USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot -140:sc= 0.297 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.269 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -6.82! C(o=-9.1!,f=-8.2!) USER MOD Set 2.2: A 98 ASN : amide:sc= -2.28! K(o=-9.1!,f=-6.5) USER MOD Set 3.1: A 81 ASN : amide:sc= -15.6! C(o=-49!,f=-26!) USER MOD Set 3.2: A 83 ASN : amide:sc= -22.2! C(o=-49!,f=-22!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.8! K(o=-49!,f=-23) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12.4! C(o=-15!,f=-21!) USER MOD Set 4.2: A 57 TYR OH : rot -115:sc= -2.23! USER MOD Set 5.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 43 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.022) USER MOD Set 6.1: A 9 ASN : amide:sc= -17! C(o=-27!,f=-30!) USER MOD Set 6.2: A 11 TYR OH : rot 42:sc= -9.72! USER MOD Set 7.1: A 6 CYS SG : rot -41:sc= -24.8! USER MOD Set 7.2: A 103 CYS SG : rot -172:sc= -35.6! USER MOD Set 8.1: A 2 CYS SG : rot 180:sc= 0.665 USER MOD Set 8.2: A 10 CYS SG : rot 102:sc= -7.48! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -75:sc= -0.946! USER MOD Single : A 8 SER OG : rot 72:sc= 0.927 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -20.6! C(o=-21!,f=-27!) USER MOD Single : A 24 TYR OH : rot -83:sc= -3.54! USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0.321 (180deg=-0.0463) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.85! C(o=-5.8!,f=-7.1!) USER MOD Single : A 37 SER OG : rot 62:sc= 1.15 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -5.65! C(o=-5.6!,f=-7.9!) USER MOD Single : A 42 TYR OH : rot 46:sc= -3.97! USER MOD Single : A 44 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 25:sc= 0.728 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -49:sc= -11.1! USER MOD Single : A 69 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -13.3! C(o=-13!,f=-7!) USER MOD Single : A 96 SER OG : rot -46:sc= 0.488 USER MOD Single : A 99 ASN : amide:sc= -8.59! C(o=-8.6!,f=-11!) USER MOD Single : A 104 THR OG1 : rot -1:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.127 -15.615 -7.526 1.00 0.00 N ATOM 2 CA ALA A 1 -7.000 -16.012 -6.135 1.00 0.00 C ATOM 3 C ALA A 1 -6.019 -15.072 -5.429 1.00 0.00 C ATOM 4 O ALA A 1 -6.389 -14.383 -4.478 1.00 0.00 O ATOM 5 CB ALA A 1 -6.561 -17.475 -6.058 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.793 -16.251 -8.009 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.482 -14.639 -7.577 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.197 -15.670 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.960 -15.933 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.466 -17.772 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.304 -18.104 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.599 -17.593 -6.558 1.00 0.00 H new ATOM 11 N CYS A 2 -4.789 -15.075 -5.920 1.00 0.00 N ATOM 12 CA CYS A 2 -3.753 -14.231 -5.349 1.00 0.00 C ATOM 13 C CYS A 2 -3.554 -13.025 -6.268 1.00 0.00 C ATOM 14 O CYS A 2 -2.472 -12.833 -6.822 1.00 0.00 O ATOM 15 CB CYS A 2 -2.450 -15.004 -5.132 1.00 0.00 C ATOM 16 SG CYS A 2 -2.555 -16.798 -5.477 1.00 0.00 S ATOM 0 H CYS A 2 -4.486 -15.649 -6.707 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.064 -13.887 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.677 -14.571 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.129 -14.865 -4.100 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.398 -17.350 -5.263 1.00 0.00 H new ATOM 21 N ASP A 3 -4.615 -12.243 -6.404 1.00 0.00 N ATOM 22 CA ASP A 3 -4.571 -11.061 -7.247 1.00 0.00 C ATOM 23 C ASP A 3 -3.236 -10.343 -7.041 1.00 0.00 C ATOM 24 O ASP A 3 -2.741 -9.672 -7.947 1.00 0.00 O ATOM 25 CB ASP A 3 -5.693 -10.085 -6.887 1.00 0.00 C ATOM 26 CG ASP A 3 -7.106 -10.667 -6.964 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.486 -11.363 -5.997 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.774 -10.404 -7.986 1.00 0.00 O ATOM 0 H ASP A 3 -5.511 -12.405 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.690 -11.381 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.523 -9.716 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.634 -9.225 -7.554 1.00 0.00 H new ATOM 33 N TYR A 4 -2.691 -10.506 -5.845 1.00 0.00 N ATOM 34 CA TYR A 4 -1.422 -9.883 -5.509 1.00 0.00 C ATOM 35 C TYR A 4 -0.560 -10.817 -4.658 1.00 0.00 C ATOM 36 O TYR A 4 -0.910 -11.127 -3.521 1.00 0.00 O ATOM 37 CB TYR A 4 -1.769 -8.639 -4.688 1.00 0.00 C ATOM 38 CG TYR A 4 -2.718 -7.671 -5.395 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.230 -6.794 -6.343 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.064 -7.673 -5.086 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.123 -5.882 -7.008 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.957 -6.762 -5.753 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.444 -5.911 -6.681 1.00 0.00 C ATOM 44 OH TYR A 4 -5.287 -5.050 -7.310 1.00 0.00 O ATOM 0 H TYR A 4 -3.105 -11.061 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.860 -9.646 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.221 -8.952 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.848 -8.112 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.178 -6.792 -6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.447 -8.358 -4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.753 -5.190 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.012 -6.755 -5.521 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.199 -5.184 -6.977 1.00 0.00 H new ATOM 54 N THR A 5 0.552 -11.239 -5.242 1.00 0.00 N ATOM 55 CA THR A 5 1.468 -12.132 -4.552 1.00 0.00 C ATOM 56 C THR A 5 2.862 -11.508 -4.473 1.00 0.00 C ATOM 57 O THR A 5 3.573 -11.439 -5.474 1.00 0.00 O ATOM 58 CB THR A 5 1.445 -13.482 -5.272 1.00 0.00 C ATOM 59 OG1 THR A 5 0.200 -14.059 -4.889 1.00 0.00 O ATOM 60 CG2 THR A 5 2.492 -14.454 -4.725 1.00 0.00 C ATOM 0 H THR A 5 0.840 -10.979 -6.185 1.00 0.00 H new ATOM 0 HA THR A 5 1.160 -12.294 -3.519 1.00 0.00 H new ATOM 0 HB THR A 5 1.614 -13.328 -6.338 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.257 -14.376 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.434 -15.396 -5.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.486 -14.025 -4.848 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.303 -14.635 -3.667 1.00 0.00 H new ATOM 68 N CYS A 6 3.213 -11.069 -3.273 1.00 0.00 N ATOM 69 CA CYS A 6 4.510 -10.454 -3.051 1.00 0.00 C ATOM 70 C CYS A 6 5.551 -11.567 -2.899 1.00 0.00 C ATOM 71 O CYS A 6 6.099 -11.765 -1.817 1.00 0.00 O ATOM 72 CB CYS A 6 4.493 -9.521 -1.838 1.00 0.00 C ATOM 73 SG CYS A 6 3.749 -7.877 -2.145 1.00 0.00 S ATOM 0 H CYS A 6 2.621 -11.127 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 6 4.769 -9.829 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.945 -10.007 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.516 -9.382 -1.490 1.00 0.00 H new ATOM 0 HG CYS A 6 4.128 -7.440 -3.309 1.00 0.00 H new ATOM 78 N GLY A 7 5.790 -12.262 -4.002 1.00 0.00 N ATOM 79 CA GLY A 7 6.753 -13.350 -4.006 1.00 0.00 C ATOM 80 C GLY A 7 6.103 -14.661 -3.562 1.00 0.00 C ATOM 81 O GLY A 7 6.262 -15.690 -4.216 1.00 0.00 O ATOM 0 H GLY A 7 5.334 -12.093 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.170 -13.467 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.583 -13.108 -3.341 1.00 0.00 H new ATOM 85 N SER A 8 5.384 -14.582 -2.452 1.00 0.00 N ATOM 86 CA SER A 8 4.708 -15.749 -1.912 1.00 0.00 C ATOM 87 C SER A 8 3.560 -15.315 -0.999 1.00 0.00 C ATOM 88 O SER A 8 3.444 -15.792 0.128 1.00 0.00 O ATOM 89 CB SER A 8 5.685 -16.645 -1.147 1.00 0.00 C ATOM 90 OG SER A 8 5.708 -16.342 0.245 1.00 0.00 O ATOM 0 H SER A 8 5.255 -13.727 -1.911 1.00 0.00 H new ATOM 0 HA SER A 8 4.303 -16.325 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.405 -17.689 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.686 -16.526 -1.561 1.00 0.00 H new ATOM 0 HG SER A 8 4.876 -16.650 0.661 1.00 0.00 H new ATOM 96 N ASN A 9 2.740 -14.415 -1.522 1.00 0.00 N ATOM 97 CA ASN A 9 1.604 -13.911 -0.768 1.00 0.00 C ATOM 98 C ASN A 9 0.320 -14.163 -1.560 1.00 0.00 C ATOM 99 O ASN A 9 0.323 -14.918 -2.530 1.00 0.00 O ATOM 100 CB ASN A 9 1.726 -12.405 -0.531 1.00 0.00 C ATOM 101 CG ASN A 9 3.095 -12.050 0.053 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.218 -11.570 1.168 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.115 -12.312 -0.761 1.00 0.00 N ATOM 0 H ASN A 9 2.839 -14.022 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 9 1.580 -14.426 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.578 -11.872 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.940 -12.076 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.070 -12.111 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.942 -12.714 -1.682 1.00 0.00 H new ATOM 110 N CYS A 10 -0.748 -13.513 -1.118 1.00 0.00 N ATOM 111 CA CYS A 10 -2.036 -13.657 -1.773 1.00 0.00 C ATOM 112 C CYS A 10 -3.002 -12.640 -1.162 1.00 0.00 C ATOM 113 O CYS A 10 -3.836 -12.993 -0.330 1.00 0.00 O ATOM 114 CB CYS A 10 -2.569 -15.087 -1.664 1.00 0.00 C ATOM 115 SG CYS A 10 -4.096 -15.412 -2.620 1.00 0.00 S ATOM 0 H CYS A 10 -0.746 -12.885 -0.314 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.929 -13.459 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.793 -15.775 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.760 -15.310 -0.614 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.795 -16.040 -3.718 1.00 0.00 H new ATOM 120 N TYR A 11 -2.856 -11.398 -1.598 1.00 0.00 N ATOM 121 CA TYR A 11 -3.705 -10.327 -1.104 1.00 0.00 C ATOM 122 C TYR A 11 -4.931 -10.141 -2.001 1.00 0.00 C ATOM 123 O TYR A 11 -5.203 -9.036 -2.466 1.00 0.00 O ATOM 124 CB TYR A 11 -2.855 -9.056 -1.155 1.00 0.00 C ATOM 125 CG TYR A 11 -1.410 -9.256 -0.693 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.130 -9.407 0.651 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.387 -9.286 -1.618 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.230 -9.594 1.087 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.973 -9.473 -1.182 1.00 0.00 C ATOM 130 CZ TYR A 11 1.214 -9.619 0.148 1.00 0.00 C ATOM 131 OH TYR A 11 2.498 -9.797 0.560 1.00 0.00 O ATOM 0 H TYR A 11 -2.163 -11.109 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.060 -10.553 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.850 -8.675 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.323 -8.293 -0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.931 -9.385 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.606 -9.169 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.463 -9.712 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.783 -9.497 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 11 2.525 -10.483 1.259 1.00 0.00 H new ATOM 141 N SER A 12 -5.639 -11.241 -2.217 1.00 0.00 N ATOM 142 CA SER A 12 -6.830 -11.213 -3.048 1.00 0.00 C ATOM 143 C SER A 12 -7.481 -9.830 -2.985 1.00 0.00 C ATOM 144 O SER A 12 -7.341 -9.120 -1.991 1.00 0.00 O ATOM 145 CB SER A 12 -7.827 -12.290 -2.618 1.00 0.00 C ATOM 146 OG SER A 12 -8.699 -11.830 -1.590 1.00 0.00 O ATOM 0 H SER A 12 -5.410 -12.157 -1.831 1.00 0.00 H new ATOM 0 HA SER A 12 -6.534 -11.421 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.416 -12.603 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.284 -13.167 -2.267 1.00 0.00 H new ATOM 0 HG SER A 12 -9.321 -12.546 -1.344 1.00 0.00 H new ATOM 152 N SER A 13 -8.179 -9.490 -4.059 1.00 0.00 N ATOM 153 CA SER A 13 -8.853 -8.205 -4.137 1.00 0.00 C ATOM 154 C SER A 13 -9.468 -7.853 -2.782 1.00 0.00 C ATOM 155 O SER A 13 -9.695 -6.681 -2.484 1.00 0.00 O ATOM 156 CB SER A 13 -9.930 -8.214 -5.222 1.00 0.00 C ATOM 157 OG SER A 13 -10.802 -9.334 -5.100 1.00 0.00 O ATOM 0 H SER A 13 -8.292 -10.082 -4.882 1.00 0.00 H new ATOM 0 HA SER A 13 -8.115 -7.447 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.511 -7.294 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.456 -8.229 -6.203 1.00 0.00 H new ATOM 0 HG SER A 13 -11.477 -9.302 -5.810 1.00 0.00 H new ATOM 163 N SER A 14 -9.719 -8.889 -1.995 1.00 0.00 N ATOM 164 CA SER A 14 -10.303 -8.704 -0.676 1.00 0.00 C ATOM 165 C SER A 14 -9.215 -8.322 0.329 1.00 0.00 C ATOM 166 O SER A 14 -9.496 -7.681 1.341 1.00 0.00 O ATOM 167 CB SER A 14 -11.034 -9.965 -0.216 1.00 0.00 C ATOM 168 OG SER A 14 -11.708 -9.769 1.024 1.00 0.00 O ATOM 0 H SER A 14 -9.529 -9.859 -2.245 1.00 0.00 H new ATOM 0 HA SER A 14 -11.033 -7.896 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.755 -10.264 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.319 -10.782 -0.115 1.00 0.00 H new ATOM 0 HG SER A 14 -12.164 -10.597 1.283 1.00 0.00 H new ATOM 174 N ASP A 15 -7.994 -8.734 0.017 1.00 0.00 N ATOM 175 CA ASP A 15 -6.863 -8.445 0.881 1.00 0.00 C ATOM 176 C ASP A 15 -6.344 -7.037 0.580 1.00 0.00 C ATOM 177 O ASP A 15 -5.678 -6.425 1.415 1.00 0.00 O ATOM 178 CB ASP A 15 -5.719 -9.431 0.639 1.00 0.00 C ATOM 179 CG ASP A 15 -5.653 -10.599 1.625 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.546 -11.470 1.535 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.712 -10.595 2.448 1.00 0.00 O ATOM 0 H ASP A 15 -7.764 -9.266 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.199 -8.528 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.812 -9.832 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.775 -8.887 0.680 1.00 0.00 H new ATOM 186 N VAL A 16 -6.668 -6.564 -0.614 1.00 0.00 N ATOM 187 CA VAL A 16 -6.244 -5.240 -1.035 1.00 0.00 C ATOM 188 C VAL A 16 -7.085 -4.185 -0.312 1.00 0.00 C ATOM 189 O VAL A 16 -6.585 -3.483 0.565 1.00 0.00 O ATOM 190 CB VAL A 16 -6.322 -5.125 -2.559 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.254 -3.662 -3.002 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.224 -5.953 -3.229 1.00 0.00 C ATOM 0 H VAL A 16 -7.220 -7.074 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.203 -5.068 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.284 -5.527 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.311 -3.608 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.088 -3.111 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.314 -3.223 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.303 -5.853 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.248 -5.596 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.338 -7.001 -2.952 1.00 0.00 H new ATOM 202 N SER A 17 -8.346 -4.107 -0.709 1.00 0.00 N ATOM 203 CA SER A 17 -9.260 -3.150 -0.109 1.00 0.00 C ATOM 204 C SER A 17 -9.046 -3.099 1.405 1.00 0.00 C ATOM 205 O SER A 17 -8.838 -2.026 1.970 1.00 0.00 O ATOM 206 CB SER A 17 -10.715 -3.504 -0.427 1.00 0.00 C ATOM 207 OG SER A 17 -11.613 -2.466 -0.046 1.00 0.00 O ATOM 0 H SER A 17 -8.756 -4.690 -1.438 1.00 0.00 H new ATOM 0 HA SER A 17 -9.052 -2.167 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.816 -3.697 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.985 -4.425 0.090 1.00 0.00 H new ATOM 0 HG SER A 17 -12.531 -2.730 -0.267 1.00 0.00 H new ATOM 213 N THR A 18 -9.105 -4.272 2.019 1.00 0.00 N ATOM 214 CA THR A 18 -8.920 -4.373 3.457 1.00 0.00 C ATOM 215 C THR A 18 -7.672 -3.601 3.889 1.00 0.00 C ATOM 216 O THR A 18 -7.722 -2.815 4.834 1.00 0.00 O ATOM 217 CB THR A 18 -8.873 -5.858 3.823 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.234 -6.198 4.069 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.177 -6.109 5.163 1.00 0.00 C ATOM 0 H THR A 18 -9.278 -5.160 1.547 1.00 0.00 H new ATOM 0 HA THR A 18 -9.749 -3.916 3.997 1.00 0.00 H new ATOM 0 HB THR A 18 -8.357 -6.409 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.296 -7.145 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.171 -7.178 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.152 -5.743 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.712 -5.585 5.955 1.00 0.00 H new ATOM 227 N ALA A 19 -6.583 -3.851 3.178 1.00 0.00 N ATOM 228 CA ALA A 19 -5.326 -3.188 3.477 1.00 0.00 C ATOM 229 C ALA A 19 -5.508 -1.675 3.349 1.00 0.00 C ATOM 230 O ALA A 19 -5.049 -0.915 4.202 1.00 0.00 O ATOM 231 CB ALA A 19 -4.233 -3.724 2.549 1.00 0.00 C ATOM 0 H ALA A 19 -6.545 -4.504 2.395 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.017 -3.397 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.289 -3.227 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.122 -4.798 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.508 -3.530 1.512 1.00 0.00 H new ATOM 237 N GLN A 20 -6.179 -1.280 2.277 1.00 0.00 N ATOM 238 CA GLN A 20 -6.428 0.129 2.026 1.00 0.00 C ATOM 239 C GLN A 20 -7.293 0.722 3.139 1.00 0.00 C ATOM 240 O GLN A 20 -6.889 1.674 3.805 1.00 0.00 O ATOM 241 CB GLN A 20 -7.078 0.336 0.657 1.00 0.00 C ATOM 242 CG GLN A 20 -6.452 -0.584 -0.393 1.00 0.00 C ATOM 243 CD GLN A 20 -7.358 -0.715 -1.619 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.680 -1.801 -2.072 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.750 0.449 -2.128 1.00 0.00 N ATOM 0 H GLN A 20 -6.558 -1.912 1.572 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.471 0.651 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.148 0.140 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.963 1.375 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.481 -0.190 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.276 -1.569 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.443 1.322 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.357 0.469 -2.947 1.00 0.00 H new ATOM 254 N ALA A 21 -8.469 0.133 3.308 1.00 0.00 N ATOM 255 CA ALA A 21 -9.395 0.591 4.330 1.00 0.00 C ATOM 256 C ALA A 21 -8.605 1.073 5.549 1.00 0.00 C ATOM 257 O ALA A 21 -9.001 2.031 6.211 1.00 0.00 O ATOM 258 CB ALA A 21 -10.372 -0.535 4.675 1.00 0.00 C ATOM 0 H ALA A 21 -8.801 -0.657 2.754 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.984 1.433 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.067 -0.192 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.929 -0.820 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.818 -1.396 5.047 1.00 0.00 H new ATOM 264 N ALA A 22 -7.503 0.385 5.809 1.00 0.00 N ATOM 265 CA ALA A 22 -6.655 0.730 6.937 1.00 0.00 C ATOM 266 C ALA A 22 -5.915 2.035 6.633 1.00 0.00 C ATOM 267 O ALA A 22 -6.007 2.996 7.396 1.00 0.00 O ATOM 268 CB ALA A 22 -5.697 -0.428 7.230 1.00 0.00 C ATOM 0 H ALA A 22 -7.178 -0.409 5.258 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.255 0.891 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.061 -0.169 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.271 -1.324 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.076 -0.617 6.354 1.00 0.00 H new ATOM 274 N GLY A 23 -5.200 2.027 5.519 1.00 0.00 N ATOM 275 CA GLY A 23 -4.446 3.198 5.105 1.00 0.00 C ATOM 276 C GLY A 23 -5.363 4.411 4.941 1.00 0.00 C ATOM 277 O GLY A 23 -5.031 5.509 5.385 1.00 0.00 O ATOM 0 H GLY A 23 -5.126 1.228 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.675 3.418 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.937 2.993 4.163 1.00 0.00 H new ATOM 281 N TYR A 24 -6.500 4.172 4.303 1.00 0.00 N ATOM 282 CA TYR A 24 -7.467 5.232 4.075 1.00 0.00 C ATOM 283 C TYR A 24 -8.048 5.737 5.397 1.00 0.00 C ATOM 284 O TYR A 24 -7.866 6.899 5.755 1.00 0.00 O ATOM 285 CB TYR A 24 -8.589 4.606 3.245 1.00 0.00 C ATOM 286 CG TYR A 24 -9.290 5.588 2.305 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.679 5.971 1.127 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.532 6.091 2.633 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.338 6.896 0.242 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.191 7.017 1.748 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.561 7.373 0.596 1.00 0.00 C ATOM 292 OH TYR A 24 -11.185 8.247 -0.240 1.00 0.00 O ATOM 0 H TYR A 24 -6.773 3.260 3.937 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.998 6.079 3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.177 3.786 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.328 4.174 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.707 5.577 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.010 5.790 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.871 7.204 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.163 7.419 1.993 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.851 9.153 -0.075 1.00 0.00 H new ATOM 302 N LYS A 25 -8.737 4.839 6.086 1.00 0.00 N ATOM 303 CA LYS A 25 -9.345 5.179 7.361 1.00 0.00 C ATOM 304 C LYS A 25 -8.409 6.108 8.136 1.00 0.00 C ATOM 305 O LYS A 25 -8.751 7.260 8.403 1.00 0.00 O ATOM 306 CB LYS A 25 -9.727 3.912 8.128 1.00 0.00 C ATOM 307 CG LYS A 25 -10.426 4.256 9.444 1.00 0.00 C ATOM 308 CD LYS A 25 -11.818 4.841 9.189 1.00 0.00 C ATOM 309 CE LYS A 25 -12.625 4.924 10.485 1.00 0.00 C ATOM 310 NZ LYS A 25 -11.975 5.848 11.442 1.00 0.00 N ATOM 0 H LYS A 25 -8.888 3.876 5.785 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.277 5.722 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.383 3.295 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.833 3.322 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.511 3.361 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.824 4.972 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.724 5.835 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.349 4.223 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.637 5.267 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.713 3.933 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.703 6.352 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.370 5.306 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.395 6.536 10.921 1.00 0.00 H new ATOM 324 N LEU A 26 -7.245 5.574 8.477 1.00 0.00 N ATOM 325 CA LEU A 26 -6.257 6.341 9.216 1.00 0.00 C ATOM 326 C LEU A 26 -5.927 7.620 8.442 1.00 0.00 C ATOM 327 O LEU A 26 -5.708 8.672 9.040 1.00 0.00 O ATOM 328 CB LEU A 26 -5.033 5.478 9.530 1.00 0.00 C ATOM 329 CG LEU A 26 -3.879 6.185 10.244 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.004 6.039 11.763 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.528 5.686 9.730 1.00 0.00 C ATOM 0 H LEU A 26 -6.964 4.619 8.255 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.658 6.647 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.354 4.637 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.656 5.063 8.595 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.936 7.249 10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.172 6.550 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.944 6.480 12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.985 4.982 12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.725 