USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 914 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 63 TYR OH : rot -37:sc= 1.4 USER MOD Set 1.2: A 65 CYS SG : rot 180:sc= 1.11 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -136:sc= -0.0895 (180deg=-0.596) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 171:sc= -0.573 (180deg=-0.844) USER MOD Set 3.1: A 1 MET N :NH3+ -148:sc= -0.0191 (180deg=0) USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0.00584 USER MOD Set 4.1: A 1 MET CE :methyl -134:sc= -1.2 (180deg=-3.66!) USER MOD Set 4.2: A 33 ASN : amide:sc= -0.202 X(o=-1.4,f=-1.4) USER MOD Set 4.3: A 82 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.143) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 164:sc=-0.00329 (180deg=-0.238) USER MOD Single : A 10 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.008) USER MOD Single : A 11 CYS SG : rot -77:sc= -1.64! USER MOD Single : A 16 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0474) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.577 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.212 (180deg=-1.28) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.986 (180deg=-3.38!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.523 USER MOD Single : A 67 ASN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.208 (180deg=-1.17) USER MOD Single : A 70 GLN : amide:sc= 0.0539 X(o=0.054,f=-0.0031) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0276 USER MOD Single : A 78 ASN : amide:sc= -0.0991 X(o=-0.099,f=-0.17) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -92:sc= -0.105 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 89 SER OG : rot -160:sc= -0.045 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -0.267 (180deg=-0.556) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 109 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-1.2) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.643 0.235 1.006 1.00 33.12 N ATOM 2 CA MET A 1 2.073 0.514 -0.359 1.00 60.30 C ATOM 3 C MET A 1 2.564 -0.757 -1.045 1.00 30.44 C ATOM 4 O MET A 1 2.078 -1.124 -2.114 1.00 33.42 O ATOM 5 CB MET A 1 3.181 1.569 -0.362 1.00 14.11 C ATOM 6 CG MET A 1 2.677 2.978 -0.633 1.00 23.42 C ATOM 7 SD MET A 1 3.945 4.042 -1.348 1.00 14.54 S ATOM 8 CE MET A 1 3.033 4.799 -2.691 1.00 70.43 C ATOM 0 H1 MET A 1 0.866 0.877 1.263 1.00 33.12 H new ATOM 0 H2 MET A 1 1.315 -0.750 1.072 1.00 33.12 H new ATOM 0 H3 MET A 1 2.441 0.379 1.658 1.00 33.12 H new ATOM 0 HA MET A 1 1.215 0.896 -0.912 1.00 60.30 H new ATOM 0 HB2 MET A 1 3.690 1.553 0.602 1.00 14.11 H new ATOM 0 HB3 MET A 1 3.921 1.305 -1.117 1.00 14.11 H new ATOM 0 HG2 MET A 1 1.824 2.931 -1.309 1.00 23.42 H new ATOM 0 HG3 MET A 1 2.321 3.418 0.299 1.00 23.42 H new ATOM 0 HE1 MET A 1 3.635 4.775 -3.599 1.00 70.43 H new ATOM 0 HE2 MET A 1 2.106 4.250 -2.856 1.00 70.43 H new ATOM 0 HE3 MET A 1 2.802 5.833 -2.436 1.00 70.43 H new ATOM 18 N ALA A 2 3.530 -1.425 -0.422 1.00 43.32 N ATOM 19 CA ALA A 2 4.085 -2.655 -0.972 1.00 62.20 C ATOM 20 C ALA A 2 4.093 -3.768 0.071 1.00 50.12 C ATOM 21 O ALA A 2 4.388 -3.532 1.242 1.00 15.54 O ATOM 22 CB ALA A 2 5.492 -2.411 -1.497 1.00 24.32 C ATOM 0 H ALA A 2 3.944 -1.135 0.464 1.00 43.32 H new ATOM 0 HA ALA A 2 3.450 -2.972 -1.799 1.00 62.20 H new ATOM 0 HB1 ALA A 2 5.894 -3.338 -1.905 1.00 24.32 H new ATOM 0 HB2 ALA A 2 5.462 -1.653 -2.280 1.00 24.32 H new ATOM 0 HB3 ALA A 2 6.129 -2.066 -0.683 1.00 24.32 H new ATOM 28 N SER A 3 3.767 -4.981 -0.363 1.00 33.32 N ATOM 29 CA SER A 3 3.732 -6.130 0.535 1.00 52.12 C ATOM 30 C SER A 3 2.492 -6.088 1.423 1.00 1.32 C ATOM 31 O SER A 3 1.670 -7.002 1.404 1.00 35.22 O ATOM 32 CB SER A 3 4.993 -6.166 1.401 1.00 54.14 C ATOM 33 OG SER A 3 5.412 -7.499 1.636 1.00 41.15 O ATOM 0 H SER A 3 3.523 -5.194 -1.330 1.00 33.32 H new ATOM 0 HA SER A 3 3.692 -7.034 -0.073 1.00 52.12 H new ATOM 0 HB2 SER A 3 5.792 -5.612 0.909 1.00 54.14 H new ATOM 0 HB3 SER A 3 4.799 -5.669 2.352 1.00 54.14 H new ATOM 0 HG SER A 3 6.220 -7.495 2.190 1.00 41.15 H new ATOM 39 N GLY A 4 2.366 -5.017 2.202 1.00 71.31 N ATOM 40 CA GLY A 4 1.225 -4.874 3.087 1.00 32.41 C ATOM 41 C GLY A 4 -0.037 -4.476 2.347 1.00 3.01 C ATOM 42 O GLY A 4 -0.624 -3.431 2.626 1.00 21.11 O ATOM 0 H GLY A 4 3.034 -4.247 2.236 1.00 71.31 H new ATOM 0 HA2 GLY A 4 1.054 -5.815 3.610 1.00 32.41 H new ATOM 0 HA3 GLY A 4 1.449 -4.124 3.846 1.00 32.41 H new ATOM 46 N MET A 5 -0.453 -5.310 1.400 1.00 55.32 N ATOM 47 CA MET A 5 -1.654 -5.038 0.617 1.00 5.11 C ATOM 48 C MET A 5 -2.838 -4.728 1.527 1.00 22.53 C ATOM 49 O MET A 5 -2.896 -5.193 2.665 1.00 14.31 O ATOM 50 CB MET A 5 -1.984 -6.232 -0.281 1.00 2.30 C ATOM 51 CG MET A 5 -2.004 -7.560 0.457 1.00 23.33 C ATOM 52 SD MET A 5 -3.580 -7.878 1.273 1.00 71.22 S ATOM 53 CE MET A 5 -3.028 -8.301 2.923 1.00 32.33 C ATOM 0 H MET A 5 0.023 -6.179 1.156 1.00 55.32 H new ATOM 0 HA MET A 5 -1.461 -4.166 -0.007 1.00 5.11 H new ATOM 0 HB2 MET A 5 -2.957 -6.069 -0.745 1.00 2.30 H new ATOM 0 HB3 MET A 5 -1.251 -6.284 -1.086 1.00 2.30 H new ATOM 0 HG2 MET A 5 -1.795 -8.365 -0.247 1.00 23.33 H new ATOM 0 HG3 MET A 5 -1.206 -7.570 1.200 1.00 23.33 H new ATOM 0 HE1 MET A 5 -3.870 -8.247 3.613 1.00 32.33 H new ATOM 0 HE2 MET A 5 -2.623 -9.313 2.923 1.00 32.33 H new ATOM 0 HE3 MET A 5 -2.254 -7.601 3.239 1.00 32.33 H new ATOM 63 N GLY A 6 -3.780 -3.941 1.018 1.00 12.41 N ATOM 64 CA GLY A 6 -4.950 -3.583 1.799 1.00 3.32 C ATOM 65 C GLY A 6 -6.246 -3.956 1.107 1.00 24.33 C ATOM 66 O GLY A 6 -6.820 -3.153 0.372 1.00 4.43 O ATOM 0 H GLY A 6 -3.754 -3.545 0.079 1.00 12.41 H new ATOM 0 HA2 GLY A 6 -4.903 -4.081 2.768 1.00 3.32 H new ATOM 0 HA3 GLY A 6 -4.940 -2.510 1.991 1.00 3.32 H new ATOM 70 N VAL A 7 -6.708 -5.181 1.341 1.00 42.42 N ATOM 71 CA VAL A 7 -7.944 -5.660 0.734 1.00 1.30 C ATOM 72 C VAL A 7 -9.161 -5.007 1.378 1.00 15.53 C ATOM 73 O VAL A 7 -9.555 -5.363 2.489 1.00 11.00 O ATOM 74 CB VAL A 7 -8.072 -7.190 0.855 1.00 40.15 C ATOM 75 CG1 VAL A 7 -7.095 -7.883 -0.083 1.00 31.11 C ATOM 76 CG2 VAL A 7 -7.848 -7.631 2.293 1.00 63.21 C ATOM 0 H VAL A 7 -6.245 -5.859 1.946 1.00 42.42 H new ATOM 0 HA VAL A 7 -7.905 -5.388 -0.321 1.00 1.30 H new ATOM 0 HB VAL A 7 -9.083 -7.477 0.565 1.00 40.15 H new ATOM 0 HG11 VAL A 7 -7.200 -8.963 0.016 1.00 31.11 H new ATOM 0 HG12 VAL A 7 -7.308 -7.591 -1.111 1.00 31.11 H new ATOM 0 HG13 VAL A 7 -6.076 -7.592 0.173 1.00 31.11 H new ATOM 0 HG21 VAL A 7 -7.942 -8.715 2.360 1.00 63.21 H new ATOM 0 HG22 VAL A 7 -6.850 -7.333 2.614 1.00 63.21 H new ATOM 0 HG23 VAL A 7 -8.591 -7.162 2.937 1.00 63.21 H new ATOM 86 N ASP A 8 -9.754 -4.049 0.674 1.00 52.12 N ATOM 87 CA ASP A 8 -10.929 -3.346 1.176 1.00 51.00 C ATOM 88 C ASP A 8 -12.209 -3.950 0.606 1.00 43.24 C ATOM 89 O ASP A 8 -12.168 -4.722 -0.351 1.00 72.15 O ATOM 90 CB ASP A 8 -10.850 -1.860 0.823 1.00 13.10 C ATOM 91 CG ASP A 8 -11.528 -0.982 1.857 1.00 22.52 C ATOM 92 OD1 ASP A 8 -11.479 -1.332 3.056 1.00 53.35 O ATOM 93 OD2 ASP A 8 -12.106 0.054 1.469 1.00 63.25 O ATOM 0 H ASP A 8 -9.440 -3.741 -0.246 1.00 52.12 H new ATOM 0 HA ASP A 8 -10.950 -3.453 2.261 1.00 51.00 H new ATOM 0 HB2 ASP A 8 -9.804 -1.567 0.731 1.00 13.10 H new ATOM 0 HB3 ASP A 8 -11.314 -1.695 -0.149 1.00 13.10 H new ATOM 98 N GLU A 9 -13.342 -3.593 1.201 1.00 13.32 N ATOM 99 CA GLU A 9 -14.633 -4.102 0.753 1.00 51.42 C ATOM 100 C GLU A 9 -14.950 -3.613 -0.658 1.00 31.51 C ATOM 101 O GLU A 9 -15.857 -4.124 -1.313 1.00 71.35 O ATOM 102 CB GLU A 9 -15.740 -3.667 1.716 1.00 51.35 C ATOM 103 CG GLU A 9 -15.700 -2.188 2.061 1.00 52.54 C ATOM 104 CD GLU A 9 -17.020 -1.681 2.609 1.00 1.30 C ATOM 105 OE1 GLU A 9 -17.638 -2.395 3.425 1.00 24.55 O ATOM 106 OE2 GLU A 9 -17.435 -0.568 2.221 1.00 23.23 O ATOM 0 H GLU A 9 -13.393 -2.954 1.994 1.00 13.32 H new ATOM 0 HA GLU A 9 -14.581 -5.191 0.739 1.00 51.42 H new ATOM 0 HB2 GLU A 9 -16.708 -3.902 1.274 1.00 51.35 H new ATOM 0 HB3 GLU A 9 -15.660 -4.248 2.635 1.00 51.35 H new ATOM 0 HG2 GLU A 9 -14.914 -2.011 2.795 1.00 52.54 H new ATOM 0 HG3 GLU A 9 -15.438 -1.618 1.170 1.00 52.54 H new ATOM 113 N ASN A 10 -14.196 -2.620 -1.118 1.00 23.54 N ATOM 114 CA ASN A 10 -14.396 -2.062 -2.450 1.00 13.33 C ATOM 115 C ASN A 10 -13.755 -2.948 -3.513 1.00 53.15 C ATOM 116 O ASN A 10 -14.256 -3.051 -4.634 1.00 43.21 O ATOM 117 CB ASN A 10 -13.812 -0.650 -2.526 1.00 51.35 C ATOM 118 CG ASN A 10 -14.769 0.401 -1.999 1.00 13.44 C ATOM 119 OD1 ASN A 10 -14.441 1.149 -1.077 1.00 51.12 O ATOM 120 ND2 ASN A 10 -15.961 0.463 -2.582 1.00 22.32 N ATOM 0 H ASN A 10 -13.441 -2.185 -0.588 1.00 23.54 H new ATOM 0 HA ASN A 10 -15.468 -2.015 -2.641 1.00 13.33 H new ATOM 0 HB2 ASN A 10 -12.885 -0.612 -1.954 1.00 51.35 H new ATOM 0 HB3 ASN A 10 -13.558 -0.420 -3.561 1.00 51.35 H new ATOM 0 HD21 ASN A 10 -16.647 1.150 -2.269 1.00 22.32 H new ATOM 0 HD22 ASN A 10 -16.191 -0.176 -3.343 1.00 22.32 H new ATOM 127 N CYS A 11 -12.647 -3.586 -3.155 1.00 2.44 N ATOM 128 CA CYS A 11 -11.937 -4.463 -4.078 1.00 64.41 C ATOM 129 C CYS A 11 -12.889 -5.474 -4.709 1.00 11.11 C ATOM 130 O CYS A 11 -12.700 -5.892 -5.851 1.00 62.31 O ATOM 131 CB CYS A 11 -10.806 -5.194 -3.352 1.00 60.14 C ATOM 132 SG CYS A 11 -11.329 -6.699 -2.498 1.00 63.51 S ATOM 0 H CYS A 11 -12.221 -3.512 -2.231 1.00 2.44 H new ATOM 0 HA CYS A 11 -11.512 -3.847 -4.871 1.00 64.41 H new ATOM 0 HB2 CYS A 11 -10.031 -5.450 -4.074 1.00 60.14 H new ATOM 0 HB3 CYS A 11 -10.356 -4.516 -2.627 1.00 60.14 H new ATOM 0 HG CYS A 11 -11.935 -6.382 -1.392 1.00 63.51 H new ATOM 138 N VAL A 12 -13.913 -5.864 -3.956 1.00 53.44 N ATOM 139 CA VAL A 12 -14.896 -6.826 -4.441 1.00 45.12 C ATOM 140 C VAL A 12 -16.051 -6.124 -5.145 1.00 52.05 C ATOM 141 O VAL A 12 -16.701 -6.699 -6.018 1.00 44.04 O ATOM 142 CB VAL A 12 -15.455 -7.685 -3.291 1.00 40.53 C ATOM 143 CG1 VAL A 12 -16.366 -8.775 -3.834 1.00 31.24 C ATOM 144 CG2 VAL A 12 -14.321 -8.284 -2.474 1.00 3.43 C ATOM 0 H VAL A 12 -14.083 -5.529 -3.008 1.00 53.44 H new ATOM 0 HA VAL A 12 -14.382 -7.474 -5.151 1.00 45.12 H new ATOM 0 HB VAL A 12 -16.045 -7.045 -2.635 1.00 40.53 H new ATOM 0 HG11 VAL A 12 -16.752 -9.372 -3.008 1.00 31.24 H new ATOM 0 HG12 VAL A 12 -17.198 -8.320 -4.372 1.00 31.24 H new ATOM 0 HG13 VAL A 12 -15.803 -9.416 -4.512 1.00 31.24 H new ATOM 0 HG21 VAL A 12 -14.734 -8.888 -1.666 1.00 3.43 H new ATOM 0 HG22 VAL A 12 -13.702 -8.911 -3.116 1.00 3.43 H new ATOM 0 HG23 VAL A 12 -13.713 -7.483 -2.054 1.00 3.43 H new ATOM 154 N ALA A 13 -16.302 -4.877 -4.760 1.00 41.02 N ATOM 155 CA ALA A 13 -17.378 -4.095 -5.357 1.00 2.05 C ATOM 156 C ALA A 13 -17.268 -4.080 -6.877 1.00 43.14 C ATOM 157 O ALA A 13 -18.274 -3.999 -7.581 1.00 55.42 O ATOM 158 CB ALA A 13 -17.363 -2.675 -4.810 1.00 54.03 C ATOM 0 H ALA A 13 -15.775 -4.387 -4.037 1.00 41.02 H new ATOM 0 HA ALA A 13 -18.325 -4.565 -5.093 1.00 2.05 H new ATOM 0 HB1 ALA A 13 -18.171 -2.102 -5.264 1.00 54.03 H new ATOM 0 HB2 ALA A 13 -17.499 -2.700 -3.729 1.00 54.03 H new ATOM 0 HB3 ALA A 13 -16.408 -2.205 -5.045 1.00 54.03 H new ATOM 164 N ARG A 14 -16.039 -4.158 -7.378 1.00 30.01 N ATOM 165 CA ARG A 14 -15.798 -4.151 -8.816 1.00 21.33 C ATOM 166 C ARG A 14 -15.991 -5.545 -9.406 1.00 23.22 C ATOM 167 O ARG A 14 -16.569 -5.701 -10.481 1.00 53.14 O ATOM 168 CB ARG A 14 -14.384 -3.650 -9.115 1.00 22.41 C ATOM 169 CG ARG A 14 -13.292 -4.488 -8.470 1.00 3.13 C ATOM 170 CD ARG A 14 -12.686 -5.471 -9.459 1.00 32.31 C ATOM 171 NE ARG A 14 -12.107 -6.634 -8.790 1.00 52.55 N ATOM 172 CZ ARG A 14 -11.017 -6.578 -8.033 1.00 71.54 C ATOM 173 NH1 ARG A 14 -10.391 -5.424 -7.849 1.00 74.12 N ATOM 174 NH2 ARG A 14 -10.551 -7.680 -7.458 1.00 50.32 N ATOM 0 H ARG A 14 -15.195 -4.227 -6.809 1.00 30.01 H new ATOM 0 HA ARG A 14 -16.520 -3.477 -9.277 1.00 21.33 H new ATOM 0 HB2 ARG A 14 -14.232 -3.639 -10.194 1.00 22.41 H new ATOM 0 HB3 ARG A 14 -14.292 -2.620 -8.770 1.00 22.41 H new ATOM 0 HG2 ARG A 14 -12.512 -3.834 -8.081 1.00 3.13 H new ATOM 0 HG3 ARG A 14 -13.704 -5.033 -7.620 1.00 3.13 H new ATOM 0 HD2 ARG A 14 -13.454 -5.800 -10.159 1.00 32.31 H new ATOM 0 HD3 ARG A 14 -11.916 -4.968 -10.044 1.00 32.31 H new ATOM 0 HE ARG A 14 -12.565 -7.538 -8.911 1.00 52.55 H new ATOM 0 HH11 ARG A 14 -10.746 -4.575 -8.289 1.00 74.12 H new ATOM 0 HH12 ARG A 14 -9.554 -5.385 -7.267 1.00 74.12 H new ATOM 0 HH21 ARG A 14 -11.030 -8.570 -7.598 1.00 50.32 H new ATOM 0 HH22 ARG A 14 -9.714 -7.637 -6.877 1.00 50.32 H new ATOM 188 N PHE A 15 -15.502 -6.556 -8.695 1.00 3.11 N ATOM 189 CA PHE A 15 -15.619 -7.937 -9.149 1.00 4.14 C ATOM 190 C PHE A 15 -17.078 -8.381 -9.169 1.00 53.11 C ATOM 191 O PHE A 15 -17.466 -9.237 -9.962 1.00 74.32 O ATOM 192 CB PHE A 15 -14.804 -8.864 -8.244 1.00 14.13 C ATOM 193 CG PHE A 15 -15.361 -10.256 -8.156 1.00 31.24 C ATOM 194 CD1 PHE A 15 -15.447 -11.055 -9.284 1.00 41.04 C ATOM 195 CD2 PHE A 15 -15.799 -10.766 -6.944 1.00 12.21 C ATOM 196 CE1 PHE A 15 -15.958 -12.337 -9.207 1.00 14.22 C ATOM 197 CE2 PHE A 15 -16.311 -12.047 -6.860 1.00 51.11 C ATOM 198 CZ PHE A 15 -16.392 -12.833 -7.993 1.00 0.20 C ATOM 0 H PHE A 15 -15.021 -6.445 -7.802 1.00 3.11 H new ATOM 0 HA PHE A 15 -15.226 -7.994 -10.164 1.00 4.14 H new ATOM 0 HB2 PHE A 15 -13.780 -8.913 -8.615 1.00 14.13 H new ATOM 0 HB3 PHE A 15 -14.760 -8.435 -7.243 1.00 14.13 H new ATOM 0 HD1 PHE A 15 -15.111 -10.671 -10.236 1.00 41.04 H new ATOM 0 HD2 PHE A 15 -15.740 -10.155 -6.055 1.00 12.21 H new ATOM 0 HE1 PHE A 15 -16.018 -12.950 -10.094 1.00 14.22 H new ATOM 0 HE2 PHE A 15 -16.648 -12.433 -5.909 1.00 51.11 H new ATOM 0 HZ PHE A 15 -16.794 -13.833 -7.930 1.00 0.20 H new ATOM 208 N ASN A 16 -17.882 -7.792 -8.290 1.00 12.51 N ATOM 209 CA ASN A 16 -19.299 -8.127 -8.205 1.00 51.55 C ATOM 210 C ASN A 16 -20.062 -7.571 -9.405 1.00 23.44 C ATOM 211 O ASN A 16 -21.204 -7.954 -9.657 1.00 3.22 O ATOM 212 CB ASN A 16 -19.898 -7.579 -6.908 1.00 44.22 C ATOM 213 CG ASN A 16 -20.856 -8.556 -6.256 1.00 32.31 C ATOM 214 OD1 ASN A 16 -20.732 -8.868 -5.071 1.00 41.14 O ATOM 215 ND2 ASN A 16 -21.819 -9.045 -7.029 1.00 31.34 N ATOM 0 H ASN A 16 -17.577 -7.080 -7.626 1.00 12.51 H new ATOM 0 HA ASN A 16 -19.391 -9.213 -8.209 1.00 51.55 H new ATOM 0 HB2 ASN A 16 -19.094 -7.343 -6.211 1.00 44.22 H new ATOM 0 HB3 ASN A 16 -20.422 -6.646 -7.118 1.00 44.22 H new ATOM 0 HD21 ASN A 16 -22.494 -9.707 -6.646 1.00 31.34 H new ATOM 0 HD22 ASN A 16 -21.884 -8.758 -8.006 1.00 31.34 H new ATOM 222 N GLU A 17 -19.421 -6.668 -10.140 1.00 11.01 N ATOM 223 CA GLU A 17 -20.040 -6.060 -11.312 1.00 63.43 C ATOM 224 C GLU A 17 -19.912 -6.973 -12.529 1.00 15.21 C ATOM 225 O GLU A 17 -20.855 -7.122 -13.308 1.00 65.33 O ATOM 226 CB GLU A 17 -19.398 -4.703 -11.609 1.00 72.44 C ATOM 227 CG GLU A 17 -19.023 -3.921 -10.362 1.00 31.31 C ATOM 228 CD GLU A 17 -20.227 -3.573 -9.508 1.00 43.51 C ATOM 229 OE1 GLU A 17 -20.722 -4.466 -8.789 1.00 51.42 O ATOM 230 OE2 GLU A 17 -20.673 -2.408 -9.559 1.00 12.42 O ATOM 0 H GLU A 17 -18.475 -6.342 -9.945 1.00 11.01 H new ATOM 0 HA GLU A 17 -21.099 -5.914 -11.098 1.00 63.43 H new ATOM 0 HB2 GLU A 17 -18.504 -4.858 -12.213 1.00 72.44 H new ATOM 0 HB3 GLU A 17 -20.088 -4.108 -12.207 1.00 72.44 H new ATOM 0 HG2 GLU A 17 -18.319 -4.505 -9.770 1.00 31.31 H new ATOM 0 HG3 GLU A 17 -18.511 -3.004 -10.653 1.00 31.31 H new ATOM 237 N LEU A 18 -18.741 -7.580 -12.686 1.00 34.05 N ATOM 238 CA LEU A 18 -18.489 -8.478 -13.807 1.00 51.13 C ATOM 239 C LEU A 18 -18.967 -9.892 -13.491 1.00 44.43 C ATOM 240 O LEU A 18 -19.172 -10.705 -14.392 1.00 60.42 O ATOM 241 CB LEU A 18 -16.998 -8.495 -14.147 1.00 3.01 C ATOM 242 CG LEU A 18 -16.599 -9.308 -15.379 1.00 72.11 C ATOM 243 CD1 LEU A 18 -16.369 -10.764 -15.006 1.00 63.20 C ATOM 244 CD2 LEU A 18 -17.664 -9.195 -16.460 1.00 51.42 C ATOM 0 H LEU A 18 -17.951 -7.467 -12.051 1.00 34.05 H new ATOM 0 HA LEU A 18 -19.047 -8.110 -14.668 1.00 51.13 H new ATOM 0 HB2 LEU A 18 -16.667 -7.467 -14.293 1.00 3.01 H new ATOM 0 HB3 LEU A 18 -16.454 -8.886 -13.287 1.00 3.01 H new ATOM 0 HG LEU A 18 -15.666 -8.903 -15.771 1.00 72.11 