H GLY A 17 135.687 4.821 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.215 7.446 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.427 6.421 3.799 1.00 0.00 H new ATOM 199 N LEU A 18 138.224 5.641 2.194 1.00 0.00 N ATOM 200 CA LEU A 18 139.533 5.020 2.360 1.00 0.00 C ATOM 201 C LEU A 18 140.585 6.058 2.735 1.00 0.00 C ATOM 202 O LEU A 18 140.997 6.868 1.904 1.00 0.00 O ATOM 203 CB LEU A 18 139.946 4.299 1.074 1.00 0.00 C ATOM 204 CG LEU A 18 138.884 3.370 0.484 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.224 3.020 -0.957 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.754 2.110 1.325 1.00 0.00 C ATOM 0 H LEU A 18 138.035 5.981 1.251 1.00 0.00 H new ATOM 0 HA LEU A 18 139.462 4.293 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.210 5.046 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.845 3.717 1.275 1.00 0.00 H new ATOM 0 HG LEU A 18 137.926 3.890 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.458 2.358 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.267 3.932 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.191 2.519 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 18 137.994 1.460 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.710 1.587 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.465 2.379 2.341 1.00 0.00 H new ATOM 218 N GLU A 19 141.017 6.028 3.992 1.00 0.00 N ATOM 219 CA GLU A 19 142.022 6.965 4.478 1.00 0.00 C ATOM 220 C GLU A 19 143.071 6.248 5.321 1.00 0.00 C ATOM 221 O GLU A 19 143.018 5.031 5.491 1.00 0.00 O ATOM 222 CB GLU A 19 141.360 8.074 5.299 1.00 0.00 C ATOM 223 CG GLU A 19 140.503 7.556 6.441 1.00 0.00 C ATOM 224 CD GLU A 19 139.214 8.339 6.604 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.659 8.787 5.579 1.00 0.00 O ATOM 226 OE2 GLU A 19 138.761 8.502 7.756 1.00 0.00 O ATOM 0 H GLU A 19 140.686 5.364 4.692 1.00 0.00 H new ATOM 0 HA GLU A 19 142.518 7.409 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.134 8.726 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.742 8.683 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 19 140.267 6.506 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 141.073 7.604 7.369 1.00 0.00 H new ATOM 233 N VAL A 20 144.023 7.011 5.846 1.00 0.00 N ATOM 234 CA VAL A 20 145.085 6.447 6.672 1.00 0.00 C ATOM 235 C VAL A 20 144.518 5.816 7.939 1.00 0.00 C ATOM 236 O VAL A 20 143.685 6.411 8.621 1.00 0.00 O ATOM 237 CB VAL A 20 146.122 7.518 7.065 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.296 6.884 7.795 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.598 8.279 5.835 1.00 0.00 C ATOM 0 H VAL A 20 144.082 8.021 5.715 1.00 0.00 H new ATOM 0 HA VAL A 20 145.576 5.679 6.074 1.00 0.00 H new ATOM 0 HB VAL A 20 145.644 8.227 7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 20 148.017 7.656 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.939 6.390 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.775 6.151 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.329 9.030 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.057 7.584 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.748 8.768 5.358 1.00 0.00 H new ATOM 249 N GLY A 21 144.974 4.607 8.247 1.00 0.00 N ATOM 250 CA GLY A 21 144.501 3.914 9.431 1.00 0.00 C ATOM 251 C GLY A 21 143.495 2.828 9.106 1.00 0.00 C ATOM 252 O GLY A 21 143.520 1.751 9.699 1.00 0.00 O ATOM 0 H GLY A 21 145.663 4.094 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.350 3.473 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 21 144.046 4.634 10.112 1.00 0.00 H new ATOM 256 N SER A 22 142.605 3.114 8.159 1.00 0.00 N ATOM 257 CA SER A 22 141.584 2.153 7.757 1.00 0.00 C ATOM 258 C SER A 22 142.168 1.099 6.821 1.00 0.00 C ATOM 259 O SER A 22 143.084 1.379 6.049 1.00 0.00 O ATOM 260 CB SER A 22 140.421 2.872 7.070 1.00 0.00 C ATOM 261 OG SER A 22 139.627 3.571 8.012 1.00 0.00 O ATOM 0 H SER A 22 142.571 4.001 7.657 1.00 0.00 H new ATOM 0 HA SER A 22 141.216 1.654 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.808 3.569 6.327 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.805 2.148 6.537 1.00 0.00 H new ATOM 0 HG SER A 22 138.892 4.023 7.548 1.00 0.00 H new ATOM 267 N LEU A 23 141.632 -0.115 6.897 1.00 0.00 N ATOM 268 CA LEU A 23 142.098 -1.212 6.057 1.00 0.00 C ATOM 269 C LEU A 23 141.431 -1.171 4.687 1.00 0.00 C ATOM 270 O LEU A 23 140.263 -0.802 4.564 1.00 0.00 O ATOM 271 CB LEU A 23 141.820 -2.555 6.734 1.00 0.00 C ATOM 272 CG LEU A 23 142.685 -2.855 7.958 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.930 -3.730 8.945 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.986 -3.523 7.539 1.00 0.00 C ATOM 0 H LEU A 23 140.874 -0.364 7.532 1.00 0.00 H new ATOM 0 HA LEU A 23 143.173 -1.099 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.772 -2.584 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.965 -3.350 6.002 1.00 0.00 H new ATOM 0 HG LEU A 23 142.924 -1.912 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 23 142.562 -3.933 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 23 141.026 -3.215 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.660 -4.670 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 23 144.590 -3.730 8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.765 -4.458 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.536 -2.861 6.870 1.00 0.00 H new ATOM 286 N ALA A 24 142.180 -1.554 3.658 1.00 0.00 N ATOM 287 CA ALA A 24 141.661 -1.562 2.296 1.00 0.00 C ATOM 288 C ALA A 24 142.228 -2.732 1.500 1.00 0.00 C ATOM 289 O ALA A 24 143.420 -3.033 1.583 1.00 0.00 O ATOM 290 CB ALA A 24 141.979 -0.245 1.603 1.00 0.00 C ATOM 0 H ALA A 24 143.148 -1.863 3.742 1.00 0.00 H new ATOM 0 HA ALA A 24 140.579 -1.681 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.586 -0.264 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.520 0.576 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.059 -0.102 1.571 1.00 0.00 H new ATOM 296 N GLU A 25 141.369 -3.388 0.727 1.00 0.00 N ATOM 297 CA GLU A 25 141.786 -4.526 -0.084 1.00 0.00 C ATOM 298 C GLU A 25 141.885 -4.138 -1.555 1.00 0.00 C ATOM 299 O GLU A 25 140.962 -3.548 -2.117 1.00 0.00 O ATOM 300 CB GLU A 25 140.802 -5.686 0.084 1.00 0.00 C ATOM 301 CG GLU A 25 141.261 -6.974 -0.579 1.00 0.00 C ATOM 302 CD GLU A 25 140.550 -7.240 -1.891 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.330 -6.277 -2.654 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.211 -8.414 -2.155 1.00 0.00 O ATOM 0 H GLU A 25 140.380 -3.151 0.645 1.00 0.00 H new ATOM 0 HA GLU A 25 142.772 -4.842 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.648 -5.869 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 25 139.837 -5.396 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.335 -6.924 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.088 -7.809 0.100 1.00 0.00 H new ATOM 311 N VAL A 26 143.013 -4.472 -2.175 1.00 0.00 N ATOM 312 CA VAL A 26 143.234 -4.159 -3.582 1.00 0.00 C ATOM 313 C VAL A 26 142.875 -5.344 -4.470 1.00 0.00 C ATOM 314 O VAL A 26 143.102 -6.498 -4.106 1.00 0.00 O ATOM 315 CB VAL A 26 144.698 -3.759 -3.844 1.00 0.00 C ATOM 316 CG1 VAL A 26 144.864 -3.239 -5.263 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.159 -2.722 -2.830 1.00 0.00 C ATOM 0 H VAL A 26 143.788 -4.959 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 26 142.586 -3.317 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 26 145.323 -4.645 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 26 145.905 -2.961 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 144.578 -4.017 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.228 -2.366 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.196 -2.452 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 144.531 -1.834 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.081 -3.136 -1.825 1.00 0.00 H new ATOM 327 N LYS A 27 142.313 -5.052 -5.639 1.00 0.00 N ATOM 328 CA LYS A 27 141.922 -6.094 -6.581 1.00 0.00 C ATOM 329 C LYS A 27 143.099 -6.503 -7.462 1.00 0.00 C ATOM 330 O LYS A 27 143.028 -6.423 -8.689 1.00 0.00 O ATOM 331 CB LYS A 27 140.758 -5.616 -7.450 1.00 0.00 C ATOM 332 CG LYS A 27 139.941 -6.748 -8.051 1.00 0.00 C ATOM 333 CD LYS A 27 138.455 -6.426 -8.056 1.00 0.00 C ATOM 334 CE LYS A 27 138.093 -5.490 -9.199 1.00 0.00 C ATOM 335 NZ LYS A 27 136.757 -5.806 -9.773 1.00 0.00 N ATOM 0 H LYS A 27 142.118 -4.102 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 27 141.603 -6.965 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.102 -4.985 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.149 -4.994 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.276 -6.937 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.114 -7.663 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 27 137.882 -7.349 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 27 138.177 -5.968 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.100 -4.460 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.850 -5.561 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.548 -5.146 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 136.757 -6.780 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 136.031 -5.713 -9.034 1.00 0.00 H new ATOM 349 N GLU A 28 144.182 -6.941 -6.829 1.00 0.00 N ATOM 350 CA GLU A 28 145.374 -7.363 -7.554 1.00 0.00 C ATOM 351 C GLU A 28 145.422 -8.882 -7.682 1.00 0.00 C ATOM 352 O GLU A 28 144.507 -9.581 -7.248 1.00 0.00 O ATOM 353 CB GLU A 28 146.634 -6.857 -6.845 1.00 0.00 C ATOM 354 CG GLU A 28 147.639 -6.209 -7.782 1.00 0.00 C ATOM 355 CD GLU A 28 148.605 -5.292 -7.057 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.440 -5.803 -6.282 1.00 0.00 O ATOM 357 OE2 GLU A 28 148.525 -4.063 -7.264 1.00 0.00 O ATOM 0 H GLU A 28 144.258 -7.013 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 28 145.333 -6.933 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.346 -6.136 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.113 -7.692 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.201 -6.986 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.106 -5.640 -8.544 1.00 0.00 H new ATOM 364 N ASN A 29 146.495 -9.387 -8.282 1.00 0.00 N ATOM 365 CA ASN A 29 146.661 -10.823 -8.467 1.00 0.00 C ATOM 366 C ASN A 29 146.743 -11.539 -7.120 1.00 0.00 C ATOM 367 O ASN A 29 145.928 -12.410 -6.820 1.00 0.00 O ATOM 368 CB ASN A 29 147.918 -11.112 -9.291 1.00 0.00 C ATOM 369 CG ASN A 29 147.608 -11.324 -10.760 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.598 -12.454 -11.248 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.356 -10.233 -11.475 1.00 0.00 N ATOM 0 H ASN A 29 147.262 -8.823 -8.648 1.00 0.00 H new ATOM 0 HA ASN A 29 145.790 -11.198 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.617 -10.282 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.413 -11.999 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.144 -10.313 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.375 -9.316 -11.030 1.00 0.00 H new ATOM 378 N PRO A 30 147.733 -11.175 -6.287 1.00 0.00 N ATOM 379 CA PRO A 30 147.919 -11.784 -4.967 1.00 0.00 C ATOM 380 C PRO A 30 146.921 -11.253 -3.938 1.00 0.00 C ATOM 381 O PRO A 30 147.010 -10.099 -3.519 1.00 0.00 O ATOM 382 CB PRO A 30 149.341 -11.369 -4.593 1.00 0.00 C ATOM 383 CG PRO A 30 149.544 -10.067 -5.286 1.00 0.00 C ATOM 384 CD PRO A 30 148.751 -10.141 -6.565 1.00 0.00 C ATOM 0 HA PRO A 30 147.762 -12.862 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.453 -11.266 -3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.070 -12.111 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.204 -9.239 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.601 -9.897 -5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.292 -9.182 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.381 -10.416 -7.411 1.00 0.00 H new ATOM 392 N PRO A 31 145.956 -12.087 -3.514 1.00 0.00 N ATOM 393 CA PRO A 31 144.946 -11.687 -2.529 1.00 0.00 C ATOM 394 C PRO A 31 145.541 -11.490 -1.138 1.00 0.00 C ATOM 395 O PRO A 31 145.621 -12.431 -0.349 1.00 0.00 O ATOM 396 CB PRO A 31 143.962 -12.857 -2.529 1.00 0.00 C ATOM 397 CG PRO A 31 144.764 -14.027 -2.981 1.00 0.00 C ATOM 398 CD PRO A 31 145.771 -13.483 -3.957 1.00 0.00 C ATOM 0 HA PRO A 31 144.488 -10.731 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.545 -13.023 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.124 -12.669 -3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.258 -14.511 -2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.129 -14.777 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.706 -14.042 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.405 -13.534 -4.982 1.00 0.00 H new ATOM 406 N PHE A 32 145.954 -10.262 -0.844 1.00 0.00 N ATOM 407 CA PHE A 32 146.541 -9.942 0.452 1.00 0.00 C ATOM 408 C PHE A 32 145.685 -8.925 1.201 1.00 0.00 C ATOM 409 O PHE A 32 144.726 -8.383 0.652 1.00 0.00 O ATOM 410 CB PHE A 32 147.959 -9.398 0.273 1.00 0.00 C ATOM 411 CG PHE A 32 148.045 -8.250 -0.693 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.495 -7.019 -0.376 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.676 -8.404 -1.917 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.573 -5.962 -1.262 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.757 -7.350 -2.808 1.00 0.00 C ATOM 416 CZ PHE A 32 148.205 -6.127 -2.480 1.00 0.00 C ATOM 0 H PHE A 32 145.893 -9.472 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 32 146.582 -10.859 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.341 -9.076 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.607 -10.203 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.000 -6.884 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.109 -9.358 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.140 -5.007 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.251 -7.483 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.267 -5.302 -3.174 1.00 0.00 H new ATOM 426 N TYR A 33 146.038 -8.673 2.456 1.00 0.00 N ATOM 427 CA TYR A 33 145.302 -7.722 3.281 1.00 0.00 C ATOM 428 C TYR A 33 146.253 -6.758 3.983 1.00 0.00 C ATOM 429 O TYR A 33 147.107 -7.174 4.765 1.00 0.00 O ATOM 430 CB TYR A 33 144.453 -8.462 4.315 1.00 0.00 C ATOM 431 CG TYR A 33 143.141 -8.978 3.767 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.290 -8.145 3.051 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.756 -10.298 3.963 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.092 -8.612 2.547 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.559 -10.773 3.462 1.00 0.00 C ATOM 436 CZ TYR A 33 140.731 -9.927 2.755 1.00 0.00 C ATOM 437 OH TYR A 33 139.538 -10.397 2.256 1.00 0.00 O ATOM 0 H TYR A 33 146.829 -9.114 2.925 1.00 0.00 H new ATOM 0 HA TYR A 33 144.647 -7.145 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.027 -9.300 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.249 -7.793 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.570 -7.115 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.402 -10.964 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.441 -7.951 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.273 -11.802 3.623 1.00 0.00 H new ATOM 0 HH TYR A 33 139.436 -11.343 2.489 1.00 0.00 H new ATOM 447 N GLY A 34 146.099 -5.469 3.698 1.00 0.00 N ATOM 448 CA GLY A 34 146.951 -4.466 4.310 1.00 0.00 C ATOM 449 C GLY A 34 146.174 -3.251 4.775 1.00 0.00 C ATOM 450 O GLY A 34 144.997 -3.095 4.450 1.00 0.00 O ATOM 0 H GLY A 34 145.399 -5.101 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.473 -4.906 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.712 -4.155 3.595 1.00 0.00 H new ATOM 454 N VAL A 35 146.834 -2.386 5.539 1.00 0.00 N ATOM 455 CA VAL A 35 146.199 -1.178 6.051 1.00 0.00 C ATOM 456 C VAL A 35 146.808 0.071 5.421 1.00 0.00 C ATOM 457 O VAL A 35 148.011 0.125 5.164 1.00 0.00 O ATOM 458 CB VAL A 35 146.323 -1.085 7.585 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.784 -1.017 8.004 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.552 0.115 8.113 1.00 0.00 C ATOM 0 H VAL A 35 147.809 -2.500 5.817 1.00 0.00 H new ATOM 0 HA VAL A 35 145.144 -1.236 5.785 1.00 0.00 H new ATOM 0 HB VAL A 35 145.889 -1.986 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.848 -0.952 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.302 -1.913 7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 148.249 -0.137 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.652 0.163 9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.952 1.028 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.499 0.015 7.850 1.00 0.00 H new ATOM 470 N ILE A 36 145.971 1.073 5.176 1.00 0.00 N ATOM 471 CA ILE A 36 146.429 2.321 4.577 1.00 0.00 C ATOM 472 C ILE A 36 147.374 3.064 5.516 1.00 0.00 C ATOM 473 O ILE A 36 147.092 3.216 6.705 1.00 0.00 O ATOM 474 CB ILE A 36 145.246 3.243 4.222 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.208 2.484 3.392 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.738 4.471 3.468 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.999 3.317 3.025 1.00 0.00 C ATOM 0 H ILE A 36 144.973 1.045 5.383 1.00 0.00 H new ATOM 0 HA ILE A 36 146.960 2.057 3.662 1.00 0.00 H new ATOM 0 HB ILE A 36 144.773 3.573 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.680 2.122 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.879 1.608 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.891 5.112 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.443 5.022 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.233 4.159 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.307 2.714 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.503 3.658 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.316 4.180 2.439 1.00 0.00 H new ATOM 489 N ARG A 37 148.499 3.521 4.974 1.00 0.00 N ATOM 490 CA ARG A 37 149.487 4.246 5.763 1.00 0.00 C ATOM 491 C ARG A 37 149.637 5.680 5.265 1.00 0.00 C ATOM 492 O ARG A 37 149.354 6.632 5.992 1.00 0.00 O ATOM 493 CB ARG A 37 150.838 3.530 5.706 1.00 0.00 C ATOM 494 CG ARG A 37 150.753 2.046 6.021 1.00 0.00 C ATOM 495 CD ARG A 37 150.195 1.803 7.414 1.00 0.00 C ATOM 496 NE ARG A 37 151.099 2.281 8.457 1.00 0.00 N ATOM 497 CZ ARG A 37 150.986 1.952 9.743 1.00 0.00 C ATOM 498 NH1 ARG A 37 150.012 1.148 10.146 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.853 2.429 10.626 1.00 0.00 N ATOM 0 H ARG A 37 148.748 3.402 3.992 1.00 0.00 H new ATOM 0 HA ARG A 37 149.141 4.275 6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.266 3.658 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.521 4.004 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 37 150.121 1.552 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.744 1.599 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.232 2.304 7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 37 150.015 0.737 7.551 1.00 0.00 H new ATOM 0 HE ARG A 37 151.861 2.903 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 37 149.344 0.778 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.931 0.900 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.605 3.047 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.768 2.178 11.611 1.00 0.00 H new ATOM 513 N TRP A 38 150.084 5.827 4.022 1.00 0.00 N ATOM 514 CA TRP A 38 150.270 7.146 3.428 1.00 0.00 C ATOM 515 C TRP A 38 149.501 7.268 2.117 1.00 0.00 C ATOM 516 O TRP A 38 149.565 6.385 1.262 1.00 0.00 O ATOM 517 CB TRP A 38 151.761 7.418 3.190 1.00 0.00 C ATOM 518 CG TRP A 38 152.021 8.634 2.350 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.212 9.911 2.791 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.116 8.683 0.922 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.417 10.753 1.725 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.363 10.022 0.565 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.014 7.725 -0.090 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.511 10.424 -0.760 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.162 8.125 -1.405 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.408 9.465 -1.729 1.00 0.00 C ATOM 0 H TRP A 38 150.324 5.050 3.407 1.00 0.00 H new ATOM 0 HA TRP A 38 149.880 7.888 4.125 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.258 7.538 4.152 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.208 6.550 2.706 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.203 10.216 3.827 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.582 11.758 1.786 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.823 6.690 0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.700 11.457 -1.