6.205 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.444 4.614 9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.450 5.883 8.661 1.00 0.00 H new ATOM 343 N HIS A 27 -5.900 7.485 7.125 1.00 0.00 N ATOM 344 CA HIS A 27 -5.601 8.616 6.263 1.00 0.00 C ATOM 345 C HIS A 27 -6.691 9.679 6.413 1.00 0.00 C ATOM 346 O HIS A 27 -6.392 10.853 6.629 1.00 0.00 O ATOM 347 CB HIS A 27 -5.413 8.161 4.814 1.00 0.00 C ATOM 348 CG HIS A 27 -5.223 9.292 3.834 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.170 10.188 3.917 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.960 9.666 2.749 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.281 11.056 2.922 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.391 10.732 2.200 1.00 0.00 N ATOM 0 H HIS A 27 -6.080 6.610 6.633 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.657 9.068 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.548 7.499 4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.281 7.575 4.513 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.434 10.181 4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.856 9.177 2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.609 11.877 2.719 1.00 0.00 H new ATOM 361 N GLU A 28 -7.931 9.230 6.294 1.00 0.00 N ATOM 362 CA GLU A 28 -9.067 10.128 6.413 1.00 0.00 C ATOM 363 C GLU A 28 -9.048 10.829 7.772 1.00 0.00 C ATOM 364 O GLU A 28 -9.557 11.941 7.908 1.00 0.00 O ATOM 365 CB GLU A 28 -10.384 9.379 6.201 1.00 0.00 C ATOM 366 CG GLU A 28 -10.130 7.956 5.698 1.00 0.00 C ATOM 367 CD GLU A 28 -11.431 7.301 5.227 1.00 0.00 C ATOM 368 OE1 GLU A 28 -11.963 7.772 4.199 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.861 6.343 5.905 1.00 0.00 O ATOM 0 H GLU A 28 -8.175 8.256 6.116 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.989 10.886 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.941 9.344 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.002 9.918 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.412 7.979 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.685 7.359 6.494 1.00 0.00 H new ATOM 376 N ASP A 29 -8.456 10.151 8.744 1.00 0.00 N ATOM 377 CA ASP A 29 -8.365 10.695 10.088 1.00 0.00 C ATOM 378 C ASP A 29 -7.097 11.544 10.206 1.00 0.00 C ATOM 379 O ASP A 29 -6.951 12.320 11.148 1.00 0.00 O ATOM 380 CB ASP A 29 -8.282 9.577 11.131 1.00 0.00 C ATOM 381 CG ASP A 29 -9.611 8.884 11.441 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.064 8.109 10.572 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.144 9.146 12.541 1.00 0.00 O ATOM 0 H ASP A 29 -8.034 9.230 8.627 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.258 11.294 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.571 8.828 10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.881 9.992 12.056 1.00 0.00 H new ATOM 388 N GLY A 30 -6.214 11.367 9.234 1.00 0.00 N ATOM 389 CA GLY A 30 -4.963 12.107 9.216 1.00 0.00 C ATOM 390 C GLY A 30 -4.005 11.592 10.293 1.00 0.00 C ATOM 391 O GLY A 30 -3.123 12.322 10.743 1.00 0.00 O ATOM 0 H GLY A 30 -6.340 10.722 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.496 12.015 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.161 13.167 9.377 1.00 0.00 H new ATOM 395 N GLU A 31 -4.212 10.340 10.673 1.00 0.00 N ATOM 396 CA GLU A 31 -3.378 9.720 11.688 1.00 0.00 C ATOM 397 C GLU A 31 -2.347 8.795 11.037 1.00 0.00 C ATOM 398 O GLU A 31 -2.348 8.620 9.819 1.00 0.00 O ATOM 399 CB GLU A 31 -4.229 8.959 12.708 1.00 0.00 C ATOM 400 CG GLU A 31 -4.941 9.926 13.657 1.00 0.00 C ATOM 401 CD GLU A 31 -3.970 10.486 14.699 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.762 10.531 14.383 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.459 10.856 15.789 1.00 0.00 O ATOM 0 H GLU A 31 -4.945 9.738 10.296 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.846 10.507 12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.965 8.346 12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.597 8.281 13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.379 10.745 13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.761 9.412 14.158 1.00 0.00 H new ATOM 410 N THR A 32 -1.493 8.229 11.876 1.00 0.00 N ATOM 411 CA THR A 32 -0.459 7.327 11.397 1.00 0.00 C ATOM 412 C THR A 32 -0.481 6.021 12.193 1.00 0.00 C ATOM 413 O THR A 32 -1.259 5.876 13.135 1.00 0.00 O ATOM 414 CB THR A 32 0.881 8.062 11.471 1.00 0.00 C ATOM 415 OG1 THR A 32 1.045 8.344 12.859 1.00 0.00 O ATOM 416 CG2 THR A 32 0.828 9.443 10.814 1.00 0.00 C ATOM 0 H THR A 32 -1.495 8.377 12.885 1.00 0.00 H new ATOM 0 HA THR A 32 -0.632 7.041 10.359 1.00 0.00 H new ATOM 0 HB THR A 32 1.653 7.461 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.891 8.819 12.999 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.804 9.922 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.562 9.336 9.762 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.080 10.057 11.317 1.00 0.00 H new ATOM 424 N VAL A 33 0.381 5.101 11.784 1.00 0.00 N ATOM 425 CA VAL A 33 0.471 3.812 12.447 1.00 0.00 C ATOM 426 C VAL A 33 1.936 3.513 12.775 1.00 0.00 C ATOM 427 O VAL A 33 2.804 3.620 11.910 1.00 0.00 O ATOM 428 CB VAL A 33 -0.181 2.732 11.581 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.489 3.236 10.968 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.782 2.246 10.496 1.00 0.00 C ATOM 0 H VAL A 33 1.023 5.223 11.001 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.076 3.828 13.390 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.418 1.884 12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.932 2.449 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.182 3.511 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.287 4.108 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.295 1.479 9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.064 3.083 9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.675 1.829 10.962 1.00 0.00 H new ATOM 440 N GLY A 34 2.165 3.144 14.026 1.00 0.00 N ATOM 441 CA GLY A 34 3.509 2.829 14.479 1.00 0.00 C ATOM 442 C GLY A 34 4.316 4.104 14.730 1.00 0.00 C ATOM 443 O GLY A 34 3.753 5.142 15.073 1.00 0.00 O ATOM 0 H GLY A 34 1.442 3.056 14.741 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.459 2.240 15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.014 2.216 13.732 1.00 0.00 H new ATOM 447 N SER A 35 5.623 3.983 14.550 1.00 0.00 N ATOM 448 CA SER A 35 6.514 5.114 14.752 1.00 0.00 C ATOM 449 C SER A 35 6.772 5.822 13.420 1.00 0.00 C ATOM 450 O SER A 35 7.339 6.913 13.393 1.00 0.00 O ATOM 451 CB SER A 35 7.836 4.668 15.380 1.00 0.00 C ATOM 452 OG SER A 35 7.860 4.890 16.788 1.00 0.00 O ATOM 0 H SER A 35 6.087 3.120 14.267 1.00 0.00 H new ATOM 0 HA SER A 35 6.032 5.810 15.439 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.995 3.609 15.177 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.660 5.209 14.914 1.00 0.00 H new ATOM 0 HG SER A 35 8.719 4.591 17.152 1.00 0.00 H new ATOM 458 N ASN A 36 6.341 5.173 12.349 1.00 0.00 N ATOM 459 CA ASN A 36 6.518 5.727 11.017 1.00 0.00 C ATOM 460 C ASN A 36 5.423 6.763 10.752 1.00 0.00 C ATOM 461 O ASN A 36 4.760 7.222 11.680 1.00 0.00 O ATOM 462 CB ASN A 36 6.409 4.638 9.948 1.00 0.00 C ATOM 463 CG ASN A 36 7.785 4.284 9.383 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.815 4.728 9.864 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.746 3.463 8.338 1.00 0.00 N ATOM 0 H ASN A 36 5.870 4.269 12.376 1.00 0.00 H new ATOM 0 HA ASN A 36 7.508 6.180 10.968 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.948 3.748 10.376 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.758 4.978 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.613 3.168 7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.849 3.128 7.986 1.00 0.00 H new ATOM 472 N SER A 37 5.268 7.099 9.480 1.00 0.00 N ATOM 473 CA SER A 37 4.265 8.072 9.080 1.00 0.00 C ATOM 474 C SER A 37 3.367 7.481 7.991 1.00 0.00 C ATOM 475 O SER A 37 3.092 8.133 6.986 1.00 0.00 O ATOM 476 CB SER A 37 4.917 9.364 8.585 1.00 0.00 C ATOM 477 OG SER A 37 5.175 9.330 7.184 1.00 0.00 O ATOM 0 H SER A 37 5.820 6.715 8.713 1.00 0.00 H new ATOM 0 HA SER A 37 3.658 8.314 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.267 10.209 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.852 9.527 9.122 1.00 0.00 H new ATOM 0 HG SER A 37 4.329 9.241 6.698 1.00 0.00 H new ATOM 483 N TYR A 38 2.934 6.251 8.229 1.00 0.00 N ATOM 484 CA TYR A 38 2.072 5.564 7.281 1.00 0.00 C ATOM 485 C TYR A 38 0.607 5.648 7.712 1.00 0.00 C ATOM 486 O TYR A 38 0.303 5.609 8.904 1.00 0.00 O ATOM 487 CB TYR A 38 2.513 4.099 7.297 1.00 0.00 C ATOM 488 CG TYR A 38 3.886 3.855 6.667 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.935 4.708 6.947 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.075 2.783 5.819 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.227 4.478 6.355 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.367 2.555 5.225 1.00 0.00 C ATOM 493 CZ TYR A 38 6.380 3.413 5.523 1.00 0.00 C ATOM 494 OH TYR A 38 7.601 3.196 4.963 1.00 0.00 O ATOM 0 H TYR A 38 3.164 5.713 9.064 1.00 0.00 H new ATOM 0 HA TYR A 38 2.152 6.015 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.530 3.747 8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.771 3.501 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.786 5.548 7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.255 2.115 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.056 5.137 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.528 1.721 4.558 1.00 0.00 H new ATOM 0 HH TYR A 38 7.563 2.400 4.393 1.00 0.00 H new ATOM 504 N PRO A 39 -0.285 5.764 6.693 1.00 0.00 N ATOM 505 CA PRO A 39 0.159 5.803 5.310 1.00 0.00 C ATOM 506 C PRO A 39 0.776 7.161 4.971 1.00 0.00 C ATOM 507 O PRO A 39 0.995 7.987 5.856 1.00 0.00 O ATOM 508 CB PRO A 39 -1.083 5.494 4.490 1.00 0.00 C ATOM 509 CG PRO A 39 -2.265 5.751 5.409 1.00 0.00 C ATOM 510 CD PRO A 39 -1.736 5.863 6.830 1.00 0.00 C ATOM 0 HA PRO A 39 0.948 5.081 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.133 6.127 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.075 4.460 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.781 6.667 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.990 4.940 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.027 6.808 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.129 5.068 7.463 1.00 0.00 H new ATOM 518 N HIS A 40 1.039 7.351 3.686 1.00 0.00 N ATOM 519 CA HIS A 40 1.628 8.594 3.218 1.00 0.00 C ATOM 520 C HIS A 40 1.757 8.559 1.694 1.00 0.00 C ATOM 521 O HIS A 40 1.779 7.486 1.094 1.00 0.00 O ATOM 522 CB HIS A 40 2.961 8.863 3.921 1.00 0.00 C ATOM 523 CG HIS A 40 4.057 7.893 3.549 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.781 7.994 2.375 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.544 6.804 4.209 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.662 7.004 2.340 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.513 6.268 3.477 1.00 0.00 N ATOM 0 H HIS A 40 0.855 6.665 2.954 1.00 0.00 H new ATOM 0 HA HIS A 40 0.975 9.429 3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.289 9.875 3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.806 8.824 4.999 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.658 8.709 