H new ATOM 0 HD11 LEU A 18 -16.086 -11.327 -15.895 1.00 63.20 H new ATOM 0 HD12 LEU A 18 -15.571 -10.828 -14.266 1.00 63.20 H new ATOM 0 HD13 LEU A 18 -17.285 -11.182 -14.588 1.00 63.20 H new ATOM 0 HD21 LEU A 18 -17.363 -9.780 -17.329 1.00 51.42 H new ATOM 0 HD22 LEU A 18 -18.612 -9.574 -16.078 1.00 51.42 H new ATOM 0 HD23 LEU A 18 -17.781 -8.150 -16.748 1.00 51.42 H new ATOM 256 N LYS A 19 -19.144 -10.177 -12.206 1.00 24.22 N ATOM 257 CA LYS A 19 -19.601 -11.491 -11.769 1.00 64.34 C ATOM 258 C LYS A 19 -21.110 -11.627 -11.942 1.00 30.32 C ATOM 259 O LYS A 19 -21.640 -12.737 -11.993 1.00 75.42 O ATOM 260 CB LYS A 19 -19.221 -11.726 -10.306 1.00 4.14 C ATOM 261 CG LYS A 19 -19.375 -13.170 -9.861 1.00 52.00 C ATOM 262 CD LYS A 19 -20.456 -13.315 -8.803 1.00 23.04 C ATOM 263 CE LYS A 19 -20.087 -14.370 -7.770 1.00 41.44 C ATOM 264 NZ LYS A 19 -19.897 -15.710 -8.391 1.00 30.14 N ATOM 0 H LYS A 19 -18.978 -9.515 -11.448 1.00 24.22 H new ATOM 0 HA LYS A 19 -19.113 -12.243 -12.389 1.00 64.34 H new ATOM 0 HB2 LYS A 19 -18.187 -11.416 -10.154 1.00 4.14 H new ATOM 0 HB3 LYS A 19 -19.840 -11.091 -9.672 1.00 4.14 H new ATOM 0 HG2 LYS A 19 -19.621 -13.793 -10.721 1.00 52.00 H new ATOM 0 HG3 LYS A 19 -18.426 -13.533 -9.465 1.00 52.00 H new ATOM 0 HD2 LYS A 19 -20.612 -12.357 -8.307 1.00 23.04 H new ATOM 0 HD3 LYS A 19 -21.399 -13.584 -9.279 1.00 23.04 H new ATOM 0 HE2 LYS A 19 -19.171 -14.073 -7.259 1.00 41.44 H new ATOM 0 HE3 LYS A 19 -20.870 -14.428 -7.014 1.00 41.44 H new ATOM 0 HZ1 LYS A 19 -19.747 -16.420 -7.646 1.00 30.14 H new ATOM 0 HZ2 LYS A 19 -20.742 -15.960 -8.943 1.00 30.14 H new ATOM 0 HZ3 LYS A 19 -19.068 -15.687 -9.019 1.00 30.14 H new ATOM 278 N ILE A 20 -21.795 -10.493 -12.032 1.00 13.40 N ATOM 279 CA ILE A 20 -23.243 -10.486 -12.201 1.00 70.44 C ATOM 280 C ILE A 20 -23.624 -10.440 -13.677 1.00 65.54 C ATOM 281 O ILE A 20 -24.648 -10.990 -14.082 1.00 15.50 O ATOM 282 CB ILE A 20 -23.889 -9.290 -11.479 1.00 13.23 C ATOM 283 CG1 ILE A 20 -23.273 -7.977 -11.967 1.00 63.42 C ATOM 284 CG2 ILE A 20 -23.726 -9.430 -9.973 1.00 13.34 C ATOM 285 CD1 ILE A 20 -23.939 -6.746 -11.394 1.00 20.44 C ATOM 0 H ILE A 20 -21.371 -9.566 -11.991 1.00 13.40 H new ATOM 0 HA ILE A 20 -23.616 -11.410 -11.760 1.00 70.44 H new ATOM 0 HB ILE A 20 -24.954 -9.277 -11.710 1.00 13.23 H new ATOM 0 HG12 ILE A 20 -22.215 -7.962 -11.705 1.00 63.42 H new ATOM 0 HG13 ILE A 20 -23.333 -7.939 -13.055 1.00 63.42 H new ATOM 0 HG21 ILE A 20 -24.188 -8.577 -9.476 1.00 13.34 H new ATOM 0 HG22 ILE A 20 -24.208 -10.349 -9.639 1.00 13.34 H new ATOM 0 HG23 ILE A 20 -22.666 -9.465 -9.723 1.00 13.34 H new ATOM 0 HD11 ILE A 20 -23.450 -5.853 -11.784 1.00 20.44 H new ATOM 0 HD12 ILE A 20 -24.991 -6.737 -11.677 1.00 20.44 H new ATOM 0 HD13 ILE A 20 -23.856 -6.760 -10.307 1.00 20.44 H new ATOM 297 N ARG A 21 -22.790 -9.783 -14.477 1.00 72.54 N ATOM 298 CA ARG A 21 -23.039 -9.666 -15.909 1.00 62.42 C ATOM 299 C ARG A 21 -22.337 -10.784 -16.676 1.00 13.30 C ATOM 300 O ARG A 21 -22.897 -11.356 -17.611 1.00 71.50 O ATOM 301 CB ARG A 21 -22.563 -8.306 -16.421 1.00 55.54 C ATOM 302 CG ARG A 21 -23.599 -7.575 -17.260 1.00 52.30 C ATOM 303 CD ARG A 21 -24.784 -7.128 -16.418 1.00 21.34 C ATOM 304 NE ARG A 21 -25.893 -8.076 -16.488 1.00 13.54 N ATOM 305 CZ ARG A 21 -27.044 -7.908 -15.846 1.00 73.00 C ATOM 306 NH1 ARG A 21 -27.236 -6.835 -15.091 1.00 31.32 N ATOM 307 NH2 ARG A 21 -28.007 -8.815 -15.960 1.00 4.54 N ATOM 0 H ARG A 21 -21.937 -9.324 -14.158 1.00 72.54 H new ATOM 0 HA ARG A 21 -24.113 -9.754 -16.074 1.00 62.42 H new ATOM 0 HB2 ARG A 21 -22.291 -7.682 -15.570 1.00 55.54 H new ATOM 0 HB3 ARG A 21 -21.660 -8.447 -17.015 1.00 55.54 H new ATOM 0 HG2 ARG A 21 -23.139 -6.707 -17.733 1.00 52.30 H new ATOM 0 HG3 ARG A 21 -23.946 -8.228 -18.061 1.00 52.30 H new ATOM 0 HD2 ARG A 21 -24.469 -7.014 -15.381 1.00 21.34 H new ATOM 0 HD3 ARG A 21 -25.122 -6.149 -16.758 1.00 21.34 H new ATOM 0 HE ARG A 21 -25.778 -8.912 -17.061 1.00 13.54 H new ATOM 0 HH11 ARG A 21 -26.499 -6.136 -15.002 1.00 31.32 H new ATOM 0 HH12 ARG A 21 -28.121 -6.709 -14.599 1.00 31.32 H new ATOM 0 HH21 ARG A 21 -27.863 -9.641 -16.541 1.00 4.54 H new ATOM 0 HH22 ARG A 21 -28.890 -8.686 -15.467 1.00 4.54 H new ATOM 321 N LYS A 22 -21.108 -11.089 -16.274 1.00 50.52 N ATOM 322 CA LYS A 22 -20.329 -12.137 -16.922 1.00 21.24 C ATOM 323 C LYS A 22 -20.252 -11.907 -18.428 1.00 12.04 C ATOM 324 O LYS A 22 -19.928 -12.818 -19.190 1.00 43.11 O ATOM 325 CB LYS A 22 -20.944 -13.509 -16.635 1.00 55.24 C ATOM 326 CG LYS A 22 -20.580 -14.066 -15.271 1.00 24.44 C ATOM 327 CD LYS A 22 -21.645 -15.018 -14.754 1.00 34.21 C ATOM 328 CE LYS A 22 -21.187 -15.737 -13.494 1.00 72.55 C ATOM 329 NZ LYS A 22 -22.241 -16.643 -12.958 1.00 51.51 N ATOM 0 H LYS A 22 -20.630 -10.625 -15.502 1.00 50.52 H new ATOM 0 HA LYS A 22 -19.318 -12.107 -16.516 1.00 21.24 H new ATOM 0 HB2 LYS A 22 -22.029 -13.434 -16.710 1.00 55.24 H new ATOM 0 HB3 LYS A 22 -20.619 -14.211 -17.403 1.00 55.24 H new ATOM 0 HG2 LYS A 22 -19.625 -14.587 -15.333 1.00 24.44 H new ATOM 0 HG3 LYS A 22 -20.451 -13.246 -14.565 1.00 24.44 H new ATOM 0 HD2 LYS A 22 -22.560 -14.463 -14.545 1.00 34.21 H new ATOM 0 HD3 LYS A 22 -21.885 -15.750 -15.525 1.00 34.21 H new ATOM 0 HE2 LYS A 22 -20.288 -16.314 -13.712 1.00 72.55 H new ATOM 0 HE3 LYS A 22 -20.918 -15.003 -12.734 1.00 72.55 H new ATOM 0 HZ1 LYS A 22 -21.890 -17.114 -12.100 1.00 51.51 H new ATOM 0 HZ2 LYS A 22 -23.090 -16.089 -12.726 1.00 51.51 H new ATOM 0 HZ3 LYS A 22 -22.480 -17.359 -13.673 1.00 51.51 H new ATOM 343 N THR A 23 -20.551 -10.683 -18.851 1.00 15.44 N ATOM 344 CA THR A 23 -20.516 -10.333 -20.265 1.00 0.31 C ATOM 345 C THR A 23 -19.453 -9.276 -20.543 1.00 71.14 C ATOM 346 O THR A 23 -18.640 -9.424 -21.456 1.00 73.11 O ATOM 347 CB THR A 23 -21.882 -9.811 -20.749 1.00 1.41 C ATOM 348 OG1 THR A 23 -22.623 -9.279 -19.645 1.00 24.35 O ATOM 349 CG2 THR A 23 -22.681 -10.921 -21.415 1.00 2.14 C ATOM 0 H THR A 23 -20.820 -9.917 -18.234 1.00 15.44 H new ATOM 0 HA THR A 23 -20.270 -11.244 -20.810 1.00 0.31 H new ATOM 0 HB THR A 23 -21.706 -9.023 -21.481 1.00 1.41 H new ATOM 0 HG1 THR A 23 -23.566 -9.532 -19.732 1.00 24.35 H new ATOM 0 HG21 THR A 23 -23.642 -10.528 -21.748 1.00 2.14 H new ATOM 0 HG22 THR A 23 -22.128 -11.303 -22.273 1.00 2.14 H new ATOM 0 HG23 THR A 23 -22.847 -11.728 -20.702 1.00 2.14 H new ATOM 357 N VAL A 24 -19.464 -8.209 -19.751 1.00 20.12 N ATOM 358 CA VAL A 24 -18.499 -7.128 -19.911 1.00 52.21 C ATOM 359 C VAL A 24 -18.908 -5.902 -19.103 1.00 15.33 C ATOM 360 O VAL A 24 -19.611 -5.022 -19.601 1.00 2.42 O ATOM 361 CB VAL A 24 -18.347 -6.726 -21.390 1.00 64.32 C ATOM 362 CG1 VAL A 24 -19.711 -6.583 -22.048 1.00 45.50 C ATOM 363 CG2 VAL A 24 -17.548 -5.437 -21.512 1.00 70.44 C ATOM 0 H VAL A 24 -20.131 -8.070 -18.992 1.00 20.12 H new ATOM 0 HA VAL A 24 -17.543 -7.500 -19.543 1.00 52.21 H new ATOM 0 HB VAL A 24 -17.802 -7.515 -21.909 1.00 64.32 H new ATOM 0 HG11 VAL A 24 -19.583 -6.299 -23.092 1.00 45.50 H new ATOM 0 HG12 VAL A 24 -20.243 -7.533 -21.993 1.00 45.50 H new ATOM 0 HG13 VAL A 24 -20.286 -5.815 -21.531 1.00 45.50 H new ATOM 0 HG21 VAL A 24 -17.450 -5.168 -22.564 1.00 70.44 H new ATOM 0 HG22 VAL A 24 -18.063 -4.638 -20.979 1.00 70.44 H new ATOM 0 HG23 VAL A 24 -16.557 -5.581 -21.081 1.00 70.44 H new ATOM 373 N LYS A 25 -18.464 -5.850 -17.852 1.00 13.45 N ATOM 374 CA LYS A 25 -18.782 -4.731 -16.972 1.00 40.43 C ATOM 375 C LYS A 25 -17.680 -3.677 -17.013 1.00 24.14 C ATOM 376 O LYS A 25 -17.894 -2.526 -16.632 1.00 32.21 O ATOM 377 CB LYS A 25 -18.979 -5.223 -15.537 1.00 31.11 C ATOM 378 CG LYS A 25 -20.056 -4.468 -14.777 1.00 44.41 C ATOM 379 CD LYS A 25 -21.378 -4.479 -15.525 1.00 13.01 C ATOM 380 CE LYS A 25 -22.548 -4.731 -14.585 1.00 64.25 C ATOM 381 NZ LYS A 25 -23.664 -3.775 -14.821 1.00 14.33 N ATOM 0 H LYS A 25 -17.882 -6.570 -17.424 1.00 13.45 H new ATOM 0 HA LYS A 25 -19.708 -4.277 -17.323 1.00 40.43 H new ATOM 0 HB2 LYS A 25 -19.235 -6.282 -15.557 