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.087 7.392 -2.195 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.519 9.747 -2.766 1.00 0.00 H new ATOM 537 N ILE A 39 148.781 8.374 1.963 1.00 0.00 N ATOM 538 CA ILE A 39 148.004 8.624 0.756 1.00 0.00 C ATOM 539 C ILE A 39 148.406 9.950 0.121 1.00 0.00 C ATOM 540 O ILE A 39 148.069 11.019 0.631 1.00 0.00 O ATOM 541 CB ILE A 39 146.492 8.645 1.051 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.088 7.406 1.853 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.699 8.725 -0.245 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.772 7.560 2.583 1.00 0.00 C ATOM 0 H ILE A 39 148.720 9.114 2.662 1.00 0.00 H new ATOM 0 HA ILE A 39 148.215 7.808 0.065 1.00 0.00 H new ATOM 0 HB ILE A 39 146.267 9.530 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.022 6.552 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.871 7.181 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.633 8.739 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.968 9.635 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.927 7.858 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.550 6.644 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.840 8.393 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.977 7.755 1.863 1.00 0.00 H new ATOM 556 N GLY A 40 149.135 9.876 -0.987 1.00 0.00 N ATOM 557 CA GLY A 40 149.575 11.083 -1.663 1.00 0.00 C ATOM 558 C GLY A 40 150.097 10.816 -3.060 1.00 0.00 C ATOM 559 O GLY A 40 149.921 9.724 -3.600 1.00 0.00 O ATOM 0 H GLY A 40 149.429 9.005 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.744 11.786 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.357 11.560 -1.073 1.00 0.00 H new ATOM 563 N GLN A 41 150.741 11.820 -3.644 1.00 0.00 N ATOM 564 CA GLN A 41 151.294 11.701 -4.987 1.00 0.00 C ATOM 565 C GLN A 41 152.768 12.102 -5.001 1.00 0.00 C ATOM 566 O GLN A 41 153.105 13.259 -4.749 1.00 0.00 O ATOM 567 CB GLN A 41 150.504 12.581 -5.956 1.00 0.00 C ATOM 568 CG GLN A 41 148.998 12.402 -5.849 1.00 0.00 C ATOM 569 CD GLN A 41 148.246 13.712 -5.972 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.223 14.518 -5.040 1.00 0.00 O ATOM 571 NE2 GLN A 41 147.627 13.933 -7.125 1.00 0.00 N ATOM 0 H GLN A 41 150.893 12.729 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 41 151.216 10.660 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.752 13.626 -5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.817 12.356 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.661 11.719 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.758 11.938 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 147.673 13.238 -7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.106 14.798 -7.266 1.00 0.00 H new ATOM 580 N PRO A 42 153.674 11.150 -5.295 1.00 0.00 N ATOM 581 CA PRO A 42 155.115 11.422 -5.336 1.00 0.00 C ATOM 582 C PRO A 42 155.468 12.529 -6.324 1.00 0.00 C ATOM 583 O PRO A 42 154.696 12.830 -7.233 1.00 0.00 O ATOM 584 CB PRO A 42 155.723 10.089 -5.787 1.00 0.00 C ATOM 585 CG PRO A 42 154.699 9.066 -5.440 1.00 0.00 C ATOM 586 CD PRO A 42 153.371 9.743 -5.609 1.00 0.00 C ATOM 0 HA PRO A 42 155.488 11.769 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 42 155.932 10.092 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.667 9.892 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.780 8.195 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.830 8.713 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 42 152.986 9.630 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.620 9.332 -4.935 1.00 0.00 H new ATOM 594 N PRO A 43 156.647 13.151 -6.158 1.00 0.00 N ATOM 595 CA PRO A 43 157.102 14.228 -7.040 1.00 0.00 C ATOM 596 C PRO A 43 157.497 13.719 -8.421 1.00 0.00 C ATOM 597 O PRO A 43 158.662 13.408 -8.668 1.00 0.00 O ATOM 598 CB PRO A 43 158.322 14.792 -6.312 1.00 0.00 C ATOM 599 CG PRO A 43 158.835 13.657 -5.497 1.00 0.00 C ATOM 600 CD PRO A 43 157.629 12.850 -5.098 1.00 0.00 C ATOM 0 HA PRO A 43 156.318 14.963 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.075 15.146 -7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.051 15.640 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.537 13.051 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.370 14.018 -4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.856 11.785 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.259 13.140 -4.114 1.00 0.00 H new ATOM 608 N GLY A 44 156.521 13.636 -9.317 1.00 0.00 N ATOM 609 CA GLY A 44 156.790 13.162 -10.661 1.00 0.00 C ATOM 610 C GLY A 44 155.552 12.623 -11.346 1.00 0.00 C ATOM 611 O GLY A 44 155.237 13.014 -12.471 1.00 0.00 O ATOM 0 H GLY A 44 155.549 13.888 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.203 13.978 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.549 12.380 -10.622 1.00 0.00 H new ATOM 615 N LEU A 45 154.848 11.724 -10.670 1.00 0.00 N ATOM 616 CA LEU A 45 153.637 11.131 -11.224 1.00 0.00 C ATOM 617 C LEU A 45 152.440 11.401 -10.319 1.00 0.00 C ATOM 618 O LEU A 45 152.369 10.888 -9.203 1.00 0.00 O ATOM 619 CB LEU A 45 153.820 9.623 -11.409 1.00 0.00 C ATOM 620 CG LEU A 45 154.384 8.886 -10.192 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.025 7.407 -10.247 1.00 0.00 C ATOM 622 CD2 LEU A 45 155.893 9.072 -10.107 1.00 0.00 C ATOM 0 H LEU A 45 155.094 11.390 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 45 153.449 11.588 -12.195 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.856 9.184 -11.666 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.484 9.454 -12.257 1.00 0.00 H new ATOM 0 HG LEU A 45 153.936 9.312 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.435 6.900 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 152.941 7.296 -10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.442 6.965 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.277 8.541 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.360 8.675 -11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.124 10.133 -10.016 1.00 0.00 H new ATOM 634 N ASN A 46 151.505 12.210 -10.803 1.00 0.00 N ATOM 635 CA ASN A 46 150.318 12.539 -10.025 1.00 0.00 C ATOM 636 C ASN A 46 149.367 11.349 -9.971 1.00 0.00 C ATOM 637 O ASN A 46 148.723 11.008 -10.964 1.00 0.00 O ATOM 638 CB ASN A 46 149.608 13.751 -10.630 1.00 0.00 C ATOM 639 CG ASN A 46 148.879 14.574 -9.586 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.654 14.691 -9.615 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.632 15.152 -8.657 1.00 0.00 N ATOM 0 H ASN A 46 151.545 12.647 -11.724 1.00 0.00 H new ATOM 0 HA ASN A 46 150.629 12.782 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.338 14.380 -11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 46 148.897 13.413 -11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.198 15.720 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.644 15.028 -8.671 1.00 0.00 H new ATOM 648 N GLU A 47 149.285 10.721 -8.804 1.00 0.00 N ATOM 649 CA GLU A 47 148.415 9.568 -8.612 1.00 0.00 C ATOM 650 C GLU A 47 148.262 9.248 -7.130 1.00 0.00 C ATOM 651 O GLU A 47 149.245 8.978 -6.440 1.00 0.00 O ATOM 652 CB GLU A 47 148.970 8.349 -9.354 1.00 0.00 C ATOM 653 CG GLU A 47 150.485 8.230 -9.290 1.00 0.00 C ATOM 654 CD GLU A 47 151.036 7.254 -10.311 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.168 7.641 -11.491 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.336 6.103 -9.930 1.00 0.00 O ATOM 0 H GLU A 47 149.812 10.992 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 47 147.434 9.813 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.526 7.446 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.662 8.400 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 47 150.930 9.211 -9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.779 7.909 -8.291 1.00 0.00 H new ATOM 663 N VAL A 48 147.026 9.273 -6.644 1.00 0.00 N ATOM 664 CA VAL A 48 146.758 8.977 -5.243 1.00 0.00 C ATOM 665 C VAL A 48 147.120 7.533 -4.918 1.00 0.00 C ATOM 666 O VAL A 48 146.338 6.615 -5.169 1.00 0.00 O ATOM 667 CB VAL A 48 145.279 9.219 -4.888 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.066 9.114 -3.386 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.820 10.574 -5.405 1.00 0.00 C ATOM 0 H VAL A 48 146.198 9.494 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 48 147.376 9.651 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 48 144.678 8.449 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.015 9.288 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.352 8.119 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.678 9.860 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.773 10.727 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.425 11.360 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 48 144.933 10.607 -6.489 1.00 0.00 H new ATOM 679 N LEU A 49 148.309 7.339 -4.362 1.00 0.00 N ATOM 680 CA LEU A 49 148.777 6.005 -4.005 1.00 0.00 C ATOM 681 C LEU A 49 148.742 5.809 -2.496 1.00 0.00 C ATOM 682 O LEU A 49 149.455 6.486 -1.756 1.00 0.00 O ATOM 683 CB LEU A 49 150.197 5.781 -4.528 1.00 0.00 C ATOM 684 CG LEU A 49 150.343 5.837 -6.050 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.745 6.281 -6.435 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.022 4.483 -6.664 1.00 0.00 C ATOM 0 H LEU A 49 148.967 8.088 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 49 148.111 5.276 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.853 6.532 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.547 4.809 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 49 149.634 6.568 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 49 151.830 6.315 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 49 151.938 7.272 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.473 5.575 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.131 4.540 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.707 3.733 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 148.998 4.205 -6.416 1.00 0.00 H new ATOM 698 N ALA A 50 147.908 4.880 -2.044 1.00 0.00 N ATOM 699 CA ALA A 50 147.783 4.602 -0.621 1.00 0.00 C ATOM 700 C ALA A 50 148.733 3.488 -0.195 1.00 0.00 C ATOM 701 O ALA A 50 148.596 2.343 -0.625 1.00 0.00 O ATOM 702 CB ALA A 50 146.347 4.234 -0.280 1.00 0.00 C ATOM 0 H ALA A 50 147.310 4.309 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 50 148.055 5.504 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.268 4.029 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.688 5.062 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.055 3.347 -0.843 1.00 0.00 H new ATOM 708 N GLY A 51 149.697 3.832 0.653 1.00 0.00 N ATOM 709 CA GLY A 51 150.656 2.850 1.123 1.00 0.00 C ATOM 710 C GLY A 51 150.023 1.805 2.019 1.00 0.00 C ATOM 711 O GLY A 51 149.665 2.092 3.162 1.00 0.00 O ATOM 0 H GLY A 51 149.831 4.773 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.118 2.358 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.453 3.357 1.667 1.00 0.00 H new ATOM 715 N LEU A 52 149.882 0.589 1.501 1.00 0.00 N ATOM 716 CA LEU A 52 149.286 -0.502 2.264 1.00 0.00 C ATOM 717 C LEU A 52 150.362 -1.350 2.933 1.00 0.00 C ATOM 718 O LEU A 52 151.348 -1.734 2.303 1.00 0.00 O ATOM 719 CB LEU A 52 148.423 -1.376 1.353 1.00 0.00 C ATOM 720 CG LEU A 52 147.132 -0.721 0.860 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.434 -1.615 -0.154 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.209 -0.418 2.031 1.00 0.00 C ATOM 0 H LEU A 52 150.172 0.334 0.557 1.00 0.00 H new ATOM 0 HA LEU A 52 148.657 -0.068 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 52 149.017 -1.669 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.167 -2.290 1.888 1.00 0.00 H new ATOM 0 HG LEU A 52 147.387 0.219 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.517 -1.133 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.093 -1.783 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.191 -2.571 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.295 0.048 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.961 -1.345 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.709 0.260 2.722 1.00 0.00 H new ATOM 734 N GLU A 53 150.166 -1.641 4.216 1.00 0.00 N ATOM 735 CA GLU A 53 151.119 -2.445 4.972 1.00 0.00 C ATOM 736 C GLU A 53 150.624 -3.880 5.117 1.00 0.00 C ATOM 737 O GLU A 53 149.715 -4.158 5.899 1.00 0.00 O ATOM 738 CB GLU A 53 151.353 -1.830 6.353 1.00 0.00 C ATOM 739 CG GLU A 53 152.363 -2.593 7.195 1.00 0.00 C ATOM 740 CD GLU A 53 151.997 -2.614 8.666 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.327 -1.665 9.126 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.380 -3.580 9.360 1.00 0.00 O ATOM 0 H GLU A 53 149.356 -1.332 4.753 1.00 0.00 H new ATOM 0 HA GLU A 53 152.061 -2.459 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.696 -0.803 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.404 -1.787 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.437 -3.617 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.347 -2.139 7.075 1.00 0.00 H new ATOM 749 N LEU A 54 151.229 -4.789 4.359 1.00 0.00 N ATOM 750 CA LEU A 54 150.850 -6.196 4.403 1.00 0.00 C ATOM 751 C LEU A 54 151.179 -6.805 5.763 1.00 0.00 C ATOM 752 O LEU A 54 152.268 -6.599 6.300 1.00 0.00 O ATOM 753 CB LEU A 54 151.564 -6.973 3.296 1.00 0.00 C ATOM 754 CG LEU A 54 151.397 -6.396 1.889 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.493 -6.907 0.968 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.025 -6.742 1.331 1.00 0.00 C ATOM 0 H LEU A 54 151.984 -4.576 3.707 1.00 0.00 H new ATOM 0 HA LEU A 54 149.773 -6.262 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.628 -7.016 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.196 -7.999 3.298 1.00 0.00 H new ATOM 0 HG LEU A 54 151.480 -5.311 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.357 -6.486 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.466 -6.608 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.443 -7.994 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.923 -6.324 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.914 -7.825 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.253 -6.325 1.978 1.00 0.00 H new ATOM 768 N GLU A 55 150.231 -7.556 6.314 1.00 0.00 N ATOM 769 CA GLU A 55 150.420 -8.196 7.610 1.00 0.00 C ATOM 770 C GLU A 55 151.540 -9.230 7.551 1.00 0.00 C ATOM 771 O GLU A 55 152.232 -9.466 8.542 1.00 0.00 O ATOM 772 CB GLU A 55 149.120 -8.861 8.068 1.00 0.00 C ATOM 773 CG GLU A 55 148.144 -7.900 8.725 1.00 0.00 C ATOM 774 CD GLU A 55 148.143 -8.013 10.237 1.00 0.00 C ATOM 775 OE1 GLU A 55 149.238 -7.979 10.837 1.00 0.00 O ATOM 776 OE2 GLU A 55 147.046 -8.137 10.823 1.00 0.00 O ATOM 0 H GLU A 55 149.324 -7.736 5.883 1.00 0.00 H new ATOM 0 HA GLU A 55 150.700 -7.426 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.637 -9.325 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.358 -9.660 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.398 -6.879 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.140 -8.095 8.349 1.00 0.00 H new ATOM 783 N ASP A 56 151.713 -9.843 6.385 1.00 0.00 N ATOM 784 CA ASP A 56 152.748 -10.852 6.199 1.00 0.00 C ATOM 785 C ASP A 56 153.972 -10.256 5.509 1.00 0.00 C ATOM 786 O ASP A 56 153.857 -9.318 4.722 1.00 0.00 O ATOM 787 CB ASP A 56 152.207 -12.024 5.379 1.00 0.00 C ATOM 788 CG ASP A 56 152.759 -13.358 5.842 1.00 0.00 C ATOM 789 OD1 ASP A 56 153.839 -13.754 5.355 1.00 0.00 O ATOM 790 OD2 ASP A 56 152.112 -14.007 6.689 1.00 0.00 O ATOM 0 H ASP A 56 151.150 -9.658 5.555 1.00 0.00 H new ATOM 0 HA ASP A 56 153.047 -11.214 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.119 -12.040 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.458 -11.875 4.329 1.00 0.00 H new ATOM 795 N GLU A 57 155.142 -10.810 5.811 1.00 0.00 N ATOM 796 CA GLU A 57 156.387 -10.334 5.219 1.00 0.00 C ATOM 797 C GLU A 57 156.650 -11.019 3.882 1.00 0.00 C ATOM 798 O GLU A 57 156.986 -12.203 3.836 1.00 0.00 O ATOM 799 CB GLU A 57 157.558 -10.584 6.172 1.00 0.00 C ATOM 800 CG GLU A 57 157.490 -9.760 7.448 1.00 0.00 C ATOM 801 CD GLU A 57 158.429 -10.272 8.522 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.608 -10.536 8.205 1.00 0.00 O ATOM 803 OE2 GLU A 57 157.985 -10.409 9.682 1.00 0.00 O ATOM 0 H GLU A 57 155.254 -11.588 6.461 1.00 0.00 H new ATOM 0 HA GLU A 57 156.291 -9.262 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.584 -11.642 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.491 -10.361 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.735 -8.723 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.469 -9.770 7.829 1.00 0.00 H new ATOM 810 N CYS A 58 156.495 -10.269 2.797 1.00 0.00 N ATOM 811 CA CYS A 58 156.716 -10.804 1.459 1.00 0.00 C ATOM 812 C CYS A 58 157.997 -10.242 0.851 1.00 0.00 C ATOM 813 O CYS A 58 158.317 -9.067 1.030 1.00 0.00 O ATOM 814 CB CYS A 58 155.524 -10.482 0.554 1.00 0.00 C ATOM 815 SG CYS A 58 154.176 -11.683 0.653 1.00 0.00 S ATOM 0 H CYS A 58 156.217 -9.288 2.818 1.00 0.00 H new ATOM 0 HA CYS A 58 156.819 -11.886 1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 58 155.138 -9.497 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.870 -10.425 -0.478 1.00 0.00 H new ATOM 0 HG CYS A 58 153.215 -11.323 -0.145 1.00 0.00 H new ATOM 821 N ALA A 59 158.726 -11.089 0.133 1.00 0.00 N ATOM 822 CA ALA A 59 159.972 -10.677 -0.502 1.00 0.00 C ATOM 823 C ALA A 59 159.708 -9.725 -1.664 1.00 0.00 C ATOM 824 O ALA A 59 159.129 -10.113 -2.678 1.00 0.00 O ATOM 825 CB ALA A 59 160.747 -11.895 -0.981 1.00 0.00 C ATOM 0 H ALA A 59 158.475 -12.065 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 59 160.571 -10.147 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.675 -11.573 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.976 -12.538 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.146 -12.448 -1.703 1.00 0.00 H new ATOM 831 N GLY A 60 160.136 -8.476 -1.508 1.00 0.00 N ATOM 832 CA GLY A 60 159.937 -7.489 -2.551 1.00 0.00 C ATOM 833 C GLY A 60 159.402 -6.175 -2.012 1.00 0.00 C ATOM 834 O GLY A 60 159.649 -5.115 -2.587 1.00 0.00 O ATOM 0 H GLY A 60 160.617 -8.131 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.883 -7.310 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.243 -7.884 -3.293 1.00 0.00 H new ATOM 838 N CYS A 61 158.669 -6.247 -0.907 1.00 0.00 N ATOM 839 CA CYS A 61 158.098 -5.055 -0.290 1.00 0.00 C ATOM 840 C CYS A 61 159.175 -4.242 0.422 1.00 0.00 C ATOM 841 O CYS A 61 160.259 -4.749 0.712 1.00 0.00 O ATOM 842 CB CYS A 61 156.999 -5.444 0.700 1.00 0.00 C ATOM 843 SG CYS A 61 155.806 -6.635 0.046 1.00 0.00 S ATOM 0 H CYS A 61 158.456 -7.118 -0.420 1.00 0.00 H new ATOM 0 HA CYS A 61 157.665 -4.440 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.461 -5.862 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.467 -4.544 1.008 1.00 0.00 H new ATOM 0 HG CYS A 61 154.729 -6.010 -0.327 1.00 0.00 H new ATOM 849 N THR A 62 158.869 -2.979 0.700 1.00 0.00 N ATOM 850 CA THR A 62 159.811 -2.096 1.378 1.00 0.00 C ATOM 851 C THR A 62 159.450 -1.944 2.852 1.00 0.00 C ATOM 852 O THR A 62 158.508 -2.571 3.338 