1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.200 6.439 5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.373 6.814 1.549 1.00 0.00 H new ATOM 536 N LYS A 41 1.839 9.747 1.112 1.00 0.00 N ATOM 537 CA LYS A 41 1.966 9.866 -0.331 1.00 0.00 C ATOM 538 C LYS A 41 3.027 8.882 -0.828 1.00 0.00 C ATOM 539 O LYS A 41 3.965 8.554 -0.102 1.00 0.00 O ATOM 540 CB LYS A 41 2.242 11.318 -0.727 1.00 0.00 C ATOM 541 CG LYS A 41 2.094 11.512 -2.237 1.00 0.00 C ATOM 542 CD LYS A 41 1.433 12.855 -2.556 1.00 0.00 C ATOM 543 CE LYS A 41 2.485 13.939 -2.799 1.00 0.00 C ATOM 544 NZ LYS A 41 2.377 14.464 -4.179 1.00 0.00 N ATOM 0 H LYS A 41 1.820 10.635 1.613 1.00 0.00 H new ATOM 0 HA LYS A 41 1.028 9.599 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.552 11.979 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.249 11.598 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.074 11.464 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.497 10.701 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.800 12.753 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.785 13.151 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.352 14.750 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.482 13.530 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.098 15.199 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.526 13.690 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.431 14.873 -4.322 1.00 0.00 H new ATOM 558 N TYR A 42 2.843 8.436 -2.063 1.00 0.00 N ATOM 559 CA TYR A 42 3.772 7.497 -2.665 1.00 0.00 C ATOM 560 C TYR A 42 3.970 7.799 -4.152 1.00 0.00 C ATOM 561 O TYR A 42 5.063 7.617 -4.686 1.00 0.00 O ATOM 562 CB TYR A 42 3.129 6.116 -2.519 1.00 0.00 C ATOM 563 CG TYR A 42 3.717 5.054 -3.450 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.469 5.113 -4.807 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.496 4.038 -2.934 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.022 4.112 -5.684 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.048 3.038 -3.811 1.00 0.00 C ATOM 568 CZ TYR A 42 4.785 3.125 -5.142 1.00 0.00 C ATOM 569 OH TYR A 42 5.307 2.181 -5.971 1.00 0.00 O ATOM 0 H TYR A 42 2.064 8.708 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 42 4.747 7.558 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.240 5.782 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.060 6.202 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.861 5.909 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.691 3.993 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.835 4.145 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.657 2.237 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 42 5.693 2.616 -6.760 1.00 0.00 H new ATOM 579 N ASN A 43 2.896 8.255 -4.779 1.00 0.00 N ATOM 580 CA ASN A 43 2.938 8.584 -6.194 1.00 0.00 C ATOM 581 C ASN A 43 3.420 7.364 -6.982 1.00 0.00 C ATOM 582 O ASN A 43 2.631 6.477 -7.304 1.00 0.00 O ATOM 583 CB ASN A 43 3.909 9.735 -6.463 1.00 0.00 C ATOM 584 CG ASN A 43 3.173 11.075 -6.502 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.486 11.962 -7.278 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.179 11.172 -5.624 1.00 0.00 N ATOM 0 H ASN A 43 1.991 8.405 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 43 1.935 8.879 -6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.674 9.759 -5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.421 9.570 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.626 12.028 -5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.969 10.391 -5.003 1.00 0.00 H new ATOM 593 N ASN A 44 4.714 7.359 -7.270 1.00 0.00 N ATOM 594 CA ASN A 44 5.310 6.262 -8.015 1.00 0.00 C ATOM 595 C ASN A 44 6.539 6.774 -8.769 1.00 0.00 C ATOM 596 O ASN A 44 6.857 7.961 -8.712 1.00 0.00 O ATOM 597 CB ASN A 44 4.328 5.695 -9.040 1.00 0.00 C ATOM 598 CG ASN A 44 4.187 6.632 -10.243 1.00 0.00 C ATOM 599 OD1 ASN A 44 3.408 7.571 -10.243 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.983 6.327 -11.263 1.00 0.00 N ATOM 0 H ASN A 44 5.366 8.096 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 44 5.581 5.480 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.672 4.716 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.354 5.548 -8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.965 6.893 -12.111 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.612 5.527 -11.197 1.00 0.00 H new ATOM 607 N TYR A 45 7.196 5.853 -9.459 1.00 0.00 N ATOM 608 CA TYR A 45 8.383 6.196 -10.224 1.00 0.00 C ATOM 609 C TYR A 45 9.047 4.942 -10.795 1.00 0.00 C ATOM 610 O TYR A 45 9.388 4.900 -11.976 1.00 0.00 O ATOM 611 CB TYR A 45 9.343 6.862 -9.235 1.00 0.00 C ATOM 612 CG TYR A 45 9.325 8.391 -9.285 1.00 0.00 C ATOM 613 CD1 TYR A 45 8.405 9.045 -10.080 1.00 0.00 C ATOM 614 CD2 TYR A 45 10.226 9.117 -8.534 1.00 0.00 C ATOM 615 CE1 TYR A 45 8.387 10.484 -10.127 1.00 0.00 C ATOM 616 CE2 TYR A 45 10.209 10.557 -8.580 1.00 0.00 C ATOM 617 CZ TYR A 45 9.290 11.168 -9.374 1.00 0.00 C ATOM 618 OH TYR A 45 9.273 12.528 -9.418 1.00 0.00 O ATOM 0 H TYR A 45 6.929 4.870 -9.504 1.00 0.00 H new ATOM 0 HA TYR A 45 8.127 6.846 -11.061 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.090 6.539 -8.225 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.356 6.514 -9.437 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.698 8.477 -10.667 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.945 8.606 -7.911 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.673 11.008 -10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.910 11.137 -7.998 1.00 0.00 H new ATOM 0 HH TYR A 45 9.972 12.883 -8.830 1.00 0.00 H new ATOM 628 N GLU A 46 9.212 3.951 -9.931 1.00 0.00 N ATOM 629 CA GLU A 46 9.830 2.701 -10.335 1.00 0.00 C ATOM 630 C GLU A 46 9.217 2.205 -11.646 1.00 0.00 C ATOM 631 O GLU A 46 9.795 1.356 -12.325 1.00 0.00 O ATOM 632 CB GLU A 46 9.700 1.645 -9.236 1.00 0.00 C ATOM 633 CG GLU A 46 10.372 2.112 -7.944 1.00 0.00 C ATOM 634 CD GLU A 46 11.115 0.961 -7.264 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.281 -0.082 -7.933 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.502 1.148 -6.090 1.00 0.00 O ATOM 0 H GLU A 46 8.928 3.989 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 46 10.893 2.880 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.646 1.439 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.153 0.711 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.070 2.920 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.621 2.516 -7.265 1.00 0.00 H new ATOM 643 N GLY A 47 8.055 2.756 -11.965 1.00 0.00 N ATOM 644 CA GLY A 47 7.357 2.381 -13.183 1.00 0.00 C ATOM 645 C GLY A 47 6.053 1.647 -12.864 1.00 0.00 C ATOM 646 O GLY A 47 5.820 0.544 -13.358 1.00 0.00 O ATOM 0 H GLY A 47 7.579 3.460 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.142 3.272 -13.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.998 1.743 -13.792 1.00 0.00 H new ATOM 650 N PHE A 48 5.237 2.287 -12.041 1.00 0.00 N ATOM 651 CA PHE A 48 3.962 1.709 -11.649 1.00 0.00 C ATOM 652 C PHE A 48 2.826 2.244 -12.524 1.00 0.00 C ATOM 653 O PHE A 48 2.727 3.449 -12.749 1.00 0.00 O ATOM 654 CB PHE A 48 3.709 2.122 -10.198 1.00 0.00 C ATOM 655 CG PHE A 48 4.662 1.472 -9.192 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.372 0.249 -8.671 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.800 2.117 -8.819 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.256 -0.353 -7.738 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.684 1.514 -7.884 1.00 0.00 C ATOM 660 CZ PHE A 48 6.393 0.292 -7.364 1.00 0.00 C ATOM 0 H PHE A 48 5.433 3.201 -11.634 1.00 0.00 H new ATOM 0 HA PHE A 48 3.995 0.625 -11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.797 3.206 -10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.684 1.865 -9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.469 -0.264 -8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.032 3.087 -9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.025 -1.324 -7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.587 2.026 -7.586 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.065 -0.166 -6.654 1.00 0.00 H new ATOM 670 N ASP A 49 1.999 1.321 -12.993 1.00 0.00 N ATOM 671 CA ASP A 49 0.874 1.685 -13.838 1.00 0.00 C ATOM 672 C ASP A 49 -0.375 1.856 -12.970 1.00 0.00 C ATOM 673 O ASP A 49 -1.360 1.140 -13.147 1.00 0.00 O ATOM 674 CB ASP A 49 0.586 0.594 -14.872 1.00 0.00 C ATOM 675 CG ASP A 49 1.806 -0.214 -15.314 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.676 0.388 -15.979 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.843 -1.418 -14.978 1.00 0.00 O ATOM 0 H ASP A 49 2.085 0.322 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 49 1.125 2.612 -14.353 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.155 -0.091 -14.459 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.137 1.057 -15.751 1.00 0.00 H new ATOM 682 N PHE A 50 -0.294 2.808 -12.054 1.00 0.00 N ATOM 683 CA PHE A 50 -1.405 3.082 -11.158 1.00 0.00 C ATOM 684 C PHE A 50 -2.602 3.645 -11.927 1.00 0.00 C ATOM 685 O PHE A 50 -2.658 4.841 -12.209 1.00 0.00 O ATOM 686 CB PHE A 50 -0.922 4.130 -10.153 1.00 0.00 C ATOM 687 CG PHE A 50 0.102 3.601 -9.147 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.489 2.299 -9.192 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.626 4.434 -8.208 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.440 1.807 -8.258 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.576 3.943 -7.275 1.00 0.00 C ATOM 692 CZ PHE A 50 1.964 2.640 -7.319 1.00 0.00 C ATOM 0 H PHE A 50 0.524 3.400 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.722 2.162 -10.666 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.483 4.966 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.782 4.521 -9.609 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.073 1.638 -9.938 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.319 5.469 -8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.747 0.772 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.991 4.605 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.687 2.267 -6.609 1.00 0.00 H new ATOM 702 N SER A 51 -3.532 2.754 -12.245 1.00 0.00 N ATOM 703 CA SER A 51 -4.724 3.148 -12.976 1.00 0.00 C ATOM 704 C SER A 51 -5.673 3.916 -12.055 1.00 0.00 C ATOM 705 O SER A 51 -6.883 3.939 -12.282 1.00 0.00 O ATOM 706 CB SER A 51 -5.432 1.929 -13.570 1.00 0.00 C ATOM 707 OG SER A 51 -5.911 1.044 -12.560 1.00 0.00 O ATOM 0 H SER A 51 -3.483 1.763 -12.010 1.00 0.00 H new ATOM 0 HA SER A 51 -4.423 3.797 -13.798 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.267 2.260 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.744 1.394 -14.225 1.00 0.00 H new ATOM 0 HG SER A 51 -6.358 0.280 -12.980 1.00 0.00 H new ATOM 713 N VAL A 52 -5.091 4.526 -11.033 1.00 0.00 N ATOM 714 CA VAL A 52 -5.870 5.293 -10.076 1.00 0.00 C ATOM 715 C VAL A 52 -5.442 6.761 -10.137 1.00 0.00 C ATOM 716 O VAL A 52 -4.365 7.077 -10.638 1.00 0.00 O ATOM 717 CB VAL A 52 -5.726 4.687 -8.678 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.182 3.226 -8.666 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.290 4.818 -8.169 1.00 0.00 C ATOM 0 H VAL A 52 -4.088 4.505 -10.847 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.930 5.252 