1.00 31.11 H new ATOM 0 HB3 LYS A 25 -18.036 -5.133 -14.998 1.00 31.11 H new ATOM 0 HG2 LYS A 25 -20.190 -4.916 -13.793 1.00 44.41 H new ATOM 0 HG3 LYS A 25 -19.736 -3.438 -14.617 1.00 44.41 H new ATOM 0 HD2 LYS A 25 -21.517 -3.525 -16.034 1.00 13.01 H new ATOM 0 HD3 LYS A 25 -21.355 -5.250 -16.295 1.00 13.01 H new ATOM 0 HE2 LYS A 25 -22.909 -5.751 -14.719 1.00 64.25 H new ATOM 0 HE3 LYS A 25 -22.209 -4.646 -13.552 1.00 64.25 H new ATOM 0 HZ1 LYS A 25 -24.025 -3.430 -13.908 1.00 14.33 H new ATOM 0 HZ2 LYS A 25 -23.319 -2.971 -15.383 1.00 14.33 H new ATOM 0 HZ3 LYS A 25 -24.429 -4.255 -15.336 1.00 14.33 H new ATOM 395 N TRP A 26 -16.502 -4.078 -17.477 1.00 3.31 N ATOM 396 CA TRP A 26 -15.366 -3.167 -17.568 1.00 53.31 C ATOM 397 C TRP A 26 -15.298 -2.259 -16.345 1.00 45.43 C ATOM 398 O TRP A 26 -15.657 -1.083 -16.413 1.00 51.24 O ATOM 399 CB TRP A 26 -15.464 -2.323 -18.840 1.00 62.24 C ATOM 400 CG TRP A 26 -14.164 -2.207 -19.577 1.00 4.53 C ATOM 401 CD1 TRP A 26 -13.204 -1.251 -19.399 1.00 21.31 C ATOM 402 CD2 TRP A 26 -13.682 -3.074 -20.609 1.00 34.43 C ATOM 403 NE1 TRP A 26 -12.155 -1.473 -20.258 1.00 61.22 N ATOM 404 CE2 TRP A 26 -12.424 -2.586 -21.010 1.00 64.03 C ATOM 405 CE3 TRP A 26 -14.191 -4.218 -21.231 1.00 0.40 C ATOM 406 CZ2 TRP A 26 -11.670 -3.202 -22.006 1.00 42.40 C ATOM 407 CZ3 TRP A 26 -13.442 -4.827 -22.219 1.00 62.22 C ATOM 408 CH2 TRP A 26 -12.192 -4.319 -22.598 1.00 72.14 C ATOM 0 H TRP A 26 -16.308 -5.027 -17.796 1.00 3.31 H new ATOM 0 HA TRP A 26 -14.455 -3.764 -17.606 1.00 53.31 H new ATOM 0 HB2 TRP A 26 -16.211 -2.761 -19.502 1.00 62.24 H new ATOM 0 HB3 TRP A 26 -15.816 -1.325 -18.579 1.00 62.24 H new ATOM 0 HD1 TRP A 26 -13.261 -0.440 -18.688 1.00 21.31 H new ATOM 0 HE1 TRP A 26 -11.313 -0.902 -20.325 1.00 61.22 H new ATOM 0 HE3 TRP A 26 -15.152 -4.618 -20.944 1.00 0.40 H new ATOM 0 HZ2 TRP A 26 -10.707 -2.811 -22.300 1.00 42.40 H new ATOM 0 HZ3 TRP A 26 -13.826 -5.710 -22.708 1.00 62.22 H new ATOM 0 HH2 TRP A 26 -11.630 -4.819 -23.373 1.00 72.14 H new ATOM 419 N ILE A 27 -14.834 -2.810 -15.229 1.00 61.51 N ATOM 420 CA ILE A 27 -14.717 -2.048 -13.992 1.00 73.51 C ATOM 421 C ILE A 27 -13.282 -1.587 -13.764 1.00 1.01 C ATOM 422 O ILE A 27 -12.343 -2.380 -13.844 1.00 13.44 O ATOM 423 CB ILE A 27 -15.178 -2.874 -12.777 1.00 35.24 C ATOM 424 CG1 ILE A 27 -16.410 -3.707 -13.136 1.00 75.22 C ATOM 425 CG2 ILE A 27 -15.476 -1.960 -11.597 1.00 71.24 C ATOM 426 CD1 ILE A 27 -16.116 -5.182 -13.301 1.00 42.34 C ATOM 0 H ILE A 27 -14.533 -3.782 -15.156 1.00 61.51 H new ATOM 0 HA ILE A 27 -15.364 -1.177 -14.096 1.00 73.51 H new ATOM 0 HB ILE A 27 -14.374 -3.553 -12.492 1.00 35.24 H new ATOM 0 HG12 ILE A 27 -17.163 -3.580 -12.359 1.00 75.22 H new ATOM 0 HG13 ILE A 27 -16.840 -3.325 -14.062 1.00 75.22 H new ATOM 0 HG21 ILE A 27 -15.801 -2.559 -10.746 1.00 71.24 H new ATOM 0 HG22 ILE A 27 -14.576 -1.407 -11.329 1.00 71.24 H new ATOM 0 HG23 ILE A 27 -16.265 -1.259 -11.870 1.00 71.24 H new ATOM 0 HD11 ILE A 27 -17.035 -5.710 -13.555 1.00 42.34 H new ATOM 0 HD12 ILE A 27 -15.386 -5.320 -14.098 1.00 42.34 H new ATOM 0 HD13 ILE A 27 -15.715 -5.580 -12.369 1.00 42.34 H new ATOM 438 N VAL A 28 -13.119 -0.299 -13.478 1.00 25.12 N ATOM 439 CA VAL A 28 -11.798 0.268 -13.235 1.00 3.43 C ATOM 440 C VAL A 28 -11.569 0.511 -11.747 1.00 71.10 C ATOM 441 O VAL A 28 -12.161 1.415 -11.156 1.00 62.52 O ATOM 442 CB VAL A 28 -11.608 1.594 -13.995 1.00 1.51 C ATOM 443 CG1 VAL A 28 -10.133 1.960 -14.071 1.00 15.42 C ATOM 444 CG2 VAL A 28 -12.215 1.502 -15.387 1.00 31.24 C ATOM 0 H VAL A 28 -13.885 0.371 -13.409 1.00 25.12 H new ATOM 0 HA VAL A 28 -11.071 -0.458 -13.598 1.00 3.43 H new ATOM 0 HB VAL A 28 -12.126 2.383 -13.449 1.00 1.51 H new ATOM 0 HG11 VAL A 28 -10.019 2.900 -14.611 1.00 15.42 H new ATOM 0 HG12 VAL A 28 -9.733 2.070 -13.063 1.00 15.42 H new ATOM 0 HG13 VAL A 28 -9.589 1.173 -14.593 1.00 15.42 H new ATOM 0 HG21 VAL A 28 -12.072 2.448 -15.910 1.00 31.24 H new ATOM 0 HG22 VAL A 28 -11.728 0.702 -15.944 1.00 31.24 H new ATOM 0 HG23 VAL A 28 -13.281 1.290 -15.306 1.00 31.24 H new ATOM 454 N PHE A 29 -10.706 -0.302 -11.146 1.00 52.04 N ATOM 455 CA PHE A 29 -10.399 -0.176 -9.726 1.00 70.54 C ATOM 456 C PHE A 29 -8.948 0.248 -9.519 1.00 70.03 C ATOM 457 O PHE A 29 -8.078 -0.052 -10.337 1.00 71.42 O ATOM 458 CB PHE A 29 -10.662 -1.501 -9.007 1.00 14.11 C ATOM 459 CG PHE A 29 -9.764 -2.617 -9.458 1.00 31.11 C ATOM 460 CD1 PHE A 29 -10.029 -3.306 -10.630 1.00 70.53 C ATOM 461 CD2 PHE A 29 -8.655 -2.977 -8.710 1.00 3.51 C ATOM 462 CE1 PHE A 29 -9.204 -4.334 -11.047 1.00 35.40 C ATOM 463 CE2 PHE A 29 -7.826 -4.003 -9.122 1.00 32.42 C ATOM 464 CZ PHE A 29 -8.101 -4.682 -10.293 1.00 31.55 C ATOM 0 H PHE A 29 -10.207 -1.055 -11.620 1.00 52.04 H new ATOM 0 HA PHE A 29 -11.047 0.593 -9.306 1.00 70.54 H new ATOM 0 HB2 PHE A 29 -10.535 -1.354 -7.934 1.00 14.11 H new ATOM 0 HB3 PHE A 29 -11.700 -1.793 -9.168 1.00 14.11 H new ATOM 0 HD1 PHE A 29 -10.890 -3.037 -11.225 1.00 70.53 H new ATOM 0 HD2 PHE A 29 -8.436 -2.449 -7.794 1.00 3.51 H new ATOM 0 HE1 PHE A 29 -9.422 -4.865 -11.962 1.00 35.40 H new ATOM 0 HE2 PHE A 29 -6.965 -4.273 -8.529 1.00 32.42 H new ATOM 0 HZ PHE A 29 -7.454 -5.484 -10.618 1.00 31.55 H new ATOM 474 N LYS A 30 -8.694 0.949 -8.420 1.00 13.33 N ATOM 475 CA LYS A 30 -7.350 1.416 -8.102 1.00 61.23 C ATOM 476 C LYS A 30 -6.899 0.893 -6.742 1.00 74.11 C ATOM 477 O LYS A 30 -7.701 0.355 -5.977 1.00 42.22 O ATOM 478 CB LYS A 30 -7.303 2.945 -8.114 1.00 4.43 C ATOM 479 CG LYS A 30 -8.119 3.587 -7.005 1.00 40.45 C ATOM 480 CD LYS A 30 -7.558 4.944 -6.614 1.00 53.54 C ATOM 481 CE LYS A 30 -6.781 4.871 -5.309 1.00 44.23 C ATOM 482 NZ LYS A 30 -5.523 5.666 -5.368 1.00 1.53 N ATOM 0 H LYS A 30 -9.403 1.207 -7.733 1.00 13.33 H new ATOM 0 HA LYS A 30 -6.670 1.032 -8.862 1.00 61.23 H new ATOM 0 HB2 LYS A 30 -6.266 3.269 -8.025 1.00 4.43 H new ATOM 0 HB3 LYS A 30 -7.668 3.304 -9.076 1.00 4.43 H new ATOM 0 HG2 LYS A 30 -9.153 3.700 -7.331 1.00 40.45 H new ATOM 0 HG3 LYS A 30 -8.130 2.932 -6.134 1.00 40.45 H new ATOM 0 HD2 LYS A 30 -6.906 5.311 -7.407 1.00 53.54 H new ATOM 0 HD3 LYS A 30 -8.373 5.661 -6.514 1.00 53.54 H new ATOM 0 HE2 LYS A 30 -7.405 5.238 -4.494 1.00 44.23 H new ATOM 0 HE3 LYS A 30 -6.543 3.831 -5.085 1.00 44.23 H new ATOM 0 HZ1 LYS A 30 -4.814 5.242 -4.736 1.00 1.53 H new ATOM 0 HZ2 LYS A 30 -5.160 5.669 -6.343 1.00 1.53 H new ATOM 0 HZ3 LYS A 30 -5.715 6.643 -5.067 1.00 1.53 H new ATOM 496 N ILE A 31 -5.614 1.055 -6.447 1.00 12.42 N ATOM 497 CA ILE A 31 -5.059 0.602 -5.178 1.00 32.24 C ATOM 498 C ILE A 31 -4.260 1.710 -4.500 1.00 63.40 C ATOM 499 O ILE A 31 -3.193 2.097 -4.975 1.00 3.12 O ATOM 500 CB ILE A 31 -4.152 -0.628 -5.367 1.00 61.14 C ATOM 501 CG1 ILE A 31 -3.192 -0.405 -6.538 1.00 22.24 C ATOM 502 CG2 ILE A 31 -4.992 -1.876 -5.595 1.00 11.12 C ATOM 503 CD1 ILE A 31 -1.797 -0.932 -6.283 1.00 43.43 C ATOM 0 H ILE A 31 -4.938 1.497 -7.070 1.00 12.42 H new ATOM 0 HA ILE A 31 -5.903 0.327 -4.545 1.00 32.24 H new ATOM 0 HB ILE A 31 -3.564 -0.770 -4.460 1.00 61.14 H new ATOM 0 HG12 ILE A 31 -3.597 -0.888 -7.427 1.00 22.24 H new ATOM 0 HG13 ILE A 31 -3.135 0.662 -6.753 1.00 22.24 H new ATOM 0 HG21 ILE A 31 -4.336 -2.737 -5.727 1.00 11.12 H new ATOM 0 HG22 ILE A 31 -5.639 -2.041 -4.734 1.00 11.12 H new ATOM 0 HG23 ILE A 31 -5.603 -1.745 -6.488 1.00 11.12 H new ATOM 0 HD11 ILE A 31 -1.171 -0.740 -7.154 1.00 43.43 H new ATOM 0 HD12 ILE A 31 -1.372 -0.431 -5.413 1.00 43.43 H new ATOM 0 HD13 ILE A 31 -1.842 -2.005 -6.098 1.00 43.43 H new ATOM 515 N GLU A 32 -4.783 2.213 -3.387 1.00 10.53 N ATOM 516 CA GLU A 32 -4.117 3.276 -2.643 1.00 43.33 C ATOM 517 C GLU A 32 -2.984 2.715 -1.788 1.00 74.31 C ATOM 518 O GLU A 32 -2.643 1.537 -1.888 1.00 4.20 O ATOM 519 CB GLU A 32 -5.121 4.016 -1.757 1.00 40.22 C ATOM 520 CG GLU A 32 -5.037 5.529 -1.874 1.00 72.23 C ATOM 521 CD GLU A 32 -5.676 6.241 -0.698 1.00 2.32 C ATOM 522 OE1 GLU A 32 -5.182 6.071 0.437 1.00 51.32 O ATOM 523 OE2 GLU A 32 -6.668 6.968 -0.911 1.00 74.02 O ATOM 0 H GLU A 32 -5.665 1.902 -2.980 1.00 10.53 H new ATOM 0 HA GLU A 32 -3.693 3.977 -3.362 1.00 43.33 H new ATOM 0 HB2 GLU A 32 -6.129 3.695 -2.019 1.00 40.22 H new ATOM 0 HB3 GLU A 32 -4.955 3.731 -0.718 1.00 40.22 H new ATOM 0 HG2 GLU A 32 -3.991 5.826 -1.949 1.00 72.23 H new ATOM 0 HG3 GLU A 32 -5.526 5.846 -2.795 1.00 72.23 H new ATOM 530 N ASN A 33 -2.407 3.567 -0.948 1.00 4.21 N ATOM 531 CA ASN A 33 -1.312 3.157 -0.076 1.00 1.22 C ATOM 532 C ASN A 33 -1.804 2.191 0.998 1.00 53.42 C ATOM 533 O ASN A 33 -2.324 2.608 2.033 1.00 10.35 O ATOM 534 CB ASN A 33 -0.669 4.381 0.580 1.00 63.04 C ATOM 535 CG ASN A 33 -0.537 5.548 -0.380 1.00 4.13 C ATOM 536 OD1 ASN A 33 -0.903 6.678 -0.055 1.00 22.43 O ATOM 537 ND2 ASN A 33 -0.011 5.279 -1.569 1.00 52.33 N ATOM 0 H ASN A 33 -2.679 4.545 -0.852 1.00 4.21 H new ATOM 0 HA ASN A 33 -0.567 2.646 -0.686 1.00 1.22 H new ATOM 0 HB2 ASN A 33 -1.267 4.686 1.439 1.00 63.04 H new ATOM 0 HB3 ASN A 33 0.317 4.111 0.958 1.00 63.04 H new ATOM 0 HD21 ASN A 33 0.104 6.024 -2.256 1.00 52.33 H new ATOM 0 HD22 ASN A 33 0.278 4.327 -1.795 1.00 52.33 H new ATOM 544 N THR A 34 -1.637 0.897 0.744 1.00 44.22 N ATOM 545 CA THR A 34 -2.064 -0.128 1.687 1.00 63.40 C ATOM 546 C THR A 34 -3.584 -0.218 1.751 1.00 52.40 C ATOM 547 O THR A 34 -4.166 -0.318 2.831 1.00 21.35 O ATOM 548 CB THR A 34 -1.517 0.146 3.101 1.00 60.43 C ATOM 549 OG1 THR A 34 -0.154 0.578 3.024 1.00 61.45 O ATOM 550 CG2 THR A 34 -1.611 -1.100 3.968 1.00 20.43 C ATOM 0 H THR A 34 -1.209 0.534 -0.108 1.00 44.22 H new ATOM 0 HA THR A 34 -1.662 -1.075 1.327 1.00 63.40 H new ATOM 0 HB THR A 34 -2.121 0.932 3.555 1.00 60.43 H new ATOM 0 HG1 THR A 34 0.186 0.752 3.927 1.00 61.45 H new ATOM 0 HG21 THR A 34 -1.219 -0.882 4.962 1.00 20.43 H new ATOM 0 HG22 THR A 34 -2.653 -1.409 4.049 1.00 20.43 H new ATOM 0 HG23 THR A 34 -1.028 -1.903 3.516 1.00 20.43 H new ATOM 558 N LYS A 35 -4.224 -0.181 0.587 1.00 42.30 N ATOM 559 CA LYS A 35 -5.678 -0.259 0.510 1.00 63.45 C ATOM 560 C LYS A 35 -6.139 -0.391 -0.938 1.00 71.14 C ATOM 561 O LYS A 35 -5.417 -0.023 -1.865 1.00 61.24 O ATOM 562 CB LYS A 35 -6.311 0.980 1.147 1.00 63.41 C ATOM 563 CG LYS A 35 -7.805 0.846 1.383 1.00 53.14 C ATOM 564 CD LYS A 35 -8.125 -0.339 2.279 1.00 42.24 C ATOM 565 CE LYS A 35 -7.402 -0.239 3.613 1.00 33.04 C ATOM 566 NZ LYS A 35 -8.169 -0.894 4.709 1.00 10.24 N ATOM 0 H LYS A 35 -3.758 -0.097 -0.317 1.00 42.30 H new ATOM 0 HA LYS A 35 -5.999 -1.145 1.058 1.00 63.45 H new ATOM 0 HB2 LYS A 35 -5.818 1.181 2.098 1.00 63.41 H new ATOM 0 HB3 LYS A 35 -6.129 1.842 0.505 1.00 63.41 H new ATOM 0 HG2 LYS A 35 -8.186 1.760 1.838 1.00 53.14 H new ATOM 0 HG3 LYS A 35 -8.316 0.729 0.427 1.00 53.14 H new ATOM 0 HD2 LYS A 35 -9.200 -0.388 2.449 1.00 42.24 H new ATOM 0 HD3 LYS A 35 -7.839 -1.264 1.777 1.00 42.24 H new ATOM 0 HE2 LYS A 35 -6.419 -0.703 3.529 1.00 33.04 H new ATOM 0 HE3 LYS A 35 -7.239 0.810 3.860 1.00 33.04 H new ATOM 0 HZ1 LYS A 35 -7.643 -0.805 5.602 1.00 10.24 H new ATOM 0 HZ2 LYS A 35 -9.097 -0.435 4.806 1.00 10.24 H new ATOM 0 HZ3 LYS A 35 -8.303 -1.901 4.485 1.00 10.24 H new ATOM 580 N ILE A 36 -7.345 -0.916 -1.125 1.00 33.23 N ATOM 581 CA ILE A 36 -7.903 -1.093 -2.460 1.00 21.33 C ATOM 582 C ILE A 36 -9.281 -0.450 -2.570 1.00 33.55 C ATOM 583 O ILE A 36 -10.067 -0.474 -1.622 1.00 22.42 O ATOM 584 CB ILE A 36 -8.013 -2.584 -2.831 1.00 31.14 C ATOM 585 CG1 ILE A 36 -6.622 -3.183 -3.045 1.00 45.25 C ATOM 586 CG2 ILE A 36 -8.869 -2.758 -4.076 1.00 63.05 C ATOM 587 CD1 ILE A 36 -6.416 -4.504 -2.338 1.00 13.11 C ATOM 0 H ILE A 36 -7.955 -1.226 -0.369 1.00 33.23 H new ATOM 0 HA ILE A 36 -7.220 -0.604 -3.155 1.00 21.33 H new ATOM 0 HB ILE A 36 -8.492 -3.114 -2.008 1.00 31.14 H new ATOM 0 HG12 ILE A 36 -6.456 -3.322 -4.113 1.00 45.25 H new ATOM 0 HG13 ILE A 36 -5.872 -2.473 -2.696 1.00 45.25 H new ATOM 0 HG21 ILE A 36 -8.937 -3.817 -4.326 1.00 63.05 H new ATOM 0 HG22 ILE A 36 -9.868 -2.364 -3.889 1.00 63.05 H new ATOM 0 HG23 ILE A 36 -8.416 -2.218 -4.907 1.00 63.05 H new ATOM 0 HD11 ILE A 36 -5.408 -4.869 -2.535 1.00 13.11 H new ATOM 0 HD12 ILE A 36 -6.549 -4.367 -1.265 1.00 13.11 H new ATOM 0 HD13 ILE A 36 -7.142 -5.230 -2.704 1.00 13.11 H new ATOM 599 N VAL A 37 -9.570 0.123 -3.734 1.00 20.24 N ATOM 600 CA VAL A 37 -10.855 0.770 -3.969 1.00 71.13 C ATOM 601 C VAL A 37 -11.225 0.735 -5.448 1.00 2.31 C ATOM 602 O VAL A 37 -10.376 0.492 -6.306 1.00 0.13 O ATOM 603 CB VAL A 37 -10.843 2.233 -3.488 1.00 53.15 C ATOM 604 CG1 VAL A 37 -10.768 2.296 -1.971 1.00 13.04 C ATOM 605 CG2 VAL A 37 -9.685 2.992 -4.120 1.00 34.54 C ATOM 0 H VAL A 37 -8.931 0.152 -4.529 1.00 20.24 H new ATOM 0 HA VAL A 37 -11.599 0.214 -3.398 1.00 71.13 H new ATOM 0 HB VAL A 37 -11.773 2.708 -3.801 1.00 53.15 H new ATOM 0 HG11 VAL A 37 -10.760 3.338 -1.650 1.00 13.04 H new ATOM 0 HG12 VAL A 37 -11.633 1.791 -1.543 1.00 13.04 H new ATOM 0 HG13 VAL A 37 -9.856 1.805 -1.631 1.00 13.04 H new ATOM 0 HG21 VAL A 37 -9.692 4.024 -3.769 1.00 34.54 H new ATOM 0 HG22 VAL A 37 -8.744 2.519 -3.839 1.00 34.54 H new ATOM 0 HG23 VAL A 37 -9.789 2.977 -5.205 1.00 34.54 H new ATOM 615 N VAL A 38 -12.498 0.981 -5.740 1.00 32.32 N ATOM 616 CA VAL A 38 -12.981 0.979 -7.115 1.00 52.55 C ATOM 617 C VAL A 38 -13.245 2.398 -7.607 1.00 10.44 C ATOM 618 O VAL A 38 -13.691 3.256 -6.845 1.00 60.11 O ATOM 619 CB VAL A 38 -14.272 0.151 -7.256 1.00 61.24 C ATOM 620 CG1 VAL A 38 -15.312 0.606 -6.244 1.00 60.12 C ATOM 621 CG2 VAL A 38 -14.816 0.250 -8.674 1.00 30.15 C ATOM 0 H VAL A 38 -13.214 1.184 -5.042 1.00 32.32 H new ATOM 0 HA VAL A 38 -12.199 0.525 -7.724 1.00 52.55 H new ATOM 0 HB VAL A 38 -14.037 -0.894 -7.054 1.00 61.24 H new ATOM 0 HG11 VAL A 38 -16.217 0.009 -6.359 1.00 60.12 H new ATOM 0 HG12 VAL A 38 -14.919 0.478 -5.236 1.00 60.12 H new ATOM 0 HG13 VAL A 38 -15.547 1.657 -6.411 1.00 60.12 H new ATOM 0 HG21 VAL A 38 -15.728 -0.341 -8.756 1.00 30.15 H new ATOM 0 HG22 VAL A 38 -15.036 1.292 -8.907 1.00 30.15 H new ATOM 0 HG23 VAL A 38 -14.074 -0.130 -9.376 1.00 30.15 H new ATOM 631 N GLU A 39 -12.967 2.638 -8.884 1.00 63.03 N ATOM 632 CA GLU A 39 -13.174 3.954 -9.477 1.00 11.12 C ATOM 633 C GLU A 39 -14.408 3.958 -10.375 1.00 45.03 C ATOM 634 O GLU A 39 -15.304 4.786 -10.215 1.00 13.21 O ATOM 635 CB GLU A 39 -11.943 4.376 -10.281 1.00 25.31 C ATOM 636 CG GLU A 39 -10.668 4.434 -9.456 1.00 42.31 C ATOM 637 CD GLU A 39 -10.533 5.731 -8.681 1.00 73.23 C ATOM 638 OE1 GLU A 39 -11.573 6.287 -8.270 1.00 4.24 O ATOM 639 OE2 GLU A 39 -9.388 6.189 -8.487 1.00 23.35 O ATOM 0 H GLU A 39 -12.598 1.938 -9.528 1.00 63.03 H new ATOM 0 HA GLU A 39 -13.332 4.667 -8.668 1.00 11.12 H new ATOM 0 HB2 GLU A 39 -11.801 3.677 -11.105 1.00 25.31 H new ATOM 0 HB3 GLU A 39 -12.126 5.356 -10.722 1.00 25.31 H new ATOM 0 HG2 GLU A 39 -10.652 3.596 -8.760 1.00 42.31 H new ATOM 0 HG3 GLU A 39 -9.808 4.318 -10.115 1.00 42.31 H new ATOM 646 N LYS A 40 -14.445 3.027 -11.322 1.00 74.41 N ATOM 647 CA LYS A 40 -15.568 2.920 -12.247 1.00 4.20 C ATOM 648 C LYS A 40 -16.321 1.610 -12.040 1.00 64.14 C ATOM 649 O LYS A 40 -15.953 0.799 -11.190 1.00 11.43 O ATOM 650 CB LYS A 40 -15.074 3.015 -13.693 1.00 34.24 C ATOM 651 CG LYS A 40 -15.117 4.424 -14.259 1.00 32.51 C ATOM 652 CD LYS A 40 -14.252 5.376 -13.450 1.00 55.14 C ATOM 653 CE LYS A 40 -12.794 4.944 -13.454 1.00 11.04 C ATOM 654 NZ LYS A 40 -11.884 6.059 -13.070 1.00 55.03 N ATOM 0 H LYS A 40 -13.710 2.335 -11.470 1.00 74.41 H new ATOM 0 HA LYS A 40 -16.251 3.746 -12.048 1.00 4.20 H new ATOM 0 HB2 LYS A 40 -14.051 2.643 -13.744 1.00 34.24 H new ATOM 0 HB3 LYS A 40 -15.682 2.362 -14.319 1.00 34.24 H new ATOM 0 HG2 LYS A 40 -14.776 4.412 -15.294 1.00 32.51 H new ATOM 0 HG3 LYS A 40 -16.146 4.783 -14.266 1.00 32.51 H new ATOM 0 HD2 LYS A 40 -14.335 6.383 -13.860 1.00 55.14 H new ATOM 0 HD3 LYS A 40 -14.617 5.418 -12.424 1.00 55.14 H new ATOM 0 HE2 LYS A 40 -12.660 4.112 -12.763 1.00 11.04 H new ATOM 0 HE3 LYS A 40 -12.525 4.581 -14.446 1.00 