1.00 0.00 O ATOM 853 CB THR A 62 159.834 -0.725 0.702 1.00 0.00 C ATOM 854 OG1 THR A 62 158.569 -0.422 0.140 1.00 0.00 O ATOM 855 CG2 THR A 62 160.865 -0.617 -0.400 1.00 0.00 C ATOM 0 H THR A 62 157.976 -2.544 0.466 1.00 0.00 H new ATOM 0 HA THR A 62 160.803 -2.543 1.310 1.00 0.00 H new ATOM 0 HB THR A 62 160.095 -0.019 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.564 0.507 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.827 0.381 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.858 -0.796 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.653 -1.358 -1.170 1.00 0.00 H new ATOM 863 N ASP A 63 160.204 -1.108 3.557 1.00 0.00 N ATOM 864 CA ASP A 63 159.963 -0.873 4.977 1.00 0.00 C ATOM 865 C ASP A 63 159.263 0.463 5.197 1.00 0.00 C ATOM 866 O ASP A 63 159.501 1.144 6.194 1.00 0.00 O ATOM 867 CB ASP A 63 161.283 -0.905 5.752 1.00 0.00 C ATOM 868 CG ASP A 63 162.354 -0.050 5.104 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.175 1.185 5.048 1.00 0.00 O ATOM 870 OD2 ASP A 63 163.372 -0.615 4.652 1.00 0.00 O ATOM 0 H ASP A 63 160.987 -0.582 3.169 1.00 0.00 H new ATOM 0 HA ASP A 63 159.314 -1.667 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 63 161.112 -0.558 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.636 -1.934 5.821 1.00 0.00 H new ATOM 875 N GLY A 64 158.398 0.833 4.258 1.00 0.00 N ATOM 876 CA GLY A 64 157.676 2.087 4.367 1.00 0.00 C ATOM 877 C GLY A 64 158.318 3.199 3.562 1.00 0.00 C ATOM 878 O GLY A 64 158.413 4.336 4.025 1.00 0.00 O ATOM 0 H GLY A 64 158.184 0.287 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.650 1.943 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.626 2.384 5.415 1.00 0.00 H new ATOM 882 N THR A 65 158.763 2.871 2.353 1.00 0.00 N ATOM 883 CA THR A 65 159.400 3.850 1.481 1.00 0.00 C ATOM 884 C THR A 65 159.035 3.600 0.022 1.00 0.00 C ATOM 885 O THR A 65 159.312 2.531 -0.524 1.00 0.00 O ATOM 886 CB THR A 65 160.919 3.805 1.652 1.00 0.00 C ATOM 887 OG1 THR A 65 161.395 2.473 1.559 1.00 0.00 O ATOM 888 CG2 THR A 65 161.390 4.368 2.976 1.00 0.00 C ATOM 0 H THR A 65 158.694 1.934 1.955 1.00 0.00 H new ATOM 0 HA THR A 65 159.038 4.839 1.763 1.00 0.00 H new ATOM 0 HB THR A 65 161.318 4.425 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.913 2.002 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.477 4.306 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.082 5.410 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.951 3.794 3.792 1.00 0.00 H new ATOM 896 N PHE A 66 158.411 4.591 -0.606 1.00 0.00 N ATOM 897 CA PHE A 66 158.008 4.479 -2.003 1.00 0.00 C ATOM 898 C PHE A 66 159.094 5.022 -2.927 1.00 0.00 C ATOM 899 O PHE A 66 159.201 6.230 -3.130 1.00 0.00 O ATOM 900 CB PHE A 66 156.697 5.230 -2.241 1.00 0.00 C ATOM 901 CG PHE A 66 156.012 4.848 -3.522 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.849 3.516 -3.865 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.529 5.822 -4.381 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.218 3.161 -5.042 1.00 0.00 C ATOM 905 CE2 PHE A 66 154.899 5.474 -5.560 1.00 0.00 C ATOM 906 CZ PHE A 66 154.742 4.141 -5.892 1.00 0.00 C ATOM 0 H PHE A 66 158.173 5.482 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 66 157.858 3.423 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.022 5.040 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.898 6.301 -2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.219 2.746 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.646 6.865 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.097 2.119 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.529 6.243 -6.222 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.249 3.867 -6.813 1.00 0.00 H new ATOM 916 N ARG A 67 159.896 4.119 -3.483 1.00 0.00 N ATOM 917 CA ARG A 67 160.973 4.509 -4.386 1.00 0.00 C ATOM 918 C ARG A 67 161.960 5.438 -3.686 1.00 0.00 C ATOM 919 O ARG A 67 162.592 6.281 -4.322 1.00 0.00 O ATOM 920 CB ARG A 67 160.404 5.194 -5.629 1.00 0.00 C ATOM 921 CG ARG A 67 159.247 4.438 -6.263 1.00 0.00 C ATOM 922 CD ARG A 67 158.335 5.371 -7.047 1.00 0.00 C ATOM 923 NE ARG A 67 158.608 5.327 -8.481 1.00 0.00 N ATOM 924 CZ ARG A 67 158.258 4.314 -9.271 1.00 0.00 C ATOM 925 NH1 ARG A 67 157.622 3.261 -8.771 1.00 0.00 N ATOM 926 NH2 ARG A 67 158.544 4.354 -10.566 1.00 0.00 N ATOM 0 H ARG A 67 159.821 3.114 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 67 161.503 3.606 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.069 6.196 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.199 5.310 -6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.636 3.665 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.672 3.933 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.295 5.097 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.463 6.391 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 67 159.095 6.118 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 67 157.399 3.225 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 67 157.357 2.488 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 67 159.032 5.161 -10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 67 158.276 3.578 -11.172 1.00 0.00 H new ATOM 940 N GLY A 68 162.086 5.279 -2.372 1.00 0.00 N ATOM 941 CA GLY A 68 162.998 6.111 -1.610 1.00 0.00 C ATOM 942 C GLY A 68 162.279 7.180 -0.808 1.00 0.00 C ATOM 943 O GLY A 68 162.795 7.658 0.202 1.00 0.00 O ATOM 0 H GLY A 68 161.573 4.590 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.578 5.483 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 68 163.705 6.586 -2.290 1.00 0.00 H new ATOM 947 N THR A 69 161.086 7.556 -1.260 1.00 0.00 N ATOM 948 CA THR A 69 160.299 8.575 -0.576 1.00 0.00 C ATOM 949 C THR A 69 159.624 8.002 0.666 1.00 0.00 C ATOM 950 O THR A 69 158.538 7.428 0.585 1.00 0.00 O ATOM 951 CB THR A 69 159.245 9.152 -1.523 1.00 0.00 C ATOM 952 OG1 THR A 69 159.760 9.271 -2.836 1.00 0.00 O ATOM 953 CG2 THR A 69 158.746 10.518 -1.101 1.00 0.00 C ATOM 0 H THR A 69 160.645 7.171 -2.095 1.00 0.00 H new ATOM 0 HA THR A 69 160.974 9.371 -0.263 1.00 0.00 H new ATOM 0 HB THR A 69 158.412 8.450 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 69 159.675 8.412 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.001 10.870 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.296 10.451 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 69 159.581 11.218 -1.074 1.00 0.00 H new ATOM 961 N ARG A 70 160.275 8.161 1.813 1.00 0.00 N ATOM 962 CA ARG A 70 159.738 7.659 3.073 1.00 0.00 C ATOM 963 C ARG A 70 158.513 8.463 3.499 1.00 0.00 C ATOM 964 O ARG A 70 158.554 9.692 3.554 1.00 0.00 O ATOM 965 CB ARG A 70 160.806 7.716 4.166 1.00 0.00 C ATOM 966 CG ARG A 70 160.332 7.181 5.508 1.00 0.00 C ATOM 967 CD ARG A 70 160.920 7.975 6.663 1.00 0.00 C ATOM 968 NE ARG A 70 162.233 7.472 7.062 1.00 0.00 N ATOM 969 CZ ARG A 70 163.084 8.150 7.828 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.766 9.356 8.281 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.258 7.619 8.143 1.00 0.00 N ATOM 0 H ARG A 70 161.175 8.633 1.897 1.00 0.00 H new ATOM 0 HA ARG A 70 159.437 6.622 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.676 7.144 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.132 8.749 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.244 7.222 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.616 6.133 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 70 161.005 9.023 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.241 7.932 7.515 1.00 0.00 H new ATOM 0 HE ARG A 70 162.513 6.548 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.864 9.769 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.423 9.870 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.508 6.692 7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.911 8.138 8.730 1.00 0.00 H new ATOM 985 N TYR A 71 157.426 7.760 3.799 1.00 0.00 N ATOM 986 CA TYR A 71 156.189 8.408 4.220 1.00 0.00 C ATOM 987 C TYR A 71 155.841 8.032 5.657 1.00 0.00 C ATOM 988 O TYR A 71 155.425 8.880 6.447 1.00 0.00 O ATOM 989 CB TYR A 71 155.042 8.019 3.287 1.00 0.00 C ATOM 990 CG TYR A 71 155.198 8.551 1.879 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.192 9.917 1.628 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.353 7.686 0.804 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.334 10.406 0.343 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.496 8.168 -0.485 1.00 0.00 C ATOM 995 CZ TYR A 71 155.486 9.528 -0.709 1.00 0.00 C ATOM 996 OH TYR A 71 155.628 10.012 -1.989 1.00 0.00 O ATOM 0 H TYR A 71 157.376 6.742 3.758 1.00 0.00 H new ATOM 0 HA TYR A 71 156.338 9.487 4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.968 6.932 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.105 8.388 3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.075 10.608 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.362 6.620 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.326 11.471 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.615 7.482 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 71 154.749 10.061 -2.420 1.00 0.00 H new ATOM 1006 N PHE A 72 156.013 6.757 5.987 1.00 0.00 N ATOM 1007 CA PHE A 72 155.716 6.268 7.329 1.00 0.00 C ATOM 1008 C PHE A 72 156.781 5.282 7.797 1.00 0.00 C ATOM 1009 O PHE A 72 157.740 5.001 7.079 1.00 0.00 O ATOM 1010 CB PHE A 72 154.339 5.603 7.358 1.00 0.00 C ATOM 1011 CG PHE A 72 154.122 4.623 6.241 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.771 5.062 4.974 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.270 3.261 6.457 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.570 4.163 3.944 1.00 0.00 C ATOM 1015 CE2 PHE A 72 154.071 2.357 5.431 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.720 2.809 4.173 1.00 0.00 C ATOM 0 H PHE A 72 156.356 6.043 5.344 1.00 0.00 H new ATOM 0 HA PHE A 72 155.714 7.121 8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 