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.372 5.246 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.070 2.818 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.228 3.169 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.573 2.649 -9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.215 4.380 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.615 4.296 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.015 5.872 -8.123 1.00 0.00 H new ATOM 729 N SER A 53 -6.310 7.619 -9.621 1.00 0.00 N ATOM 730 CA SER A 53 -6.037 9.046 -9.611 1.00 0.00 C ATOM 731 C SER A 53 -5.296 9.428 -8.328 1.00 0.00 C ATOM 732 O SER A 53 -5.651 8.972 -7.242 1.00 0.00 O ATOM 733 CB SER A 53 -7.328 9.856 -9.738 1.00 0.00 C ATOM 734 OG SER A 53 -7.712 10.039 -11.099 1.00 0.00 O ATOM 0 H SER A 53 -7.203 7.353 -9.207 1.00 0.00 H new ATOM 0 HA SER A 53 -5.408 9.279 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.129 9.348 -9.200 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.194 10.829 -9.265 1.00 0.00 H new ATOM 0 HG SER A 53 -8.542 10.559 -11.138 1.00 0.00 H new ATOM 740 N SER A 54 -4.278 10.259 -8.495 1.00 0.00 N ATOM 741 CA SER A 54 -3.483 10.707 -7.364 1.00 0.00 C ATOM 742 C SER A 54 -4.336 11.576 -6.437 1.00 0.00 C ATOM 743 O SER A 54 -5.456 11.947 -6.784 1.00 0.00 O ATOM 744 CB SER A 54 -2.249 11.481 -7.830 1.00 0.00 C ATOM 745 OG SER A 54 -2.487 12.886 -7.879 1.00 0.00 O ATOM 0 H SER A 54 -3.985 10.634 -9.397 1.00 0.00 H new ATOM 0 HA SER A 54 -3.142 9.829 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.417 11.277 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.952 11.129 -8.818 1.00 0.00 H new ATOM 0 HG SER A 54 -1.675 13.345 -8.179 1.00 0.00 H new ATOM 751 N PRO A 55 -3.759 11.883 -5.244 1.00 0.00 N ATOM 752 CA PRO A 55 -2.428 11.403 -4.912 1.00 0.00 C ATOM 753 C PRO A 55 -2.454 9.916 -4.554 1.00 0.00 C ATOM 754 O PRO A 55 -3.497 9.383 -4.177 1.00 0.00 O ATOM 755 CB PRO A 55 -1.969 12.282 -3.761 1.00 0.00 C ATOM 756 CG PRO A 55 -3.229 12.909 -3.187 1.00 0.00 C ATOM 757 CD PRO A 55 -4.354 12.692 -4.185 1.00 0.00 C ATOM 0 HA PRO A 55 -1.735 11.472 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.446 11.695 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.275 13.048 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.478 12.456 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.078 13.973 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.199 12.181 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.727 13.640 -4.573 1.00 0.00 H new ATOM 765 N TYR A 56 -1.296 9.287 -4.687 1.00 0.00 N ATOM 766 CA TYR A 56 -1.173 7.871 -4.384 1.00 0.00 C ATOM 767 C TYR A 56 -0.611 7.659 -2.976 1.00 0.00 C ATOM 768 O TYR A 56 0.486 8.121 -2.667 1.00 0.00 O ATOM 769 CB TYR A 56 -0.185 7.305 -5.405 1.00 0.00 C ATOM 770 CG TYR A 56 -0.691 7.345 -6.849 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.025 7.118 -7.119 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.187 7.609 -7.880 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.501 7.156 -8.478 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.289 7.647 -9.239 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.609 7.419 -9.470 1.00 0.00 C ATOM 776 OH TYR A 56 -2.058 7.454 -10.754 1.00 0.00 O ATOM 0 H TYR A 56 -0.434 9.732 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.146 7.383 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.748 7.865 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.045 6.273 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.712 6.912 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.231 7.787 -7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.542 6.980 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.387 7.852 -10.056 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.014 7.668 -10.760 1.00 0.00 H new ATOM 786 N TYR A 57 -1.389 6.961 -2.163 1.00 0.00 N ATOM 787 CA TYR A 57 -0.983 6.682 -0.795 1.00 0.00 C ATOM 788 C TYR A 57 -0.450 5.254 -0.662 1.00 0.00 C ATOM 789 O TYR A 57 -1.065 4.309 -1.153 1.00 0.00 O ATOM 790 CB TYR A 57 -2.246 6.823 0.057 1.00 0.00 C ATOM 791 CG TYR A 57 -2.944 8.177 -0.085 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.232 9.279 -0.514 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.286 8.297 0.215 1.00 0.00 C ATOM 794 CE1 TYR A 57 -2.890 10.553 -0.649 1.00 0.00 C ATOM 795 CE2 TYR A 57 -4.943 9.571 0.081 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.213 10.636 -0.345 1.00 0.00 C ATOM 797 OH TYR A 57 -4.834 11.840 -0.471 1.00 0.00 O ATOM 0 H TYR A 57 -2.298 6.580 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.190 7.362 -0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.947 6.034 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.985 6.668 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.182 9.186 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.843 7.435 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.345 11.423 -0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.992 9.678 0.314 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.119 12.155 0.412 1.00 0.00 H new ATOM 807 N GLU A 58 0.690 5.142 0.004 1.00 0.00 N ATOM 808 CA GLU A 58 1.314 3.846 0.208 1.00 0.00 C ATOM 809 C GLU A 58 1.019 3.331 1.618 1.00 0.00 C ATOM 810 O GLU A 58 1.106 4.082 2.587 1.00 0.00 O ATOM 811 CB GLU A 58 2.821 3.916 -0.046 1.00 0.00 C ATOM 812 CG GLU A 58 3.478 4.973 0.842 1.00 0.00 C ATOM 813 CD GLU A 58 5.000 4.815 0.848 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.488 4.048 1.705 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.641 5.466 -0.006 1.00 0.00 O ATOM 0 H GLU A 58 1.198 5.928 0.409 1.00 0.00 H new ATOM 0 HA GLU A 58 0.891 3.144 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.272 2.942 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.006 4.150 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.214 5.968 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.096 4.887 1.859 1.00 0.00 H new ATOM 822 N TRP A 59 0.676 2.053 1.687 1.00 0.00 N ATOM 823 CA TRP A 59 0.367 1.429 2.963 1.00 0.00 C ATOM 824 C TRP A 59 0.723 -0.055 2.861 1.00 0.00 C ATOM 825 O TRP A 59 0.646 -0.643 1.783 1.00 0.00 O ATOM 826 CB TRP A 59 -1.092 1.669 3.352 1.00 0.00 C ATOM 827 CG TRP A 59 -1.586 0.777 4.493 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.211 -0.406 4.404 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.472 1.045 5.906 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.506 -0.916 5.652 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.042 -0.006 6.594 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.905 2.141 6.580 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.101 -0.066 7.991 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.972 2.066 7.977 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.543 1.015 8.684 1.00 0.00 C ATOM 0 H TRP A 59 0.605 1.433 0.880 1.00 0.00 H new ATOM 0 HA TRP A 59 0.957 1.875 3.764 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.213 2.713 3.642 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.722 1.506 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.453 -0.898 3.473 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.978 -1.799 5.847 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.454 2.974 6.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.552 -0.901 8.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.550 2.882 8.544 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.556 1.032 9.764 1.00 0.00 H new ATOM 846 N PRO A 60 1.115 -0.634 4.028 1.00 0.00 N ATOM 847 CA PRO A 60 1.482 -2.040 4.079 1.00 0.00 C ATOM 848 C PRO A 60 0.242 -2.933 4.013 1.00 0.00 C ATOM 849 O PRO A 60 -0.851 -2.513 4.390 1.00 0.00 O ATOM 850 CB PRO A 60 2.257 -2.195 5.378 1.00 0.00 C ATOM 851 CG PRO A 60 1.898 -0.985 6.226 1.00 0.00 C ATOM 852 CD PRO A 60 1.218 0.031 5.323 1.00 0.00 C ATOM 0 HA PRO A 60 2.089 -2.348 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.987 -3.121 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.330 -2.235 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.236 -1.274 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.793 -0.556 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.235 0.306 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.801 0.949 5.251 1.00 0.00 H new ATOM 860 N ILE A 61 0.453 -4.149 3.529 1.00 0.00 N ATOM 861 CA ILE A 61 -0.634 -5.106 3.407 1.00 0.00 C ATOM 862 C ILE A 61 -0.322 -6.336 4.262 1.00 0.00 C ATOM 863 O ILE A 61 0.640 -7.055 3.994 1.00 0.00 O ATOM 864 CB ILE A 61 -0.900 -5.429 1.937 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.183 -6.249 1.778 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.306 -6.125 1.300 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.723 -6.151 0.350 1.00 0.00 C ATOM 0 H ILE A 61 1.361 -4.493 3.217 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.562 -4.680 3.788 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.049 -4.490 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.985 -7.292 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.936 -5.892 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.090 -6.343 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.177 -5.473 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.511 -7.055 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.635 -6.742 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.943 -5.110 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.977 -6.531 -0.348 1.00 0.00 H new ATOM 879 N LEU A 62 -1.154 -6.541 5.272 1.00 0.00 N ATOM 880 CA LEU A 62 -0.980 -7.672 6.167 1.00 0.00 C ATOM 881 C LEU A 62 -1.620 -8.914 5.543 1.00 0.00 C ATOM 882 O LEU A 62 -2.803 -8.904 5.207 1.00 0.00 O ATOM 883 CB LEU A 62 -1.515 -7.339 7.561 1.00 0.00 C ATOM 884 CG LEU A 62 -0.735 -6.282 8.344 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.414 -5.977 9.681 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.726 -6.700 8.526 1.00 0.00 C ATOM 0 H LEU A 62 -1.951 -5.943 5.491 1.00 0.00 H new ATOM 0 HA LEU A 62 0.079 -7.892 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.546 -7.001 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.536 -8.256 8.149 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.736 -5.359 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.839 -5.222 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.422 -5.604 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.465 -6.887 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.258 -5.931 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.770 -7.642 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.193 -6.826 7.549 1.00 0.00 H new ATOM 898 N SER A 63 -0.809 -9.954 5.408 1.00 0.00 N ATOM 899 CA SER A 63 -1.281 -11.200 4.830 1.00 0.00 C ATOM 900 C SER A 63 -2.468 -11.734 5.636 1.00 0.00 C ATOM 901 O SER A 63 -3.158 -12.651 5.196 1.00 0.00 O ATOM 902 CB SER A 63 -0.162 -12.243 4.781 1.00 0.00 C ATOM 903 OG SER A 63 0.326 -12.565 6.080 1.00 0.00 O ATOM 0 H SER A 63 0.171 -9.958 5.689 1.00 0.00 H new ATOM 0 HA SER A 63 -1.603 -11.002 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.531 -13.148 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.658 -11.867 4.169 1.00 0.00 H new ATOM 0 HG SER A 63 1.037 -13.235 6.005 1.00 