11.04 H new ATOM 0 HZ1 LYS A 40 -11.119 5.691 -12.469 1.00 55.03 H new ATOM 0 HZ2 LYS A 40 -11.477 6.485 -13.927 1.00 55.03 H new ATOM 0 HZ3 LYS A 40 -12.420 6.780 -12.546 1.00 55.03 H new ATOM 668 N ASP A 41 -17.374 1.408 -12.824 1.00 50.41 N ATOM 669 CA ASP A 41 -18.177 0.195 -12.729 1.00 31.13 C ATOM 670 C ASP A 41 -19.477 0.341 -13.513 1.00 71.55 C ATOM 671 O ASP A 41 -19.976 1.448 -13.707 1.00 55.12 O ATOM 672 CB ASP A 41 -18.484 -0.125 -11.265 1.00 23.51 C ATOM 673 CG ASP A 41 -18.761 1.120 -10.445 1.00 64.44 C ATOM 674 OD1 ASP A 41 -19.462 2.020 -10.952 1.00 52.14 O ATOM 675 OD2 ASP A 41 -18.276 1.193 -9.297 1.00 14.21 O ATOM 0 H ASP A 41 -17.691 2.069 -13.533 1.00 50.41 H new ATOM 0 HA ASP A 41 -17.604 -0.625 -13.160 1.00 31.13 H new ATOM 0 HB2 ASP A 41 -19.347 -0.789 -11.215 1.00 23.51 H new ATOM 0 HB3 ASP A 41 -17.642 -0.663 -10.830 1.00 23.51 H new ATOM 680 N GLY A 42 -20.020 -0.787 -13.964 1.00 50.52 N ATOM 681 CA GLY A 42 -21.256 -0.762 -14.724 1.00 33.41 C ATOM 682 C GLY A 42 -21.020 -0.575 -16.209 1.00 53.34 C ATOM 683 O GLY A 42 -21.449 0.421 -16.793 1.00 42.12 O ATOM 0 H GLY A 42 -19.626 -1.716 -13.816 1.00 50.52 H new ATOM 0 HA2 GLY A 42 -21.799 -1.693 -14.560 1.00 33.41 H new ATOM 0 HA3 GLY A 42 -21.889 0.045 -14.355 1.00 33.41 H new ATOM 687 N LYS A 43 -20.335 -1.533 -16.824 1.00 32.12 N ATOM 688 CA LYS A 43 -20.042 -1.470 -18.251 1.00 4.04 C ATOM 689 C LYS A 43 -19.238 -0.218 -18.586 1.00 0.41 C ATOM 690 O LYS A 43 -19.073 0.668 -17.748 1.00 42.35 O ATOM 691 CB LYS A 43 -21.340 -1.488 -19.061 1.00 1.33 C ATOM 692 CG LYS A 43 -21.329 -2.486 -20.205 1.00 72.40 C ATOM 693 CD LYS A 43 -22.433 -3.520 -20.053 1.00 43.05 C ATOM 694 CE LYS A 43 -22.283 -4.310 -18.762 1.00 53.51 C ATOM 695 NZ LYS A 43 -23.494 -4.200 -17.902 1.00 21.02 N ATOM 0 H LYS A 43 -19.972 -2.363 -16.356 1.00 32.12 H new ATOM 0 HA LYS A 43 -19.446 -2.344 -18.513 1.00 4.04 H new ATOM 0 HB2 LYS A 43 -22.171 -1.721 -18.395 1.00 1.33 H new ATOM 0 HB3 LYS A 43 -21.522 -0.491 -19.462 1.00 1.33 H new ATOM 0 HG2 LYS A 43 -21.451 -1.958 -21.151 1.00 72.40 H new ATOM 0 HG3 LYS A 43 -20.362 -2.988 -20.242 1.00 72.40 H new ATOM 0 HD2 LYS A 43 -23.403 -3.023 -20.066 1.00 43.05 H new ATOM 0 HD3 LYS A 43 -22.413 -4.202 -20.903 1.00 43.05 H new ATOM 0 HE2 LYS A 43 -22.098 -5.358 -18.997 1.00 53.51 H new ATOM 0 HE3 LYS A 43 -21.414 -3.948 -18.213 1.00 53.51 H new ATOM 0 HZ1 LYS A 43 -23.418 -4.868 -17.109 1.00 21.02 H new ATOM 0 HZ2 LYS A 43 -23.570 -3.231 -17.532 1.00 21.02 H new ATOM 0 HZ3 LYS A 43 -24.340 -4.424 -18.464 1.00 21.02 H new ATOM 709 N GLY A 44 -18.741 -0.151 -19.817 1.00 51.44 N ATOM 710 CA GLY A 44 -17.962 0.998 -20.242 1.00 11.05 C ATOM 711 C GLY A 44 -17.037 0.676 -21.398 1.00 24.10 C ATOM 712 O GLY A 44 -16.697 1.552 -22.192 1.00 25.11 O ATOM 0 H GLY A 44 -18.864 -0.872 -20.528 1.00 51.44 H new ATOM 0 HA2 GLY A 44 -18.637 1.803 -20.534 1.00 11.05 H new ATOM 0 HA3 GLY A 44 -17.373 1.365 -19.401 1.00 11.05 H new ATOM 716 N ASN A 45 -16.627 -0.585 -21.492 1.00 43.13 N ATOM 717 CA ASN A 45 -15.733 -1.020 -22.559 1.00 64.12 C ATOM 718 C ASN A 45 -14.366 -0.354 -22.430 1.00 13.35 C ATOM 719 O ASN A 45 -14.143 0.457 -21.531 1.00 44.34 O ATOM 720 CB ASN A 45 -16.341 -0.699 -23.926 1.00 33.23 C ATOM 721 CG ASN A 45 -16.626 -1.947 -24.739 1.00 64.04 C ATOM 722 OD1 ASN A 45 -15.926 -2.243 -25.708 1.00 41.52 O ATOM 723 ND2 ASN A 45 -17.657 -2.686 -24.348 1.00 53.11 N ATOM 0 H ASN A 45 -16.899 -1.323 -20.843 1.00 43.13 H new ATOM 0 HA ASN A 45 -15.602 -2.099 -22.471 1.00 64.12 H new ATOM 0 HB2 ASN A 45 -17.266 -0.140 -23.787 1.00 33.23 H new ATOM 0 HB3 ASN A 45 -15.660 -0.054 -24.481 1.00 33.23 H new ATOM 0 HD21 ASN A 45 -17.896 -3.537 -24.857 1.00 53.11 H new ATOM 0 HD22 ASN A 45 -18.210 -2.403 -23.539 1.00 53.11 H new ATOM 730 N ALA A 46 -13.456 -0.702 -23.333 1.00 52.23 N ATOM 731 CA ALA A 46 -12.113 -0.136 -23.322 1.00 1.11 C ATOM 732 C ALA A 46 -12.143 1.355 -23.640 1.00 43.21 C ATOM 733 O ALA A 46 -11.151 2.060 -23.450 1.00 53.03 O ATOM 734 CB ALA A 46 -11.222 -0.871 -24.312 1.00 71.13 C ATOM 0 H ALA A 46 -13.624 -1.374 -24.082 1.00 52.23 H new ATOM 0 HA ALA A 46 -11.702 -0.259 -22.320 1.00 1.11 H new ATOM 0 HB1 ALA A 46 -10.222 -0.438 -24.293 1.00 71.13 H new ATOM 0 HB2 ALA A 46 -11.166 -1.925 -24.038 1.00 71.13 H new ATOM 0 HB3 ALA A 46 -11.639 -0.778 -25.315 1.00 71.13 H new ATOM 740 N ASP A 47 -13.285 1.829 -24.125 1.00 50.11 N ATOM 741 CA ASP A 47 -13.444 3.237 -24.469 1.00 42.24 C ATOM 742 C ASP A 47 -13.657 4.082 -23.217 1.00 44.23 C ATOM 743 O ASP A 47 -13.300 5.259 -23.184 1.00 1.30 O ATOM 744 CB ASP A 47 -14.621 3.420 -25.429 1.00 44.02 C ATOM 745 CG ASP A 47 -14.205 4.061 -26.739 1.00 33.21 C ATOM 746 OD1 ASP A 47 -13.998 5.292 -26.757 1.00 74.02 O ATOM 747 OD2 ASP A 47 -14.088 3.331 -27.746 1.00 10.11 O ATOM 0 H ASP A 47 -14.115 1.259 -24.289 1.00 50.11 H new ATOM 0 HA ASP A 47 -12.530 3.571 -24.960 1.00 42.24 H new ATOM 0 HB2 ASP A 47 -15.076 2.450 -25.631 1.00 44.02 H new ATOM 0 HB3 ASP A 47 -15.383 4.036 -24.952 1.00 44.02 H new ATOM 752 N GLU A 48 -14.241 3.473 -22.190 1.00 71.25 N ATOM 753 CA GLU A 48 -14.503 4.171 -20.937 1.00 61.42 C ATOM 754 C GLU A 48 -13.265 4.170 -20.045 1.00 21.51 C ATOM 755 O GLU A 48 -12.822 5.219 -19.578 1.00 22.14 O ATOM 756 CB GLU A 48 -15.676 3.520 -20.201 1.00 52.41 C ATOM 757 CG GLU A 48 -17.035 4.030 -20.652 1.00 21.42 C ATOM 758 CD GLU A 48 -17.155 5.538 -20.554 1.00 5.00 C ATOM 759 OE1 GLU A 48 -17.011 6.074 -19.435 1.00 73.23 O ATOM 760 OE2 GLU A 48 -17.391 6.183 -21.597 1.00 72.43 O ATOM 0 H GLU A 48 -14.542 2.498 -22.201 1.00 71.25 H new ATOM 0 HA GLU A 48 -14.759 5.204 -21.172 1.00 61.42 H new ATOM 0 HB2 GLU A 48 -15.634 2.441 -20.350 1.00 52.41 H new ATOM 0 HB3 GLU A 48 -15.567 3.698 -19.131 1.00 52.41 H new ATOM 0 HG2 GLU A 48 -17.211 3.722 -21.683 1.00 21.42 H new ATOM 0 HG3 GLU A 48 -17.812 3.567 -20.044 1.00 21.42 H new ATOM 767 N PHE A 49 -12.712 2.984 -19.812 1.00 64.14 N ATOM 768 CA PHE A 49 -11.526 2.845 -18.975 1.00 62.31 C ATOM 769 C PHE A 49 -10.370 3.675 -19.526 1.00 54.21 C ATOM 770 O PHE A 49 -9.713 4.410 -18.789 1.00 14.42 O ATOM 771 CB PHE A 49 -11.112 1.375 -18.880 1.00 72.43 C ATOM 772 CG PHE A 49 -9.756 1.172 -18.267 1.00 33.32 C ATOM 773 CD1 PHE A 49 -9.363 1.912 -17.164 1.00 24.24 C ATOM 774 CD2 PHE A 49 -8.875 0.241 -18.794 1.00 11.31 C ATOM 775 CE1 PHE A 49 -8.116 1.727 -16.596 1.00 44.35 C ATOM 776 CE2 PHE A 49 -7.627 0.052 -18.231 1.00 12.23 C ATOM 777 CZ PHE A 49 -7.246 0.797 -17.132 1.00 35.15 C ATOM 0 H PHE A 49 -13.066 2.106 -20.191 1.00 64.14 H new ATOM 0 HA PHE A 49 -11.771 3.212 -17.978 1.00 62.31 H new ATOM 0 HB2 PHE A 49 -11.853 0.835 -18.291 1.00 72.43 H new ATOM 0 HB3 PHE A 49 -11.119 0.939 -19.879 1.00 72.43 H new ATOM 0 HD1 PHE A 49 -10.038 2.642 -16.743 1.00 24.24 H new ATOM 0 HD2 PHE A 49 -9.167 -0.343 -19.654 1.00 11.31 H new ATOM 0 HE1 PHE A 49 -7.822 2.309 -15.735 1.00 44.35 H new ATOM 0 HE2 PHE A 49 -6.950 -0.678 -18.650 1.00 12.23 H new ATOM 0 HZ PHE A 49 -6.270 0.653 -16.693 1.00 35.15 H new ATOM 787 N ARG A 50 -10.128 3.552 -20.827 1.00 74.40 N ATOM 788 CA ARG A 50 -9.052 4.289 -21.477 1.00 63.23 C ATOM 789 C ARG A 50 -9.410 5.765 -21.616 1.00 54.42 C ATOM 790 O ARG A 50 -8.549 6.601 -21.887 1.00 12.21 O ATOM 791 CB ARG A 50 -8.756 3.693 -22.855 1.00 35.10 C ATOM 792 CG ARG A 50 -9.513 4.370 -23.986 1.00 73.41 C ATOM 793 CD ARG A 50 -9.280 3.664 -25.313 1.00 10.02 C ATOM 794 NE ARG A 50 -8.952 4.603 -26.382 1.00 5.21 N ATOM 795 CZ ARG A 50 -9.816 5.479 -26.882 1.00 70.23 C ATOM 796 NH1 ARG A 50 -11.055 5.535 -26.412 1.00 45.33 N ATOM 797 NH2 ARG A 50 -9.442 6.301 -27.854 1.00 71.25 N ATOM 0 H ARG A 50 -10.663 2.949 -21.452 1.00 74.40 H new ATOM 0 HA ARG A 50 -8.162 4.206 -20.854 1.00 63.23 H new ATOM 0 HB2 ARG A 50 -7.686 3.765 -23.051 1.00 35.10 H new ATOM 0 HB3 ARG A 50 -9.007 2.632 -22.845 1.00 35.10 H new ATOM 0 HG2 ARG A 50 -10.579 4.377 -23.759 1.00 73.41 H new ATOM 0 HG3 ARG A 50 -9.197 