72 154.213 5.089 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.571 6.375 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.653 6.120 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.544 2.903 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.296 4.518 2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 72 154.190 1.299 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.563 2.104 3.370 1.00 0.00 H new ATOM 1026 N THR A 73 156.605 4.760 9.007 1.00 0.00 N ATOM 1027 CA THR A 73 157.551 3.805 9.573 1.00 0.00 C ATOM 1028 C THR A 73 156.871 2.469 9.856 1.00 0.00 C ATOM 1029 O THR A 73 156.113 2.338 10.817 1.00 0.00 O ATOM 1030 CB THR A 73 158.162 4.361 10.860 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.244 5.211 11.525 1.00 0.00 O ATOM 1032 CG2 THR A 73 159.432 5.152 10.626 1.00 0.00 C ATOM 0 H THR A 73 155.816 4.982 9.614 1.00 0.00 H new ATOM 0 HA THR A 73 158.344 3.642 8.843 1.00 0.00 H new ATOM 0 HB THR A 73 158.402 3.488 11.466 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.653 5.555 12.347 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.814 5.518 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 73 160.179 4.511 10.158 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.219 5.997 9.972 1.00 0.00 H new ATOM 1040 N CYS A 74 157.149 1.479 9.013 1.00 0.00 N ATOM 1041 CA CYS A 74 156.565 0.153 9.173 1.00 0.00 C ATOM 1042 C CYS A 74 157.648 -0.922 9.171 1.00 0.00 C ATOM 1043 O CYS A 74 158.817 -0.639 8.913 1.00 0.00 O ATOM 1044 CB CYS A 74 155.556 -0.121 8.056 1.00 0.00 C ATOM 1045 SG CYS A 74 153.872 0.415 8.436 1.00 0.00 S ATOM 0 H CYS A 74 157.775 1.571 8.213 1.00 0.00 H new ATOM 0 HA CYS A 74 156.050 0.123 10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.890 0.381 7.148 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.546 -1.190 7.844 1.00 0.00 H new ATOM 0 HG CYS A 74 153.529 1.375 7.629 1.00 0.00 H new ATOM 1051 N ALA A 75 157.249 -2.157 9.460 1.00 0.00 N ATOM 1052 CA ALA A 75 158.185 -3.274 9.491 1.00 0.00 C ATOM 1053 C ALA A 75 158.860 -3.461 8.137 1.00 0.00 C ATOM 1054 O ALA A 75 158.563 -2.747 7.180 1.00 0.00 O ATOM 1055 CB ALA A 75 157.469 -4.549 9.908 1.00 0.00 C ATOM 0 H ALA A 75 156.284 -2.409 9.676 1.00 0.00 H new ATOM 0 HA ALA A 75 158.959 -3.049 10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 75 158.179 -5.376 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 75 157.039 -4.417 10.901 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.674 -4.770 9.195 1.00 0.00 H new ATOM 1061 N LEU A 76 159.770 -4.427 8.064 1.00 0.00 N ATOM 1062 CA LEU A 76 160.488 -4.709 6.827 1.00 0.00 C ATOM 1063 C LEU A 76 159.705 -5.684 5.953 1.00 0.00 C ATOM 1064 O LEU A 76 159.141 -6.660 6.447 1.00 0.00 O ATOM 1065 CB LEU A 76 161.873 -5.281 7.135 1.00 0.00 C ATOM 1066 CG LEU A 76 162.966 -4.238 7.375 1.00 0.00 C ATOM 1067 CD1 LEU A 76 164.095 -4.830 8.205 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.495 -3.708 6.051 1.00 0.00 C ATOM 0 H LEU A 76 160.027 -5.028 8.847 1.00 0.00 H new ATOM 0 HA LEU A 76 160.603 -3.772 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.799 -5.917 8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 162.178 -5.920 6.306 1.00 0.00 H new ATOM 0 HG LEU A 76 162.533 -3.406 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.863 -4.074 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.704 -5.161 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.527 -5.680 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 76 164.272 -2.967 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.912 -4.531 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.681 -3.246 5.493 1.00 0.00 H new ATOM 1080 N LYS A 77 159.676 -5.413 4.652 1.00 0.00 N ATOM 1081 CA LYS A 77 158.962 -6.266 3.709 1.00 0.00 C ATOM 1082 C LYS A 77 157.473 -6.313 4.036 1.00 0.00 C ATOM 1083 O LYS A 77 156.840 -7.365 3.949 1.00 0.00 O ATOM 1084 CB LYS A 77 159.546 -7.681 3.727 1.00 0.00 C ATOM 1085 CG LYS A 77 161.022 -7.735 3.366 1.00 0.00 C ATOM 1086 CD LYS A 77 161.222 -7.948 1.874 1.00 0.00 C ATOM 1087 CE LYS A 77 162.466 -7.232 1.372 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.176 -8.018 0.325 1.00 0.00 N ATOM 0 H LYS A 77 160.139 -4.609 4.227 1.00 0.00 H new ATOM 0 HA LYS A 77 159.082 -5.843 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.407 -8.110 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.987 -8.305 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.507 -6.807 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.504 -8.542 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.305 -9.015 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.348 -7.585 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.186 -6.259 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.141 -7.048 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.632 -7.369 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.899 -8.618 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.494 -8.617 -0.182 1.00 0.00 H new ATOM 1102 N LYS A 78 156.919 -5.165 4.412 1.00 0.00 N ATOM 1103 CA LYS A 78 155.503 -5.075 4.751 1.00 0.00 C ATOM 1104 C LYS A 78 154.937 -3.711 4.366 1.00 0.00 C ATOM 1105 O LYS A 78 154.084 -3.163 5.064 1.00 0.00 O ATOM 1106 CB LYS A 78 155.299 -5.322 6.246 1.00 0.00 C ATOM 1107 CG LYS A 78 155.835 -6.663 6.719 1.00 0.00 C ATOM 1108 CD LYS A 78 155.588 -6.870 8.205 1.00 0.00 C ATOM 1109 CE LYS A 78 154.371 -7.748 8.450 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.592 -7.299 9.636 1.00 0.00 N ATOM 0 H LYS A 78 157.428 -4.285 4.490 1.00 0.00 H new ATOM 0 HA LYS A 78 154.970 -5.841 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.788 -4.526 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 78 154.235 -5.265 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.359 -7.465 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.904 -6.721 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.466 -7.328 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.445 -5.904 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.730 -7.734 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.691 -8.780 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.790 -7.943 9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 154.205 -7.304 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.236 -6.336 9.473 1.00 0.00 H new ATOM 1124 N ALA A 79 155.417 -3.170 3.252 1.00 0.00 N ATOM 1125 CA ALA A 79 154.959 -1.871 2.774 1.00 0.00 C ATOM 1126 C ALA A 79 154.768 -1.878 1.261 1.00 0.00 C ATOM 1127 O ALA A 79 155.729 -1.743 0.504 1.00 0.00 O ATOM 1128 CB ALA A 79 155.942 -0.784 3.179 1.00 0.00 C ATOM 0 H ALA A 79 156.123 -3.611 2.663 1.00 0.00 H new ATOM 0 HA ALA A 79 153.993 -1.662 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.588 0.181 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 79 156.025 -0.755 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.919 -0.998 2.747 1.00 0.00 H new ATOM 1134 N LEU A 80 153.522 -2.038 0.829 1.00 0.00 N ATOM 1135 CA LEU A 80 153.204 -2.063 -0.595 1.00 0.00 C ATOM 1136 C LEU A 80 152.375 -0.846 -0.989 1.00 0.00 C ATOM 1137 O LEU A 80 151.319 -0.587 -0.410 1.00 0.00 O ATOM 1138 CB LEU A 80 152.448 -3.345 -0.947 1.00 0.00 C ATOM 1139 CG LEU A 80 152.015 -3.461 -2.409 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.127 -4.072 -3.247 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.742 -4.287 -2.524 1.00 0.00 C ATOM 0 H LEU A 80 152.716 -2.152 1.443 1.00 0.00 H new ATOM 0 HA LEU A 80 154.141 -2.037 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.079 -4.199 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.562 -3.411 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 80 151.810 -2.460 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.801 -4.147 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.014 -3.441 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.364 -5.066 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.448 -4.359 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 80 150.920 -5.287 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.945 -3.808 -1.956 1.00 0.00 H new ATOM 1153 N PHE A 81 152.859 -0.100 -1.976 1.00 0.00 N ATOM 1154 CA PHE A 81 152.162 1.091 -2.449 1.00 0.00 C ATOM 1155 C PHE A 81 151.323 0.776 -3.683 1.00 0.00 C ATOM 1156 O PHE A 81 151.796 0.136 -4.621 1.00 0.00 O ATOM 1157 CB PHE A 81 153.164 2.201 -2.768 1.00 0.00 C ATOM 1158 CG PHE A 81 153.781 2.823 -1.548 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.882 2.242 -0.940 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.260 3.988 -1.009 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.453 2.812 0.182 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.826 4.563 0.113 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.924 3.973 0.710 1.00 0.00 C ATOM 0 H PHE A 81 153.732 -0.299 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 81 151.496 1.431 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.955 1.795 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.662 2.977 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.299 1.333 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.401 4.452 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.312 2.350 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.411 5.472 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.367 4.419 1.588 1.00 0.00 H new ATOM 1173 N VAL A 82 150.074 1.230 -3.674 1.00 0.00 N ATOM 1174 CA VAL A 82 149.168 0.997 -4.793 1.00 0.00 C ATOM 1175 C VAL A 82 148.207 2.167 -4.975 1.00 0.00 C ATOM 1176 O VAL A 82 148.090 3.029 -4.105 1.00 0.00 O ATOM 1177 CB VAL A 82 148.354 -0.295 -4.597 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.264 -1.512 -4.631 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.570 -0.241 -3.294 1.00 0.00 C ATOM 0 H VAL A 82 149.666 1.761 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 