0.00 H new ATOM 909 N SER A 64 -2.668 -11.135 6.801 1.00 0.00 N ATOM 910 CA SER A 64 -3.759 -11.540 7.672 1.00 0.00 C ATOM 911 C SER A 64 -5.002 -10.698 7.377 1.00 0.00 C ATOM 912 O SER A 64 -6.096 -11.016 7.841 1.00 0.00 O ATOM 913 CB SER A 64 -3.366 -11.408 9.144 1.00 0.00 C ATOM 914 OG SER A 64 -2.780 -12.604 9.650 1.00 0.00 O ATOM 0 H SER A 64 -2.094 -10.373 7.162 1.00 0.00 H new ATOM 0 HA SER A 64 -3.983 -12.589 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.663 -10.583 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.248 -11.159 9.734 1.00 0.00 H new ATOM 0 HG SER A 64 -2.542 -12.478 10.592 1.00 0.00 H new ATOM 920 N GLY A 65 -4.793 -9.640 6.607 1.00 0.00 N ATOM 921 CA GLY A 65 -5.884 -8.751 6.245 1.00 0.00 C ATOM 922 C GLY A 65 -6.245 -7.825 7.409 1.00 0.00 C ATOM 923 O GLY A 65 -7.417 -7.522 7.624 1.00 0.00 O ATOM 0 H GLY A 65 -3.885 -9.379 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.601 -8.156 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.757 -9.338 5.958 1.00 0.00 H new ATOM 927 N ASP A 66 -5.216 -7.402 8.127 1.00 0.00 N ATOM 928 CA ASP A 66 -5.411 -6.517 9.264 1.00 0.00 C ATOM 929 C ASP A 66 -4.774 -5.159 8.962 1.00 0.00 C ATOM 930 O ASP A 66 -4.305 -4.923 7.850 1.00 0.00 O ATOM 931 CB ASP A 66 -4.748 -7.081 10.522 1.00 0.00 C ATOM 932 CG ASP A 66 -5.530 -8.195 11.220 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.715 -8.367 10.863 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.925 -8.849 12.097 1.00 0.00 O ATOM 0 H ASP A 66 -4.245 -7.655 7.944 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.483 -6.419 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.762 -7.462 10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.595 -6.267 11.230 1.00 0.00 H new ATOM 939 N VAL A 67 -4.778 -4.301 9.972 1.00 0.00 N ATOM 940 CA VAL A 67 -4.207 -2.974 9.828 1.00 0.00 C ATOM 941 C VAL A 67 -2.808 -2.955 10.449 1.00 0.00 C ATOM 942 O VAL A 67 -2.666 -3.025 11.669 1.00 0.00 O ATOM 943 CB VAL A 67 -5.145 -1.931 10.439 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.453 -0.571 10.556 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.440 -1.820 9.632 1.00 0.00 C ATOM 0 H VAL A 67 -5.168 -4.500 10.893 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.099 -2.718 8.774 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.404 -2.262 11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.142 0.151 10.993 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.573 -0.664 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.150 -0.230 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.089 -1.072 10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.207 -1.524 8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.948 -2.785 9.624 1.00 0.00 H new ATOM 955 N TYR A 68 -1.811 -2.861 9.581 1.00 0.00 N ATOM 956 CA TYR A 68 -0.429 -2.833 10.029 1.00 0.00 C ATOM 957 C TYR A 68 -0.263 -1.909 11.237 1.00 0.00 C ATOM 958 O TYR A 68 -1.182 -1.170 11.589 1.00 0.00 O ATOM 959 CB TYR A 68 0.382 -2.273 8.859 1.00 0.00 C ATOM 960 CG TYR A 68 1.867 -2.073 9.170 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.595 -3.096 9.743 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.477 -0.871 8.876 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.992 -2.908 10.035 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.875 -0.683 9.169 1.00 0.00 C ATOM 965 CZ TYR A 68 4.563 -1.711 9.734 1.00 0.00 C ATOM 966 OH TYR A 68 5.883 -1.533 10.010 1.00 0.00 O ATOM 0 H TYR A 68 -1.933 -2.803 8.570 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.102 -3.829 10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.287 -2.948 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.047 -1.318 8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.117 -4.037 9.972 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.907 -0.071 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.574 -3.700 10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.365 0.253 8.945 1.00 0.00 H new ATOM 0 HH TYR A 68 6.066 -1.816 10.930 1.00 0.00 H new ATOM 976 N SER A 69 0.915 -1.980 11.838 1.00 0.00 N ATOM 977 CA SER A 69 1.214 -1.158 13.000 1.00 0.00 C ATOM 978 C SER A 69 1.954 0.109 12.568 1.00 0.00 C ATOM 979 O SER A 69 1.549 1.217 12.914 1.00 0.00 O ATOM 980 CB SER A 69 2.043 -1.934 14.025 1.00 0.00 C ATOM 981 OG SER A 69 3.225 -2.483 13.450 1.00 0.00 O ATOM 0 H SER A 69 1.674 -2.594 11.543 1.00 0.00 H new ATOM 0 HA SER A 69 0.272 -0.878 13.472 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.314 -1.272 14.848 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.439 -2.737 14.447 1.00 0.00 H new ATOM 0 HG SER A 69 3.727 -2.969 14.137 1.00 0.00 H new ATOM 987 N GLY A 70 3.026 -0.098 11.818 1.00 0.00 N ATOM 988 CA GLY A 70 3.827 1.015 11.335 1.00 0.00 C ATOM 989 C GLY A 70 5.315 0.658 11.333 1.00 0.00 C ATOM 990 O GLY A 70 5.764 -0.154 12.141 1.00 0.00 O ATOM 0 H GLY A 70 3.359 -1.019 11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.512 1.284 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.660 1.889 11.965 1.00 0.00 H new ATOM 994 N GLY A 71 6.040 1.284 10.418 1.00 0.00 N ATOM 995 CA GLY A 71 7.467 1.044 10.300 1.00 0.00 C ATOM 996 C GLY A 71 7.758 -0.036 9.255 1.00 0.00 C ATOM 997 O GLY A 71 7.608 0.199 8.057 1.00 0.00 O ATOM 0 H GLY A 71 5.665 1.958 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.973 1.969 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.869 0.738 11.266 1.00 0.00 H new ATOM 1001 N SER A 72 8.169 -1.196 9.747 1.00 0.00 N ATOM 1002 CA SER A 72 8.481 -2.312 8.871 1.00 0.00 C ATOM 1003 C SER A 72 7.333 -3.323 8.881 1.00 0.00 C ATOM 1004 O SER A 72 7.253 -4.167 9.770 1.00 0.00 O ATOM 1005 CB SER A 72 9.788 -2.989 9.288 1.00 0.00 C ATOM 1006 OG SER A 72 10.434 -3.626 8.188 1.00 0.00 O ATOM 0 H SER A 72 8.293 -1.387 10.741 1.00 0.00 H new ATOM 0 HA SER A 72 8.608 -1.928 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.458 -2.247 9.722 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.583 -3.726 10.064 1.00 0.00 H new ATOM 0 HG SER A 72 11.265 -4.045 8.495 1.00 0.00 H new ATOM 1012 N PRO A 73 6.450 -3.198 7.854 1.00 0.00 N ATOM 1013 CA PRO A 73 5.309 -4.090 7.735 1.00 0.00 C ATOM 1014 C PRO A 73 5.743 -5.472 7.241 1.00 0.00 C ATOM 1015 O PRO A 73 5.491 -6.478 7.902 1.00 0.00 O ATOM 1016 CB PRO A 73 4.358 -3.389 6.780 1.00 0.00 C ATOM 1017 CG PRO A 73 5.196 -2.359 6.039 1.00 0.00 C ATOM 1018 CD PRO A 73 6.513 -2.208 6.782 1.00 0.00 C ATOM 0 HA PRO A 73 4.822 -4.280 8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.908 -4.099 6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.542 -2.912 7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.372 -2.678 5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.673 -1.404 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.362 -2.391 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.630 -1.200 7.180 1.00 0.00 H new ATOM 1026 N GLY A 74 6.387 -5.476 6.083 1.00 0.00 N ATOM 1027 CA GLY A 74 6.858 -6.717 5.493 1.00 0.00 C ATOM 1028 C GLY A 74 7.015 -6.578 3.978 1.00 0.00 C ATOM 1029 O GLY A 74 6.594 -7.454 3.224 1.00 0.00 O ATOM 0 H GLY A 74 6.594 -4.639 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.814 -6.995 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.156 -7.520 5.717 1.00 0.00 H new ATOM 1033 N ALA A 75 7.623 -5.471 3.577 1.00 0.00 N ATOM 1034 CA ALA A 75 7.841 -5.207 2.165 1.00 0.00 C ATOM 1035 C ALA A 75 6.495 -4.953 1.484 1.00 0.00 C ATOM 1036 O ALA A 75 6.338 -3.975 0.755 1.00 0.00 O ATOM 1037 CB ALA A 75 8.601 -6.377 1.538 1.00 0.00 C ATOM 0 H ALA A 75 7.971 -4.747 4.205 1.00 0.00 H new ATOM 0 HA ALA A 75 8.451 -4.314 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.764 -6.179 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.562 -6.496 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.018 -7.291 1.650 1.00 0.00 H new ATOM 1043 N ASP A 76 5.557 -5.852 1.745 1.00 0.00 N ATOM 1044 CA ASP A 76 4.229 -5.738 1.167 1.00 0.00 C ATOM 1045 C ASP A 76 3.628 -4.384 1.544 1.00 0.00 C ATOM 1046 O ASP A 76 3.598 -4.018 2.719 1.00 0.00 O ATOM 1047 CB ASP A 76 3.302 -6.833 1.699 1.00 0.00 C ATOM 1048 CG ASP A 76 3.959 -8.199 1.898 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.943 -8.466 1.174 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.465 -8.946 2.769 1.00 0.00 O ATOM 0 H ASP A 76 5.691 -6.663 2.349 1.00 0.00 H new ATOM 0 HA ASP A 76 4.322 -5.838 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.887 -6.505 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.466 -6.946 1.009 1.00 0.00 H new ATOM 1055 N ARG A 77 3.162 -3.675 0.526 1.00 0.00 N ATOM 1056 CA ARG A 77 2.563 -2.367 0.736 1.00 0.00 C ATOM 1057 C ARG A 77 1.521 -2.081 -0.347 1.00 0.00 C ATOM 1058 O ARG A 77 1.755 -2.347 -1.525 1.00 0.00 O ATOM 1059 CB ARG A 77 3.624 -1.266 0.716 1.00 0.00 C ATOM 1060 CG ARG A 77 4.824 -1.645 1.586 1.00 0.00 C ATOM 1061 CD ARG A 77 4.746 -0.966 2.955 1.00 0.00 C ATOM 1062 NE ARG A 77 6.071 -0.422 3.327 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.078 -1.162 3.810 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.916 -2.480 3.984 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.246 -0.583 4.121 1.00 0.00 N ATOM 0 H ARG A 77 3.187 -3.981 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 77 2.083 -2.375 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.953 -1.092 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.191 -0.332 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.857 -2.727 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.747 -1.355 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.008 -0.164 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.414 -1.682 3.707 1.00 0.00 H new ATOM 0 HE ARG A 77 6.227 0.579 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.026 -2.920 3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.682 -3.044 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.368 0.421 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.013 -1.146 4.489 1.00 0.00 H new ATOM 1079 N VAL A 78 0.391 -1.544 0.091 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.688 -1.218 -0.827 1.00 0.00 C ATOM 1081 C VAL A 78 -0.684 0.287 -1.098 1.00 0.00 C ATOM 1082 O VAL A 78 -0.629 1.089 -0.168 1.00 0.00 O ATOM 1083 CB VAL A 78 -2.019 -1.723 -0.268 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.984 -1.785 1.261 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.182 -0.854 -0.754 1.00 0.00 C ATOM 0 H VAL A 78 0.199 -1.327 1.069 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.542 -1.719 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.177 -2.735 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.943 -2.147 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.192 -2.463 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.793 -0.789 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.117 -1.234 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.031 0.174 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.227 -0.882 -1.843 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.743 0.626 -2.378 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.748 2.021 -2.783 1.00 0.00 C ATOM 1097 C VAL A 79 -2.152 2.405 -3.256 1.00 0.00 C ATOM 1098 O VAL A 79 -2.738 1.720 -4.094 