5.410 -24.065 1.00 73.41 H new ATOM 0 HD2 ARG A 50 -8.470 2.943 -25.203 1.00 10.02 H new ATOM 0 HD3 ARG A 50 -10.173 3.101 -25.586 1.00 10.02 H new ATOM 0 HE ARG A 50 -8.007 4.585 -26.766 1.00 5.21 H new ATOM 0 HH11 ARG A 50 -11.346 4.904 -25.665 1.00 45.33 H new ATOM 0 HH12 ARG A 50 -11.717 6.209 -26.798 1.00 45.33 H new ATOM 0 HH21 ARG A 50 -8.490 6.261 -28.218 1.00 71.25 H new ATOM 0 HH22 ARG A 50 -10.106 6.973 -28.237 1.00 71.25 H new ATOM 811 N GLY A 51 -10.689 6.079 -21.429 1.00 70.12 N ATOM 812 CA GLY A 51 -11.139 7.454 -21.538 1.00 53.24 C ATOM 813 C GLY A 51 -11.590 8.024 -20.208 1.00 72.11 C ATOM 814 O GLY A 51 -12.230 9.074 -20.160 1.00 0.01 O ATOM 0 H GLY A 51 -11.421 5.405 -21.204 1.00 70.12 H new ATOM 0 HA2 GLY A 51 -10.331 8.067 -21.937 1.00 53.24 H new ATOM 0 HA3 GLY A 51 -11.962 7.508 -22.251 1.00 53.24 H new ATOM 818 N ALA A 52 -11.258 7.329 -19.125 1.00 64.02 N ATOM 819 CA ALA A 52 -11.632 7.772 -17.788 1.00 53.22 C ATOM 820 C ALA A 52 -10.409 7.891 -16.886 1.00 64.11 C ATOM 821 O ALA A 52 -10.275 8.852 -16.127 1.00 20.42 O ATOM 822 CB ALA A 52 -12.648 6.816 -17.180 1.00 63.13 C ATOM 0 H ALA A 52 -10.730 6.456 -19.148 1.00 64.02 H new ATOM 0 HA ALA A 52 -12.085 8.760 -17.873 1.00 53.22 H new ATOM 0 HB1 ALA A 52 -12.918 7.159 -16.181 1.00 63.13 H new ATOM 0 HB2 ALA A 52 -13.539 6.785 -17.807 1.00 63.13 H new ATOM 0 HB3 ALA A 52 -12.215 5.818 -17.116 1.00 63.13 H new ATOM 828 N LEU A 53 -9.518 6.909 -16.973 1.00 41.22 N ATOM 829 CA LEU A 53 -8.304 6.903 -16.164 1.00 12.22 C ATOM 830 C LEU A 53 -7.578 8.241 -16.261 1.00 51.02 C ATOM 831 O LEU A 53 -7.571 8.897 -17.303 1.00 64.33 O ATOM 832 CB LEU A 53 -7.376 5.772 -16.610 1.00 2.32 C ATOM 833 CG LEU A 53 -6.442 6.092 -17.778 1.00 22.24 C ATOM 834 CD1 LEU A 53 -5.490 4.933 -18.032 1.00 51.33 C ATOM 835 CD2 LEU A 53 -7.244 6.410 -19.031 1.00 15.44 C ATOM 0 H LEU A 53 -9.614 6.107 -17.596 1.00 41.22 H new ATOM 0 HA LEU A 53 -8.590 6.741 -15.125 1.00 12.22 H new ATOM 0 HB2 LEU A 53 -6.768 5.470 -15.757 1.00 2.32 H new ATOM 0 HB3 LEU A 53 -7.989 4.913 -16.885 1.00 2.32 H new ATOM 0 HG LEU A 53 -5.852 6.970 -17.516 1.00 22.24 H new ATOM 0 HD11 LEU A 53 -4.833 5.178 -18.866 1.00 51.33 H new ATOM 0 HD12 LEU A 53 -4.891 4.752 -17.139 1.00 51.33 H new ATOM 0 HD13 LEU A 53 -6.063 4.037 -18.272 1.00 51.33 H new ATOM 0 HD21 LEU A 53 -6.563 6.635 -19.852 1.00 15.44 H new ATOM 0 HD22 LEU A 53 -7.860 5.551 -19.296 1.00 15.44 H new ATOM 0 HD23 LEU A 53 -7.884 7.272 -18.844 1.00 15.44 H new ATOM 847 N PRO A 54 -6.950 8.656 -15.151 1.00 14.21 N ATOM 848 CA PRO A 54 -6.207 9.918 -15.087 1.00 11.03 C ATOM 849 C PRO A 54 -4.927 9.879 -15.914 1.00 3.31 C ATOM 850 O PRO A 54 -4.387 8.808 -16.190 1.00 11.31 O ATOM 851 CB PRO A 54 -5.878 10.061 -13.599 1.00 32.45 C ATOM 852 CG PRO A 54 -5.880 8.666 -13.075 1.00 33.12 C ATOM 853 CD PRO A 54 -6.918 7.925 -13.873 1.00 3.51 C ATOM 0 HA PRO A 54 -6.782 10.751 -15.492 1.00 11.03 H new ATOM 0 HB2 PRO A 54 -4.909 10.538 -13.452 1.00 32.45 H new ATOM 0 HB3 PRO A 54 -6.617 10.677 -13.087 1.00 32.45 H new ATOM 0 HG2 PRO A 54 -4.899 8.205 -13.188 1.00 33.12 H new ATOM 0 HG3 PRO A 54 -6.120 8.649 -12.012 1.00 33.12 H new ATOM 0 HD2 PRO A 54 -6.645 6.879 -14.015 1.00 3.51 H new ATOM 0 HD3 PRO A 54 -7.889 7.937 -13.379 1.00 3.51 H new ATOM 861 N ALA A 55 -4.445 11.054 -16.306 1.00 54.33 N ATOM 862 CA ALA A 55 -3.227 11.154 -17.100 1.00 2.22 C ATOM 863 C ALA A 55 -1.988 11.095 -16.213 1.00 2.21 C ATOM 864 O ALA A 55 -0.881 10.852 -16.692 1.00 32.50 O ATOM 865 CB ALA A 55 -3.233 12.438 -17.917 1.00 22.31 C ATOM 0 H ALA A 55 -4.880 11.950 -16.086 1.00 54.33 H new ATOM 0 HA ALA A 55 -3.196 10.304 -17.781 1.00 2.22 H new ATOM 0 HB1 ALA A 55 -2.317 12.499 -18.505 1.00 22.31 H new ATOM 0 HB2 ALA A 55 -4.094 12.440 -18.585 1.00 22.31 H new ATOM 0 HB3 ALA A 55 -3.292 13.296 -17.247 1.00 22.31 H new ATOM 871 N ASN A 56 -2.182 11.321 -14.918 1.00 23.35 N ATOM 872 CA ASN A 56 -1.079 11.294 -13.964 1.00 3.43 C ATOM 873 C ASN A 56 -1.240 10.142 -12.977 1.00 71.32 C ATOM 874 O ASN A 56 -0.939 10.279 -11.791 1.00 54.34 O ATOM 875 CB ASN A 56 -1.000 12.621 -13.206 1.00 53.42 C ATOM 876 CG ASN A 56 -0.913 13.815 -14.138 1.00 74.30 C ATOM 877 OD1 ASN A 56 -0.452 13.698 -15.273 1.00 65.42 O ATOM 878 ND2 ASN A 56 -1.358 14.971 -13.661 1.00 12.41 N ATOM 0 H ASN A 56 -3.092 11.525 -14.505 1.00 23.35 H new ATOM 0 HA ASN A 56 -0.154 11.145 -14.521 1.00 3.43 H new ATOM 0 HB2 ASN A 56 -1.878 12.725 -12.568 1.00 53.42 H new ATOM 0 HB3 ASN A 56 -0.129 12.611 -12.551 1.00 53.42 H new ATOM 0 HD21 ASN A 56 -1.326 15.809 -14.242 1.00 12.41 H new ATOM 0 HD22 ASN A 56 -1.732 15.022 -12.713 1.00 12.41 H new ATOM 885 N ASP A 57 -1.716 9.006 -13.476 1.00 2.02 N ATOM 886 CA ASP A 57 -1.916 7.828 -12.639 1.00 43.34 C ATOM 887 C ASP A 57 -2.370 6.637 -13.477 1.00 53.45 C ATOM 888 O ASP A 57 -2.675 6.780 -14.662 1.00 71.22 O ATOM 889 CB ASP A 57 -2.945 8.121 -11.547 1.00 0.24 C ATOM 890 CG ASP A 57 -2.379 7.932 -10.153 1.00 12.42 C ATOM 891 OD1 ASP A 57 -2.298 6.772 -9.697 1.00 41.22 O ATOM 892 OD2 ASP A 57 -2.017 8.945 -9.518 1.00 21.41 O ATOM 0 H ASP A 57 -1.970 8.876 -14.455 1.00 2.02 H new ATOM 0 HA ASP A 57 -0.963 7.578 -12.172 1.00 43.34 H new ATOM 0 HB2 ASP A 57 -3.304 9.145 -11.655 1.00 0.24 H new ATOM 0 HB3 ASP A 57 -3.806 7.466 -11.678 1.00 0.24 H new ATOM 897 N CYS A 58 -2.412 5.465 -12.855 1.00 71.54 N ATOM 898 CA CYS A 58 -2.828 4.248 -13.545 1.00 24.14 C ATOM 899 C CYS A 58 -3.896 3.508 -12.746 1.00 1.42 C ATOM 900 O CYS A 58 -4.076 3.756 -11.554 1.00 14.45 O ATOM 901 CB CYS A 58 -1.624 3.333 -13.779 1.00 14.51 C ATOM 902 SG CYS A 58 -0.884 2.684 -12.262 1.00 52.34 S ATOM 0 H CYS A 58 -2.164 5.331 -11.875 1.00 71.54 H new ATOM 0 HA CYS A 58 -3.252 4.533 -14.508 1.00 24.14 H new ATOM 0 HB2 CYS A 58 -1.933 2.497 -14.406 1.00 14.51 H new ATOM 0 HB3 CYS A 58 -0.865 3.884 -14.334 1.00 14.51 H new ATOM 0 HG CYS A 58 0.124 1.920 -12.563 1.00 52.34 H new ATOM 908 N ARG A 59 -4.602 2.601 -13.411 1.00 74.53 N ATOM 909 CA ARG A 59 -5.655 1.827 -12.764 1.00 71.11 C ATOM 910 C ARG A 59 -5.736 0.421 -13.352 1.00 13.11 C ATOM 911 O ARG A 59 -4.997 0.079 -14.275 1.00 50.22 O ATOM 912 CB ARG A 59 -7.003 2.533 -12.916 1.00 14.40 C ATOM 913 CG ARG A 59 -7.531 3.124 -11.619 1.00 32.23 C ATOM 914 CD ARG A 59 -6.823 4.424 -11.270 1.00 35.33 C ATOM 915 NE ARG A 59 -7.761 5.460 -10.845 1.00 4.21 N ATOM 916 CZ ARG A 59 -8.656 6.017 -11.653 1.00 33.14 C ATOM 917 NH1 ARG A 59 -8.736 5.638 -12.921 1.00 12.13 N ATOM 918 NH2 ARG A 59 -9.475 6.954 -11.192 1.00 41.10 N ATOM 0 H ARG A 59 -4.464 2.383 -14.398 1.00 74.53 H new ATOM 0 HA ARG A 59 -5.413 1.746 -11.704 1.00 71.11 H new ATOM 0 HB2 ARG A 59 -6.906 3.329 -13.655 1.00 14.40 H new ATOM 0 HB3 ARG A 59 -7.733 1.824 -13.306 1.00 14.40 H new ATOM 0 HG2 ARG A 59 -8.602 3.305 -11.710 1.00 32.23 H new ATOM 0 HG3 ARG A 59 -7.396 2.406 -10.810 1.00 32.23 H new ATOM 0 HD2 ARG A 59 -6.100 4.241 -10.475 1.00 35.33 H new ATOM 0 HD3 ARG A 59 -6.262 4.776 -12.136 1.00 35.33 H new ATOM 0 HE ARG A 59 -7.727 5.773 -9.875 1.00 4.21 H new ATOM 0 HH11 ARG A 59 -8.109 4.917 -13.278 1.00 12.13 H new ATOM 0 HH12 ARG A 59 -9.424 6.067 -13.539 1.00 12.13 H new ATOM 0 HH21 ARG A 59 -9.417 7.247 -10.217 1.00 41.10 H new ATOM 0 HH22 ARG A 59 -10.162 7.381 -11.813 1.00 41.10 H new ATOM 932 N PHE A 60 -6.639 -0.390 -12.810 1.00 50.12 N ATOM 933 CA PHE A 60 -6.816 -1.759 -13.280 1.00 31.13 C ATOM 934 C PHE A 60 -8.248 -1.991 -13.752 1.00 34.32 C ATOM 935 O PHE A 60 -9.205 -1.639 -13.064 1.00 33.35 O ATOM 936 CB PHE A 60 -6.466 -2.751 -12.168 1.00 54.03 C ATOM 937 CG PHE A 60 -5.016 -2.727 -11.778 1.00 71.21 C ATOM 938 CD1 PHE A 60 -4.031 -3.037 -12.702 1.00 53.54 C ATOM 939 CD2 PHE A 60 -4.638 -2.395 -10.487 1.00 43.03 C ATOM 940 CE1 PHE A 60 -2.696 -3.016 -12.346 1.00 32.24 C ATOM 941 CE2 PHE A 60 -3.304 -2.372 -10.125 1.00 30.52 C ATOM 942 CZ PHE A 60 -2.332 -2.683 -11.056 1.00 10.53 C ATOM 0 H PHE A 60 -7.259 -0.123 -12.045 1.00 50.12 