82 149.787 0.896 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 82 147.643 -0.381 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.670 -2.415 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.773 -1.559 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.003 -1.436 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.001 -1.163 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.261 -0.129 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 82 146.886 0.607 -3.316 1.00 0.00 H new ATOM 1189 N LYS A 83 147.522 2.190 -6.114 1.00 0.00 N ATOM 1190 CA LYS A 83 146.571 3.255 -6.413 1.00 0.00 C ATOM 1191 C LYS A 83 145.380 3.204 -5.464 1.00 0.00 C ATOM 1192 O LYS A 83 144.707 2.180 -5.348 1.00 0.00 O ATOM 1193 CB LYS A 83 146.091 3.145 -7.860 1.00 0.00 C ATOM 1194 CG LYS A 83 147.213 3.230 -8.882 1.00 0.00 C ATOM 1195 CD LYS A 83 146.736 2.827 -10.268 1.00 0.00 C ATOM 1196 CE LYS A 83 147.304 3.741 -11.341 1.00 0.00 C ATOM 1197 NZ LYS A 83 147.522 3.022 -12.627 1.00 0.00 N ATOM 0 H LYS A 83 147.608 1.484 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 83 147.078 4.210 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.565 2.199 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.371 3.939 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.603 4.247 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.035 2.582 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.033 1.798 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.647 2.857 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.623 4.576 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.248 4.162 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 147.910 3.681 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.192 2.240 -12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 146.617 2.642 -12.970 1.00 0.00 H new ATOM 1211 N LEU A 84 145.125 4.318 -4.788 1.00 0.00 N ATOM 1212 CA LEU A 84 144.015 4.410 -3.849 1.00 0.00 C ATOM 1213 C LEU A 84 142.685 4.149 -4.549 1.00 0.00 C ATOM 1214 O LEU A 84 141.743 3.636 -3.944 1.00 0.00 O ATOM 1215 CB LEU A 84 143.997 5.791 -3.189 1.00 0.00 C ATOM 1216 CG LEU A 84 142.811 6.051 -2.258 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.917 5.194 -1.006 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.737 7.526 -1.891 1.00 0.00 C ATOM 0 H LEU A 84 145.675 5.173 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 84 144.154 3.648 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.919 5.917 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 84 143.998 6.550 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 84 141.895 5.780 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.065 5.393 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.922 4.140 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.840 5.434 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.888 7.694 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.656 7.822 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.614 8.120 -2.796 1.00 0.00 H new ATOM 1230 N LYS A 85 142.616 4.505 -5.827 1.00 0.00 N ATOM 1231 CA LYS A 85 141.401 4.310 -6.611 1.00 0.00 C ATOM 1232 C LYS A 85 141.072 2.826 -6.754 1.00 0.00 C ATOM 1233 O LYS A 85 139.912 2.453 -6.932 1.00 0.00 O ATOM 1234 CB LYS A 85 141.555 4.944 -7.994 1.00 0.00 C ATOM 1235 CG LYS A 85 142.656 4.315 -8.833 1.00 0.00 C ATOM 1236 CD LYS A 85 143.327 5.341 -9.732 1.00 0.00 C ATOM 1237 CE LYS A 85 142.637 5.432 -11.083 1.00 0.00 C ATOM 1238 NZ LYS A 85 141.191 5.755 -10.950 1.00 0.00 N ATOM 0 H LYS A 85 143.387 4.930 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 85 140.579 4.795 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.609 4.861 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.762 6.008 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.400 3.862 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.238 3.514 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 85 143.311 6.317 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.374 5.073 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 85 143.125 6.196 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 85 142.750 4.486 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 140.836 6.136 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 140.663 4.892 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 141.061 6.463 -10.199 1.00 0.00 H new ATOM 1252 N SER A 86 142.098 1.984 -6.674 1.00 0.00 N ATOM 1253 CA SER A 86 141.913 0.542 -6.794 1.00 0.00 C ATOM 1254 C SER A 86 141.835 -0.115 -5.420 1.00 0.00 C ATOM 1255 O SER A 86 142.239 -1.265 -5.247 1.00 0.00 O ATOM 1256 CB SER A 86 143.057 -0.073 -7.602 1.00 0.00 C ATOM 1257 OG SER A 86 143.348 0.704 -8.751 1.00 0.00 O ATOM 0 H SER A 86 143.064 2.275 -6.527 1.00 0.00 H new ATOM 0 HA SER A 86 140.972 0.364 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 86 143.947 -0.150 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.790 -1.086 -7.903 1.00 0.00 H new ATOM 0 HG SER A 86 144.084 0.290 -9.248 1.00 0.00 H new ATOM 1263 N CYS A 87 141.311 0.621 -4.445 1.00 0.00 N ATOM 1264 CA CYS A 87 141.180 0.107 -3.086 1.00 0.00 C ATOM 1265 C CYS A 87 139.712 0.006 -2.683 1.00 0.00 C ATOM 1266 O CYS A 87 138.868 0.749 -3.182 1.00 0.00 O ATOM 1267 CB CYS A 87 141.929 1.008 -2.104 1.00 0.00 C ATOM 1268 SG CYS A 87 143.720 1.039 -2.349 1.00 0.00 S ATOM 0 H CYS A 87 140.970 1.574 -4.570 1.00 0.00 H new ATOM 0 HA CYS A 87 141.616 -0.892 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.543 2.024 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.718 0.675 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 87 143.988 1.493 -3.537 1.00 0.00 H new ATOM 1274 N ARG A 88 139.416 -0.921 -1.777 1.00 0.00 N ATOM 1275 CA ARG A 88 138.050 -1.121 -1.307 1.00 0.00 C ATOM 1276 C ARG A 88 138.005 -1.203 0.219 1.00 0.00 C ATOM 1277 O ARG A 88 138.924 -1.729 0.846 1.00 0.00 O ATOM 1278 CB ARG A 88 137.458 -2.394 -1.918 1.00 0.00 C ATOM 1279 CG ARG A 88 136.431 -2.125 -3.009 1.00 0.00 C ATOM 1280 CD ARG A 88 135.076 -2.726 -2.667 1.00 0.00 C ATOM 1281 NE ARG A 88 134.097 -1.701 -2.312 1.00 0.00 N ATOM 1282 CZ ARG A 88 133.646 -0.781 -3.162 1.00 0.00 C ATOM 1283 NH1 ARG A 88 134.084 -0.752 -4.414 1.00 0.00 N ATOM 1284 NH2 ARG A 88 132.754 0.114 -2.758 1.00 0.00 N ATOM 0 H ARG A 88 140.103 -1.545 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 88 137.454 -0.265 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.266 -2.998 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 88 136.991 -2.983 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.326 -1.050 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 88 136.785 -2.540 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 88 134.708 -3.299 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.188 -3.424 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 88 133.738 -1.690 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 88 134.770 -1.437 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 88 133.734 -0.045 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 88 132.414 0.097 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 88 132.408 0.819 -3.409 1.00 0.00 H new ATOM 1298 N PRO A 89 136.930 -0.683 0.838 1.00 0.00 N ATOM 1299 CA PRO A 89 136.774 -0.703 2.296 1.00 0.00 C ATOM 1300 C PRO A 89 136.931 -2.105 2.875 1.00 0.00 C ATOM 1301 O PRO A 89 136.144 -3.003 2.574 1.00 0.00 O ATOM 1302 CB PRO A 89 135.347 -0.195 2.512 1.00 0.00 C ATOM 1303 CG PRO A 89 135.044 0.615 1.300 1.00 0.00 C ATOM 1304 CD PRO A 89 135.786 -0.038 0.168 1.00 0.00 C ATOM 0 HA PRO A 89 137.534 -0.100 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.645 -1.022 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.274 0.406 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 89 133.972 0.636 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.364 1.649 1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.164 -0.765 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.113 0.692 -0.572 1.00 0.00 H new ATOM 1312 N ASP A 90 137.951 -2.286 3.707 1.00 0.00 N ATOM 1313 CA ASP A 90 138.210 -3.579 4.329 1.00 0.00 C ATOM 1314 C ASP A 90 137.750 -3.586 5.783 1.00 0.00 C ATOM 1315 O ASP A 90 138.340 -2.918 6.633 1.00 0.00 O ATOM 1316 CB ASP A 90 139.699 -3.915 4.251 1.00 0.00 C ATOM 1317 CG ASP A 90 139.952 -5.409 4.179 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.643 -6.013 3.131 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.458 -5.974 5.171 1.00 0.00 O ATOM 0 H ASP A 90 138.612 -1.553 3.966 1.00 0.00 H new ATOM 0 HA ASP A 90 137.645 -4.336 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.132 -3.433 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.207 -3.505 5.124 1.00 0.00 H new ATOM 1324 N SER A 91 136.697 -4.345 6.063 1.00 0.00 N ATOM 1325 CA SER A 91 136.163 -4.439 7.417 1.00 0.00 C ATOM 1326 C SER A 91 136.405 -5.826 8.004 1.00 0.00 C ATOM 1327 O SER A 91 135.654 -6.286 8.864 1.00 0.00 O ATOM 1328 CB SER A 91 134.664 -4.130 7.419 1.00 0.00 C ATOM 1329 OG SER A 91 134.264 -3.549 8.648 1.00 0.00 O ATOM 0 H SER A 91 136.196 -4.904 5.372 1.00 0.00 H new ATOM 0 HA SER A 91 136.681 -3.706 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.428 -3.452 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 91 134.100 -5.047 7.246 1.00 0.00 H new ATOM 0 HG SER A 91 133.303 -3.360 8.623 1.00 0.00 H new ATOM 1335 N ARG A 92 137.459 -6.487 7.536 1.00 0.00 N ATOM 1336 CA ARG A 92 137.799 -7.821 8.017 1.00 0.00 C ATOM 1337 C ARG A 92 138.193 -7.782 9.490 1.00 0.00 C ATOM 1338 O ARG A 92 137.991 -8.751 10.223 1.00 0.00 O ATOM 1339 CB ARG A 92 138.940 -8.410 7.187 1.00 0.00 C ATOM 1340 CG ARG A 92 138.468 -9.193 5.972 1.00 0.00 C ATOM 1341 CD ARG A 92 138.300 -8.294 4.757 1.00 0.00 C ATOM 1342 NE ARG A 92 136.945 -8.354 4.214 1.00 0.00 N ATOM 1343 CZ ARG A 92 136.620 -7.964 2.984 1.00 0.00 C ATOM 1344 NH1 ARG A 92 137.549 -7.484 2.165 1.00 0.00 N ATOM 1345 NH2 ARG A 92 135.364 -8.053 2.569 1.00 0.00 N ATOM 0 H ARG A 92 138.092 -6.121 6.825 1.00 0.00 H new ATOM 0 HA ARG A 92 136.918 -8.455 7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.593 -7.602 6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.539 -9.065 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 92 139.186 -9.982 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 92 137.520 -9.680 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 92 138.535 -7.266 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.013 -8.589 3.987 1.00 0.00 H new ATOM 0 HE ARG A 92 136.204 -8.717 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.517 -7.413 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 92 137.294 -7.187 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 92 134.646 -8.421 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 92 135.116 -7.754 1.626 1.00 0.00 H new ATOM 1359 N PHE A 93 138.757 -6.657 9.917 1.00 0.00 N ATOM 1360 CA PHE A 93 139.180 -6.492 11.304 1.00 0.00 C ATOM 1361 C PHE A 93 138.401 -5.369 11.982 1.00 0.00 C ATOM 1362 O PHE A 93 138.910 -4.705 12.885 1.00 0.00 O ATOM 1363 CB PHE A 93 140.679 -6.198 11.369 1.00 0.00 C ATOM 1364 CG PHE A 93 141.523 -7.226 10.669 1.00 0.00 C ATOM 1365 CD1 PHE A 93 141.487 -7.347 9.290 1.00 0.00 C ATOM 1366 CD2 PHE A 93 142.351 -8.069 11.393 1.00 0.00 C ATOM 1367 CE1 PHE A 93 142.262 -8.291 8.643 1.00 0.00 C ATOM 1368 CE2 PHE A 93 143.128 -9.015 10.752 1.00 0.00 C ATOM 1369 CZ PHE A 93 143.084 -9.127 9.375 1.00 0.00 C ATOM 0 H PHE A 93 138.932 -5.846 9.323 1.00 0.00 H new ATOM 0 HA PHE A 93 138.975 -7.423 11.833 1.00 0.00 H new ATOM 0 HB2 PHE A 93 140.869 -5.221 10.926 1.00 0.00 H new ATOM 0 HB3 PHE A 93 140.985 -6.139 12.414 1.00 0.00 H new ATOM 0 HD1 PHE A 93 140.846 -6.696 8.714 1.00 0.00 H new ATOM 0 HD2 PHE A 93 142.389 -7.986 12.469 1.00 0.00 H new ATOM 0 HE1 PHE A 93 142.225 -8.375 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 93 143.769 -9.667 11.327 1.00 0.00 H new ATOM 0 HZ PHE A 93 143.690 -9.866 8.872 1.00 0.00 H new ATOM 1379 N ALA A 94 137.162 -5.162 11.543 1.00 0.00 N ATOM 1380 CA ALA A 94 136.315 -4.119 12.109 1.00 0.00 C ATOM 1381 C ALA A 94 136.137 -4.315 13.612 1.00 0.00 C ATOM 1382 O ALA A 94 135.661 -5.358 14.061 1.00 0.00 O ATOM 1383 CB ALA A 94 134.964 -4.101 11.410 1.00 0.00 C ATOM 0 H ALA A 94 136.724 -5.703 10.798 1.00 0.00 H new ATOM 0 HA ALA A 94 136.804 -3.158 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 94 134.341 -3.318 11.842 1.00 0.00 H new ATOM 0 HB2 ALA A 94 135.107 -3.906 10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 94 134.475 -5.066 11.539 1.00 0.00 H new ATOM 1389 N SER A 95 136.521 -3.304 14.385 1.00 0.00 N ATOM 1390 CA SER A 95 136.403 -3.364 15.837 1.00 0.00 C ATOM 1391 C SER A 95 134.940 -3.417 16.263 1.00 0.00 C ATOM 1392 O SER A 95 134.056 -2.942 15.549 1.00 0.00 O ATOM 1393 CB SER A 95 137.088 -2.155 16.476 1.00 0.00 C ATOM 1394 OG SER A 95 138.479 -2.154 16.204 1.00 0.00 O ATOM 0 H SER A 95 136.917 -2.434 14.030 1.00 0.00 H new ATOM 0 HA SER A 95 136.895 -4.275 16.178 1.00 0.00 H new ATOM 0 HB2 SER A 95 136.640 -1.237 16.097 1.00 0.00 H new ATOM 0 HB3 SER A 95 136.925 -2.168 17.554 1.00 0.00 H new ATOM 0 HG SER A 95 138.893 -1.370 16.622 1.00 0.00 H new ATOM 1400 N LEU A 96 134.689 -3.999 17.432 1.00 0.00 N ATOM 1401 CA LEU A 96 133.333 -4.114 17.954 1.00 0.00 C ATOM 1402 C LEU A 96 132.453 -4.926 17.010 1.00 0.00 C ATOM 1403 O LEU A 96 131.929 -4.402 16.027 1.00 0.00 O ATOM 1404 CB LEU A 96 132.727 -2.726 18.167 1.00 0.00 C ATOM 1405 CG LEU A 96 131.527 -2.680 19.115 1.00 0.00 C ATOM 1406 CD1 LEU A 96 131.490 -1.359 19.866 1.00 0.00 C ATOM 1407 CD2 LEU A 96 130.232 -2.895 18.344 1.00 0.00 C ATOM 0 H LEU A 96 135.408 -4.398 18.035 1.00 0.00 H new ATOM 0 HA LEU A 96 133.382 -4.633 18.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 133.502 -2.064 18.554 1.00 0.00 H new ATOM 0 HB3 LEU A 96 132.421 -2.328 17.200 1.00 0.00 H new ATOM 0 HG LEU A 96 131.631 -3.484 19.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 130.630 -1.345 20.535 1.00 0.00 H new ATOM 0 HD12 LEU A 96 132.405 -1.246 20.448 1.00 0.00 H new ATOM 0 HD13 LEU A 96 131.409 -0.538 19.154 1.00 0.00 H new ATOM 0 HD21 LEU A 96 129.388 -2.859 19.033 1.00 0.00 H new ATOM 0 HD22 LEU A 96 130.121 -2.112 17.594 1.00 0.00 H new ATOM 0 HD23 LEU A 96 130.258 -3.868 17.853 1.00 0.00 H new ATOM 1419 N GLN A 97 132.295 -6.211 17.314 1.00 0.00 N ATOM 1420 CA GLN A 97 131.478 -7.096 16.492 1.00 0.00 C ATOM 1421 C GLN A 97 130.853 -8.204 17.339 1.00 0.00 C ATOM 1422 O GLN A 97 131.005 -9.388 17.040 1.00 0.00 O ATOM 1423 CB GLN A 97 132.321 -7.708 15.371 1.00 0.00 C ATOM 1424 CG GLN A 97 131.511 -8.109 14.149 1.00 0.00 C ATOM 1425 CD GLN A 97 132.049 -9.356 13.476 1.00 0.00 C ATOM 1426 OE1 GLN A 97 132.386 -10.337 14.138 1.00 0.00 O ATOM 1427 NE2 GLN A 97 132.134 -9.323 12.151 1.00 0.00 N ATOM 0 H GLN A 97 132.722 -6.662 18.123 1.00 0.00 H new ATOM 0 HA GLN A 97 130.676 -6.504 16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 97 133.086 -6.992 15.070 1.00 0.00 H new ATOM 0 HB3 GLN A 97 132.840 -8.586 15.756 1.00 0.00 H new ATOM 0 HG2 GLN A 97 130.475 -8.278 14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 97 131.509 -7.287 13.433 1.00 0.00 H new ATOM 0 HE21 GLN A 97 131.843 -8.488 11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 97 132.490 -10.132 11.642 1.00 0.00 H new ATOM 1436 N PRO A 98 130.137 -7.830 18.413 1.00 0.00 N ATOM 1437 CA PRO A 98 129.487 -8.797 19.305 1.00 0.00 C ATOM 1438 C PRO A 98 128.279 -9.461 18.655 1.00 0.00 C ATOM 1439 O PRO A 98 128.061 -9.336 17.449 1.00 0.00 O ATOM 1440 CB PRO A 98 129.050 -7.941 20.495 1.00 0.00 C ATOM 1441 CG PRO A 98 128.876 -6.573 19.933 1.00 0.00 C ATOM 1442 CD PRO A 98 129.904 -6.437 18.843 1.00 0.00 C ATOM 0 HA PRO A 98 130.153 -9.617 19.574 1.00 0.00 H new ATOM 0 HB2 PRO A 98 128.122 -8.312 20.930 1.00 0.00 H new ATOM 0 HB3 PRO A 98 129.799 -7.952 21.287 1.00 0.00 H new ATOM 0 HG2 PRO A 98 127.869 -6.439 19.538 1.00 0.00 H new ATOM 0 HG3 PRO A 98 129.020 -5.814 20.702 1.00 0.00 H new ATOM 0 HD2 PRO A 98 129.539 -5.819 18.022 1.00 0.00 H new ATOM 0 HD3 PRO A 98 130.819 -5.972 19.210 1.00 0.00 H new ATOM 1450 N SER A 99 127.494 -10.169 19.462 1.00 0.00 N ATOM 1451 CA SER A 99 126.306 -10.854 18.966 1.00 0.00 C ATOM 1452 C SER A 99 125.385 -11.247 20.115 1.00 0.00 C ATOM 1453 O SER A 99 125.840 -11.743 21.146 1.00 0.00 O ATOM 1454 CB SER A 99 126.704 -12.096 18.168 1.00 0.00 C ATOM 1455 OG SER A 99 127.637 -11.774 17.150 1.00 0.00 O ATOM 0 H SER A 99 127.660 -10.283 20.462 1.00 0.00 H new ATOM 0 HA SER A 99 125.768 -10.168 18.312 1.00 0.00 H new ATOM 0 HB2 SER A 99 127.135 -12.839 18.838 1.00 0.00 H new ATOM 0 HB3 SER A 99 125.816 -12.545 17.723 1.00 0.00 H new ATOM 0 HG SER A 99 127.531 -10.834 16.894 1.00 0.00 H new ATOM 1461 N GLY A 100 124.088 -11.024 19.932 1.00 0.00 N ATOM 1462 CA GLY A 100 123.124 -11.361 20.963 1.00 0.00 C ATOM 1463 C GLY A 100 121.706 -11.447 20.429 1.00 0.00 C ATOM 1464 O GLY A 100 120.983 -10.451 20.420 1.00 0.00 O ATOM 0 H GLY A 100 123.687 -10.616 19.088 1.00 0.00 H new ATOM 0 HA2 GLY A 100 123.397 -12.315 21.413 1.00 0.00 H new ATOM 0 HA3 GLY A 100 123.166 -10.612 21.754 1.00 0.00 H new ATOM 1468 N PRO A 101 121.277 -12.635 19.970 1.00 0.00 N ATOM 1469 CA PRO A 101 119.927 -12.833 19.431 1.00 0.00 C ATOM 1470 C PRO A 101 118.856 -12.759 20.514 1.00 0.00 C ATOM 1471 O PRO A 101 117.797 -12.164 20.313 1.00 0.00 O ATOM 1472 CB PRO A 101 119.986 -14.239 18.833 1.00 0.00 C ATOM 1473 CG PRO A 101 121.058 -14.933 19.599 1.00 0.00 C ATOM 1474 CD PRO A 101 122.072 -13.877 19.941 1.00 0.00 C ATOM 0 HA PRO A 101 119.658 -12.061 18.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 119.030 -14.753 18.936 1.00 0.00 H new ATOM 0 HB3 PRO A 101 120.218 -14.207 17.768 1.00 0.00 H new ATOM 0 HG2 PRO A 101 120.657 -15.395 20.501 1.00 0.00 H new ATOM 0 HG3 PRO A 101 121.508 -15.729 19.006 1.00 0.00 H new ATOM 0 HD2 PRO A 101 122.547 -14.072 20.902 1.00 0.00 H new ATOM 0 HD3 PRO A 101 122.867 -13.828 19.197 1.00 0.00 H new ATOM 1482 N SER A 102 119.138 -13.367 21.661 1.00 0.00 N ATOM 1483 CA SER A 102 118.198 -13.369 22.776 1.00 0.00 C ATOM 1484 C SER A 102 116.891 -14.051 22.386 1.00 0.00 C ATOM 1485 O SER A 102 116.548 -14.126 21.206 1.00 0.00 O ATOM 1486 CB SER A 102 117.922 -11.938 23.242 1.00 0.00 C ATOM 1487 OG SER A 102 118.809 -11.557 24.277 1.00 0.00 O ATOM 0 H SER A 102 120.010 -13.865 21.843 1.00 0.00 H new ATOM 0 HA SER A 102 118.648 -13.929 23.596 1.00 0.00 H new ATOM 0 HB2 SER A 102 118.025 -11.253 22.401 1.00 0.00 H new ATOM 0 HB3 SER A 102 116.893 -11.859 23.594 1.00 0.00 H new ATOM 0 HG SER A 102 118.612 -10.638 24.555 1.00 0.00 H new ATOM 1493 N SER A 103 116.168 -14.548 23.383 1.00 0.00 N ATOM 1494 CA SER A 103 114.898 -15.225 23.144 1.00 0.00 C ATOM 1495 C SER A 103 113.728 -14.368 23.617 1.00 0.00 C ATOM 1496 O SER A 103 113.660 -13.981 24.784 1.00 0.00 O ATOM 1497 CB SER A 103 114.875 -16.578 23.856 1.00 0.00 C ATOM 1498 OG SER A 103 115.624 -16.535 25.059 1.00 0.00 O ATOM 0 H SER A 103 116.439 -14.495 24.365 1.00 0.00 H new ATOM 0 HA SER A 103 114.797 -15.386 22.071 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.845 -16.859 24.075 1.00 0.00 H new ATOM 0 HB3 SER A 103 115.282 -17.346 23.198 1.00 0.00 H new ATOM 0 HG SER A 103 115.592 -17.412 25.496 1.00 0.00 H new ATOM 1504 N GLY A 104 112.809 -14.076 22.702 1.00 0.00 N ATOM 1505 CA GLY A 104 111.653 -13.267 23.046 1.00 0.00 C ATOM 1506 C GLY A 104 112.037 -11.875 23.512 1.00 0.00 C ATOM 1507 O GLY A 104 111.578 -11.468 24.600 1.00 0.00 O ATOM 1508 OXT GLY A 104 112.796 -11.196 22.791 1.00 0.00 O ATOM 0 H GLY A 104 112.844 -14.384 21.730 1.00 0.00 H new ATOM 0 HA2 GLY A 104 110.997 -13.189 22.179 1.00 0.00 H new ATOM 0 HA3 GLY A 104 111.085 -13.766 23.831 1.00 0.00 H new TER 1512 GLY A 104