1.00 0.00 O ATOM 1099 CB VAL A 79 0.327 2.260 -3.845 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.225 3.676 -4.418 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.724 1.998 -3.279 1.00 0.00 C ATOM 0 H VAL A 79 -0.788 -0.042 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.502 2.665 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 79 0.157 1.555 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.000 3.821 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.755 3.814 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.357 4.403 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.470 2.175 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.908 2.668 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.791 0.964 -2.940 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.650 3.499 -2.701 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.973 3.984 -3.055 1.00 0.00 C ATOM 1113 C PHE A 80 -4.006 5.513 -3.092 1.00 0.00 C ATOM 1114 O PHE A 80 -2.962 6.158 -3.162 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.935 3.490 -1.972 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.690 4.107 -0.594 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.546 3.821 0.085 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.614 4.940 -0.047 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.318 4.394 1.364 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.387 5.513 1.232 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.244 5.228 1.911 1.00 0.00 C ATOM 0 H PHE A 80 -2.161 4.065 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.251 3.618 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.957 3.710 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.852 2.406 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.812 3.158 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.522 5.166 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.410 4.168 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.122 6.175 1.665 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.071 5.663 2.884 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.217 6.048 -3.041 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.401 7.489 -3.069 1.00 0.00 C ATOM 1133 C ASN A 81 -6.423 7.889 -2.002 1.00 0.00 C ATOM 1134 O ASN A 81 -6.727 7.104 -1.104 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.930 7.952 -4.427 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.566 6.953 -5.527 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.776 7.228 -6.414 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.185 5.780 -5.420 1.00 0.00 N ATOM 0 H ASN A 81 -6.081 5.509 -2.980 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.434 7.955 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.013 8.067 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.516 8.931 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.009 5.046 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.836 5.615 -4.652 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.923 9.108 -2.135 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.904 9.621 -1.193 1.00 0.00 C ATOM 1147 C GLU A 82 -9.321 9.332 -1.694 1.00 0.00 C ATOM 1148 O GLU A 82 -10.275 9.988 -1.278 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.703 11.118 -0.954 1.00 0.00 C ATOM 1150 CG GLU A 82 -7.844 11.460 0.531 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.286 11.841 0.871 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.740 12.876 0.338 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.901 11.089 1.658 1.00 0.00 O ATOM 0 H GLU A 82 -6.668 9.756 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.765 9.112 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.716 11.417 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.434 11.684 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.538 10.606 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.177 12.285 0.783 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.414 8.349 -2.577 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.698 7.964 -3.137 1.00 0.00 C ATOM 1162 C ASN A 83 -11.141 6.637 -2.521 1.00 0.00 C ATOM 1163 O ASN A 83 -12.336 6.365 -2.416 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.603 7.775 -4.652 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.144 7.770 -5.114 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.523 8.803 -5.305 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.634 6.554 -5.283 1.00 0.00 N ATOM 0 H ASN A 83 -8.620 7.807 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.413 8.756 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.081 6.837 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.145 8.575 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.668 6.444 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.209 5.731 -5.105 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.155 5.843 -2.129 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.429 4.550 -1.527 1.00 0.00 C ATOM 1176 C ASN A 84 -10.057 3.442 -2.514 1.00 0.00 C ATOM 1177 O ASN A 84 -10.520 2.310 -2.387 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.913 4.403 -1.189 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.721 4.007 -2.426 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.793 3.432 -2.342 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.147 4.346 -3.577 1.00 0.00 N ATOM 0 H ASN A 84 -9.165 6.071 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.841 4.474 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.040 3.650 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.293 5.343 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.607 4.125 -4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.247 4.827 -3.576 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.224 3.808 -3.478 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.784 2.859 -4.487 1.00 0.00 C ATOM 1190 C GLN A 85 -7.436 2.252 -4.093 1.00 0.00 C ATOM 1191 O GLN A 85 -6.941 2.492 -2.994 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.706 3.521 -5.865 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.097 3.923 -6.359 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.005 4.734 -7.653 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.389 4.290 -8.723 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.477 5.945 -7.497 1.00 0.00 N ATOM 0 H GLN A 85 -8.842 4.748 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.518 2.056 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.066 4.402 -5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.248 2.835 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.699 3.030 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.604 4.510 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.176 6.255 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.373 6.564 -8.301 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.881 1.477 -5.014 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.601 0.833 -4.776 1.00 0.00 C ATOM 1207 C LEU A 86 -4.732 0.959 -6.030 1.00 0.00 C ATOM 1208 O LEU A 86 -5.167 0.616 -7.128 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.804 -0.611 -4.312 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.537 -1.454 -4.168 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.158 -2.107 -5.499 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.388 -0.624 -3.590 1.00 0.00 C ATOM 0 H LEU A 86 -7.295 1.281 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.069 1.331 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.316 -0.594 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.469 -1.108 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.741 -2.258 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.253 -2.701 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.971 -2.752 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.980 -1.334 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.499 -1.248 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.176 0.215 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.670 -0.247 -2.607 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.519 1.451 -5.824 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.586 1.626 -6.922 1.00 0.00 C ATOM 1226 C ALA A 87 -2.058 0.259 -7.360 1.00 0.00 C ATOM 1227 O ALA A 87 -1.776 0.047 -8.539 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.464 2.574 -6.493 1.00 0.00 C ATOM 0 H ALA A 87 -3.161 1.734 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.084 2.077 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.763 2.705 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.888 3.540 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.940 2.153 -5.635 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.940 -0.634 -6.388 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.452 -1.975 -6.659 1.00 0.00 C ATOM 1236 C GLY A 88 -0.937 -2.640 -5.380 1.00 0.00 C ATOM 1237 O GLY A 88 -1.458 -2.390 -4.294 1.00 0.00 O ATOM 0 H GLY A 88 -2.174 -0.455 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.252 -2.577 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.652 -1.932 -7.398 1.00 0.00 H new ATOM 1241 N VAL A 89 0.077 -3.474 -5.551 1.00 0.00 N ATOM 1242 CA VAL A 89 0.667 -4.176 -4.424 1.00 0.00 C ATOM 1243 C VAL A 89 2.190 -4.193 -4.580 1.00 0.00 C ATOM 1244 O VAL A 89 2.741 -5.089 -5.215 1.00 0.00 O ATOM 1245 CB VAL A 89 0.062 -5.576 -4.306 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.864 -6.440 -3.329 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.409 -5.506 -3.894 1.00 0.00 C ATOM 0 H VAL A 89 0.506 -3.680 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 89 0.442 -3.659 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 89 0.112 -6.045 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.413 -7.430 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.891 -6.532 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.860 -5.974 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.814 -6.515 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.493 -5.007 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.970 -4.946 -4.642 1.00 0.00 H new ATOM 1257 N ILE A 90 2.823 -3.192 -3.987 1.00 0.00 N ATOM 1258 CA ILE A 90 4.271 -3.081 -4.052 1.00 0.00 C ATOM 1259 C ILE A 90 4.894 -3.945 -2.954 1.00 0.00 C ATOM 1260 O ILE A 90 4.196 -4.412 -2.055 1.00 0.00 O ATOM 1261 CB ILE A 90 4.699 -1.613 -3.997 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.482 -1.031 -2.598 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.987 -0.793 -5.074 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.285 0.485 -2.658 1.00 0.00 C ATOM 0 H ILE A 90 2.361 -2.451 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 90 4.640 -3.461 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 90 5.767 -1.561 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.610 -1.496 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.339 -1.265 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.309 0.246 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.234 -1.192 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.909 -0.848 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.133 0.872 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.168 0.950 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.413 0.715 -3.270 1.00 0.00 H new ATOM 1276 N THR A 91 6.202 -4.132 -3.062 1.00 0.00 N ATOM 1277 CA THR A 91 6.926 -4.932 -2.090 1.00 0.00 C ATOM 1278 C THR A 91 8.422 -4.617 -2.150 1.00 0.00 C ATOM 1279 O THR A 91 8.967 -4.373 -3.226 1.00 0.00 O ATOM 1280 CB THR A 91 6.604 -6.405 -2.355 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.765 -7.099 -1.907 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.528 -6.729 -3.848 1.00 0.00 C ATOM 0 H THR A 91 6.778 -3.743 -3.808 1.00 0.00 H new ATOM 0 HA THR A 91 6.616 -4.695 -1.072 1.00 0.00 H new ATOM 0 HB THR A 91 5.657 -6.661 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.972 -7.827 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.297 -7.786 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.747 -6.127 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.486 -6.506 -4.318 1.00 0.00 H new ATOM 1290 N HIS A 92 9.045 -4.634 -0.981 1.00 0.00 N ATOM 1291 CA HIS A 92 10.468 -4.353 -0.886 1.00 0.00 C ATOM 1292 C HIS A 92 11.263 -5.546 -1.423 1.00 0.00 C ATOM 1293 O HIS A 92 12.423 -5.735 -1.064 1.00 0.00 O ATOM 1294 CB HIS A 92 10.854 -3.981 0.546 1.00 0.00 C ATOM 1295 CG HIS A 92 10.677 -2.516 0.868 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.634 -1.774 1.538 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.645 -1.663 0.604 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.188 -0.533 1.667 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.955 -0.467 1.088 1.00 0.00 N ATOM 0 H HIS A 92 8.590 -4.838 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 92 10.714 -3.489 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.253 -4.570 1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.895 -4.256 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.731 -1.918 0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.709 0.283 2.146 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.368 0.365 1.036 1.00 0.00 H new ATOM 1308 N THR A 93 10.605 -6.320 -2.275 1.00 0.00 N ATOM 1309 CA THR A 93 11.236 -7.488 -2.864 1.00 0.00 C ATOM 1310 C THR A 93 12.505 -7.085 -3.617 1.00 0.00 C ATOM 1311 O THR A 93 12.482 -6.917 -4.835 1.00 0.00 O ATOM 1312 CB THR A 93 10.201 -8.189 -3.747 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.581 -9.131 -2.876 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.847 -9.053 -4.833 1.00 0.00 C ATOM 0 H THR A 93 9.642 -6.160 -2.571 1.00 0.00 H new ATOM 0 HA THR A 93 11.561 -8.192 -2.098 1.00 0.00 H new ATOM 0 HB THR A 93 9.557 -7.443 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.895 -9.629 -3.368 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.069 -9.528 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.467 -8.427 -5.475 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.466 -9.820 -4.367 1.00 0.00 H new ATOM 1322 N GLY A 94 13.584 -6.944 -2.861 1.00 0.00 N ATOM 1323 CA GLY A 94 14.861 -6.564 -3.441 1.00 0.00 C ATOM 1324 C GLY A 94 14.671 -5.533 -4.556 1.00 0.00 C ATOM 1325 O GLY A 94 15.375 -5.566 -5.564 1.00 0.00 O ATOM 0 H GLY A 94 13.600 -7.086 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.508 -6.152 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.361 -7.447 -3.839 1.00 0.00 H new ATOM 1329 N ALA A 95 13.717 -4.641 -4.336 1.00 0.00 N ATOM 1330 CA ALA A 95 13.426 -3.601 -5.308 1.00 0.00 C ATOM 1331 C ALA A 95 14.586 -2.603 -5.345 1.00 0.00 C ATOM 1332 O ALA A 95 14.589 -1.679 -6.155 1.00 0.00 O ATOM 1333 CB ALA A 95 12.095 -2.933 -4.960 1.00 0.00 C ATOM 0 H ALA A 95 13.135 -4.617 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 95 13.326 -4.028 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.878 -2.153 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.299 -3.677 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.158 -2.492 -3.965 1.00 0.00 H new ATOM 1339 N SER A 96 15.543 -2.825 -4.456 1.00 0.00 N ATOM 1340 CA SER A 96 16.707 -1.958 -4.376 1.00 0.00 C ATOM 1341 C SER A 96 16.829 -1.376 -2.965 1.00 0.00 C ATOM 1342 O SER A 96 17.353 -0.278 -2.787 1.00 0.00 O ATOM 1343 CB SER A 96 16.626 -0.832 -5.409 1.00 0.00 C ATOM 1344 OG SER A 96 17.840 -0.092 -5.487 1.00 0.00 O ATOM 0 H SER A 96 15.536 -3.593 -3.785 1.00 0.00 H new ATOM 0 HA SER A 96 17.594 -2.553 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.395 -1.253 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.808 -0.160 -5.150 1.00 0.00 H new ATOM 0 HG SER A 96 18.153 0.120 -4.583 1.00 0.00 H new ATOM 1350 N GLY A 97 16.338 -2.139 -2.000 1.00 0.00 N ATOM 1351 CA GLY A 97 16.386 -1.714 -0.612 1.00 0.00 C ATOM 1352 C GLY A 97 15.065 -1.069 -0.190 1.00 0.00 C ATOM 1353 O GLY A 97 14.139 -1.762 0.233 1.00 0.00 O ATOM 0 H GLY A 97 15.905 -3.050 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.597 -2.571 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.202 -1.005 -0.473 1.00 0.00 H new ATOM 1357 N ASN A 98 15.018 0.248 -0.318 1.00 0.00 N ATOM 1358 CA ASN A 98 13.825 0.994 0.045 1.00 0.00 C ATOM 1359 C ASN A 98 12.965 1.210 -1.202 1.00 0.00 C ATOM 1360 O ASN A 98 12.077 2.062 -1.208 1.00 0.00 O ATOM 1361 CB ASN A 98 14.186 2.367 0.615 1.00 0.00 C ATOM 1362 CG ASN A 98 13.139 2.832 1.628 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.429 3.539 2.579 1.00 0.00 O ATOM 1364 ND2 ASN A 98 11.908 2.398 1.373 1.00 0.00 N ATOM 0 H ASN A 98 15.787 0.819 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 98 13.286 0.421 0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.164 2.320 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.261 3.093 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.138 2.655 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.733 1.809 0.559 1.00 0.00 H new ATOM 1371 N ASN A 99 13.259 0.427 -2.228 1.00 0.00 N ATOM 1372 CA ASN A 99 12.524 0.521 -3.479 1.00 0.00 C ATOM 1373 C ASN A 99 11.256 -0.329 -3.385 1.00 0.00 C ATOM 1374 O ASN A 99 11.139 -1.181 -2.506 1.00 0.00 O ATOM 1375 CB ASN A 99 13.359 -0.001 -4.650 1.00 0.00 C ATOM 1376 CG ASN A 99 13.980 1.153 -5.439 1.00 0.00 C ATOM 1377 OD1 ASN A 99 13.810 2.319 -5.121 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.706 0.766 -6.482 1.00 0.00 N ATOM 0 H ASN A 99 13.997 -0.277 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 99 12.282 1.570 -3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.146 -0.656 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.732 -0.601 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.162 1.462 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.808 -0.227 -6.692 1.00 0.00 H new ATOM 1385 N PHE A 100 10.338 -0.068 -4.304 1.00 0.00 N ATOM 1386 CA PHE A 100 9.083 -0.798 -4.336 1.00 0.00 C ATOM 1387 C PHE A 100 8.841 -1.413 -5.717 1.00 0.00 C ATOM 1388 O PHE A 100 9.435 -0.983 -6.704 1.00 0.00 O ATOM 1389 CB PHE A 100 7.970 0.210 -4.039 1.00 0.00 C ATOM 1390 CG PHE A 100 7.812 0.542 -2.553 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.553 -0.450 -1.660 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.931 1.827 -2.127 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.406 -0.143 -0.281 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.785 2.135 -0.749 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.525 1.144 0.145 1.00 0.00 C ATOM 0 H PHE A 100 10.439 0.639 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 100 9.105 -1.607 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.171 1.130 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.026 -0.185 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.459 -1.471 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.137 2.614 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.200 -0.930 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.880 3.156 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.413 1.378 1.193 1.00 0.00 H new ATOM 1405 N VAL A 101 7.968 -2.409 -5.741 1.00 0.00 N ATOM 1406 CA VAL A 101 7.642 -3.088 -6.984 1.00 0.00 C ATOM 1407 C VAL A 101 6.339 -3.871 -6.805 1.00 0.00 C ATOM 1408 O VAL A 101 6.170 -4.583 -5.817 1.00 0.00 O ATOM 1409 CB VAL A 101 8.813 -3.969 -7.423 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.026 -3.118 -7.803 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.174 -4.984 -6.336 1.00 0.00 C ATOM 0 H VAL A 101 7.476 -2.762 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 101 7.480 -2.365 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 101 8.502 -4.523 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.845 -3.768 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.761 -2.454 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.338 -2.525 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.009 -5.597 -6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.456 -4.456 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.314 -5.622 -6.134 1.00 0.00 H new ATOM 1421 N GLU A 102 5.452 -3.712 -7.777 1.00 0.00 N ATOM 1422 CA GLU A 102 4.171 -4.396 -7.739 1.00 0.00 C ATOM 1423 C GLU A 102 4.378 -5.907 -7.622 1.00 0.00 C ATOM 1424 O GLU A 102 5.033 -6.515 -8.467 1.00 0.00 O ATOM 1425 CB GLU A 102 3.330 -4.051 -8.970 1.00 0.00 C ATOM 1426 CG GLU A 102 3.781 -2.727 -9.590 1.00 0.00 C ATOM 1427 CD GLU A 102 2.667 -2.112 -10.440 1.00 0.00 C ATOM 1428 OE1 GLU A 102 1.519 -2.093 -9.944 1.00 0.00 O ATOM 1429 OE2 GLU A 102 2.989 -1.674 -11.565 1.00 0.00 O ATOM 0 H GLU A 102 5.596 -3.120 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 102 3.625 -4.056 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.414 -4.849 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.279 -3.986 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.068 -2.031 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.665 -2.892 -10.206 1.00 0.00 H new ATOM 1436 N CYS A 103 3.809 -6.470 -6.566 1.00 0.00 N ATOM 1437 CA CYS A 103 3.922 -7.898 -6.328 1.00 0.00 C ATOM 1438 C CYS A 103 3.451 -8.635 -7.583 1.00 0.00 C ATOM 1439 O CYS A 103 3.204 -8.014 -8.615 1.00 0.00 O ATOM 1440 CB CYS A 103 3.140 -8.329 -5.086 1.00 0.00 C ATOM 1441 SG CYS A 103 3.677 -7.534 -3.526 1.00 0.00 S ATOM 0 H CYS A 103 3.268 -5.962 -5.866 1.00 0.00 H new ATOM 0 HA CYS A 103 4.963 -8.153 -6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.084 -8.110 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.228 -9.410 -4.976 1.00 0.00 H new ATOM 0 HG CYS A 103 3.069 -8.094 -2.522 1.00 0.00 H new ATOM 1446 N THR A 104 3.338 -9.949 -7.453 1.00 0.00 N ATOM 1447 CA THR A 104 2.900 -10.776 -8.563 1.00 0.00 C ATOM 1448 C THR A 104 1.565 -11.448 -8.234 1.00 0.00 C ATOM 1449 O THR A 104 1.190 -12.434 -8.867 1.00 0.00 O ATOM 1450 CB THR A 104 4.018 -11.770 -8.883 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.195 -12.496 -7.669 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.367 -11.083 -9.106 1.00 0.00 C ATOM 0 H THR A 104 3.543 -10.461 -6.595 1.00 0.00 H new ATOM 0 HA THR A 104 2.715 -10.176 -9.454 1.00 0.00 H new ATOM 0 HB THR A 104 3.751 -12.342 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.576 -12.154 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.125 -11.834 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.287 -10.388 -9.942 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.651 -10.538 -8.206 1.00 0.00 H new TER 1460 THR A 104