H new ATOM 0 HA PHE A 60 -6.144 -1.917 -14.124 1.00 31.13 H new ATOM 0 HB2 PHE A 60 -7.074 -2.530 -11.291 1.00 54.03 H new ATOM 0 HB3 PHE A 60 -6.730 -3.757 -12.493 1.00 54.03 H new ATOM 0 HD1 PHE A 60 -4.310 -3.298 -13.712 1.00 53.54 H new ATOM 0 HD2 PHE A 60 -5.394 -2.151 -9.755 1.00 43.03 H new ATOM 0 HE1 PHE A 60 -1.938 -3.260 -13.076 1.00 32.24 H new ATOM 0 HE2 PHE A 60 -3.022 -2.111 -9.116 1.00 30.52 H new ATOM 0 HZ PHE A 60 -1.289 -2.666 -10.776 1.00 10.53 H new ATOM 952 N GLY A 61 -8.387 -2.587 -14.933 1.00 1.42 N ATOM 953 CA GLY A 61 -9.705 -2.855 -15.478 1.00 64.30 C ATOM 954 C GLY A 61 -10.000 -4.339 -15.577 1.00 1.24 C ATOM 955 O GLY A 61 -9.186 -5.109 -16.086 1.00 5.21 O ATOM 0 H GLY A 61 -7.610 -2.889 -15.521 1.00 1.42 H new ATOM 0 HA2 GLY A 61 -10.458 -2.379 -14.850 1.00 64.30 H new ATOM 0 HA3 GLY A 61 -9.784 -2.405 -16.468 1.00 64.30 H new ATOM 959 N VAL A 62 -11.168 -4.742 -15.086 1.00 61.05 N ATOM 960 CA VAL A 62 -11.569 -6.143 -15.121 1.00 24.50 C ATOM 961 C VAL A 62 -12.669 -6.375 -16.150 1.00 61.25 C ATOM 962 O VAL A 62 -13.689 -5.685 -16.150 1.00 63.45 O ATOM 963 CB VAL A 62 -12.062 -6.620 -13.742 1.00 71.21 C ATOM 964 CG1 VAL A 62 -10.884 -6.932 -12.832 1.00 32.14 C ATOM 965 CG2 VAL A 62 -12.972 -5.576 -13.112 1.00 63.31 C ATOM 0 H VAL A 62 -11.853 -4.118 -14.659 1.00 61.05 H new ATOM 0 HA VAL A 62 -10.686 -6.718 -15.402 1.00 24.50 H new ATOM 0 HB VAL A 62 -12.637 -7.536 -13.878 1.00 71.21 H new ATOM 0 HG11 VAL A 62 -11.252 -7.267 -11.862 1.00 32.14 H new ATOM 0 HG12 VAL A 62 -10.276 -7.717 -13.281 1.00 32.14 H new ATOM 0 HG13 VAL A 62 -10.279 -6.035 -12.700 1.00 32.14 H new ATOM 0 HG21 VAL A 62 -13.311 -5.929 -12.138 1.00 63.31 H new ATOM 0 HG22 VAL A 62 -12.423 -4.642 -12.988 1.00 63.31 H new ATOM 0 HG23 VAL A 62 -13.834 -5.408 -13.757 1.00 63.31 H new ATOM 975 N TYR A 63 -12.456 -7.351 -17.026 1.00 44.34 N ATOM 976 CA TYR A 63 -13.429 -7.673 -18.063 1.00 43.15 C ATOM 977 C TYR A 63 -13.499 -9.179 -18.295 1.00 73.13 C ATOM 978 O TYR A 63 -12.477 -9.838 -18.488 1.00 1.53 O ATOM 979 CB TYR A 63 -13.069 -6.961 -19.369 1.00 22.13 C ATOM 980 CG TYR A 63 -12.050 -7.704 -20.203 1.00 20.43 C ATOM 981 CD1 TYR A 63 -12.447 -8.662 -21.129 1.00 4.34 C ATOM 982 CD2 TYR A 63 -10.691 -7.450 -20.064 1.00 71.55 C ATOM 983 CE1 TYR A 63 -11.519 -9.344 -21.892 1.00 54.15 C ATOM 984 CE2 TYR A 63 -9.757 -8.127 -20.825 1.00 50.30 C ATOM 985 CZ TYR A 63 -10.176 -9.073 -21.737 1.00 40.54 C ATOM 986 OH TYR A 63 -9.249 -9.749 -22.496 1.00 25.41 O ATOM 0 H TYR A 63 -11.618 -7.933 -17.038 1.00 44.34 H new ATOM 0 HA TYR A 63 -14.407 -7.329 -17.727 1.00 43.15 H new ATOM 0 HB2 TYR A 63 -13.975 -6.820 -19.958 1.00 22.13 H new ATOM 0 HB3 TYR A 63 -12.682 -5.969 -19.137 1.00 22.13 H new ATOM 0 HD1 TYR A 63 -13.498 -8.877 -21.254 1.00 4.34 H new ATOM 0 HD2 TYR A 63 -10.359 -6.711 -19.349 1.00 71.55 H new ATOM 0 HE1 TYR A 63 -11.844 -10.086 -22.606 1.00 54.15 H new ATOM 0 HE2 TYR A 63 -8.704 -7.916 -20.706 1.00 50.30 H new ATOM 0 HH TYR A 63 -9.537 -10.678 -22.614 1.00 25.41 H new ATOM 996 N ASP A 64 -14.714 -9.718 -18.276 1.00 5.42 N ATOM 997 CA ASP A 64 -14.920 -11.146 -18.485 1.00 40.15 C ATOM 998 C ASP A 64 -14.357 -11.584 -19.834 1.00 74.10 C ATOM 999 O ASP A 64 -14.975 -11.363 -20.877 1.00 5.33 O ATOM 1000 CB ASP A 64 -16.409 -11.485 -18.406 1.00 13.33 C ATOM 1001 CG ASP A 64 -16.755 -12.756 -19.155 1.00 63.35 C ATOM 1002 OD1 ASP A 64 -16.536 -13.852 -18.598 1.00 34.34 O ATOM 1003 OD2 ASP A 64 -17.244 -12.655 -20.300 1.00 32.53 O ATOM 0 H ASP A 64 -15.570 -9.187 -18.118 1.00 5.42 H new ATOM 0 HA ASP A 64 -14.391 -11.684 -17.698 1.00 40.15 H new ATOM 0 HB2 ASP A 64 -16.699 -11.593 -17.361 1.00 13.33 H new ATOM 0 HB3 ASP A 64 -16.989 -10.657 -18.814 1.00 13.33 H new ATOM 1008 N CYS A 65 -13.184 -12.205 -19.806 1.00 24.11 N ATOM 1009 CA CYS A 65 -12.536 -12.673 -21.027 1.00 15.24 C ATOM 1010 C CYS A 65 -13.049 -14.055 -21.419 1.00 14.43 C ATOM 1011 O CYS A 65 -12.712 -14.575 -22.481 1.00 63.10 O ATOM 1012 CB CYS A 65 -11.019 -12.712 -20.841 1.00 60.51 C ATOM 1013 SG CYS A 65 -10.086 -12.726 -22.390 1.00 11.41 S ATOM 0 H CYS A 65 -12.661 -12.397 -18.951 1.00 24.11 H new ATOM 0 HA CYS A 65 -12.778 -11.975 -21.828 1.00 15.24 H new ATOM 0 HB2 CYS A 65 -10.713 -11.847 -20.253 1.00 60.51 H new ATOM 0 HB3 CYS A 65 -10.757 -13.599 -20.263 1.00 60.51 H new ATOM 0 HG CYS A 65 -8.813 -12.757 -22.129 1.00 11.41 H new ATOM 1019 N GLY A 66 -13.867 -14.645 -20.552 1.00 2.12 N ATOM 1020 CA GLY A 66 -14.412 -15.962 -20.825 1.00 23.05 C ATOM 1021 C GLY A 66 -13.657 -17.062 -20.104 1.00 74.03 C ATOM 1022 O GLY A 66 -14.250 -18.050 -19.673 1.00 1.03 O ATOM 0 H GLY A 66 -14.162 -14.234 -19.666 1.00 2.12 H new ATOM 0 HA2 GLY A 66 -15.460 -15.988 -20.525 1.00 23.05 H new ATOM 0 HA3 GLY A 66 -14.383 -16.149 -21.898 1.00 23.05 H new ATOM 1026 N ASN A 67 -12.346 -16.892 -19.976 1.00 4.55 N ATOM 1027 CA ASN A 67 -11.509 -17.880 -19.304 1.00 43.44 C ATOM 1028 C ASN A 67 -10.780 -17.259 -18.117 1.00 11.55 C ATOM 1029 O ASN A 67 -10.245 -17.966 -17.263 1.00 33.23 O ATOM 1030 CB ASN A 67 -10.495 -18.471 -20.286 1.00 72.21 C ATOM 1031 CG ASN A 67 -10.849 -19.887 -20.699 1.00 24.13 C ATOM 1032 OD1 ASN A 67 -10.986 -20.184 -21.886 1.00 3.33 O ATOM 1033 ND2 ASN A 67 -10.998 -20.769 -19.717 1.00 71.35 N ATOM 0 H ASN A 67 -11.840 -16.080 -20.328 1.00 4.55 H new ATOM 0 HA ASN A 67 -12.155 -18.676 -18.935 1.00 43.44 H new ATOM 0 HB2 ASN A 67 -10.441 -17.839 -21.173 1.00 72.21 H new ATOM 0 HB3 ASN A 67 -9.505 -18.465 -19.830 1.00 72.21 H new ATOM 0 HD21 ASN A 67 -11.236 -21.737 -19.933 1.00 71.35 H new ATOM 0 HD22 ASN A 67 -10.875 -20.478 -18.747 1.00 71.35 H new ATOM 1040 N LYS A 68 -10.764 -15.931 -18.068 1.00 44.20 N ATOM 1041 CA LYS A 68 -10.103 -15.212 -16.985 1.00 30.43 C ATOM 1042 C LYS A 68 -10.333 -13.710 -17.109 1.00 1.42 C ATOM 1043 O LYS A 68 -10.993 -13.248 -18.041 1.00 24.34 O ATOM 1044 CB LYS A 68 -8.602 -15.511 -16.988 1.00 31.54 C ATOM 1045 CG LYS A 68 -7.887 -15.023 -18.235 1.00 41.51 C ATOM 1046 CD LYS A 68 -7.967 -16.042 -19.359 1.00 41.43 C ATOM 1047 CE LYS A 68 -8.734 -15.495 -20.553 1.00 72.25 C ATOM 1048 NZ LYS A 68 -8.483 -16.292 -21.786 1.00 70.21 N ATOM 0 H LYS A 68 -11.202 -15.330 -18.767 1.00 44.20 H new ATOM 0 HA LYS A 68 -10.533 -15.551 -16.042 1.00 30.43 H new ATOM 0 HB2 LYS A 68 -8.146 -15.047 -16.113 1.00 31.54 H new ATOM 0 HB3 LYS A 68 -8.454 -16.587 -16.892 1.00 31.54 H new ATOM 0 HG2 LYS A 68 -8.328 -14.082 -18.564 1.00 41.51 H new ATOM 0 HG3 LYS A 68 -6.842 -14.820 -18.000 1.00 41.51 H new ATOM 0 HD2 LYS A 68 -6.961 -16.323 -19.669 1.00 41.43 H new ATOM 0 HD3 LYS A 68 -8.453 -16.948 -18.997 1.00 41.43 H new ATOM 0 HE2 LYS A 68 -9.801 -15.496 -20.331 1.00 72.25 H new ATOM 0 HE3 LYS A 68 -8.446 -14.458 -20.726 1.00 72.25 H new ATOM 0 HZ1 LYS A 68 -9.288 -16.188 -22.436 1.00 70.21 H new ATOM 0 HZ2 LYS A 68 -7.617 -15.951 -22.250 1.00 70.21 H new ATOM 0 HZ3 LYS A 68 -8.369 -17.295 -21.534 1.00 70.21 H new ATOM 1062 N ILE A 69 -9.784 -12.952 -16.165 1.00 41.15 N ATOM 1063 CA ILE A 69 -9.928 -11.501 -16.172 1.00 24.42 C ATOM 1064 C ILE A 69 -8.599 -10.819 -16.477 1.00 43.31 C ATOM 1065 O ILE A 69 -7.789 -10.586 -15.580 1.00 32.12 O ATOM 1066 CB ILE A 69 -10.460 -10.983 -14.823 1.00 54.41 C ATOM 1067 CG1 ILE A 69 -11.705 -11.768 -14.405 1.00 61.52 C ATOM 1068 CG2 ILE A 69 -10.771 -9.496 -14.913 1.00 75.00 C ATOM 1069 CD1 ILE A 69 -12.709 -11.949 -15.522 1.00 64.54 C ATOM 0 H ILE A 69 -9.236 -13.318 -15.387 1.00 41.15 H new ATOM 0 HA ILE A 69 -10.647 -11.258 -16.955 1.00 24.42 H new ATOM 0 HB ILE A 69 -9.690 -11.129 -14.065 1.00 54.41 H new ATOM 0 HG12 ILE A 69 -11.400 -12.748 -14.039 1.00 61.52 H new ATOM 0 HG13 ILE A 69 -12.187 -11.253 -13.574 1.00 61.52 H new ATOM 0 HG21 ILE A 69 -11.146 -9.144 -13.952 1.00 75.00 H new ATOM 0 HG22 ILE A 69 -9.864 -8.949 -15.171 1.00 75.00 H new ATOM 0 HG23 ILE A 69 -11.526 -9.328 -15.681 1.00 75.00 H new ATOM 0 HD11 ILE A 69 -13.565 -12.514 -15.154 1.00 64.54 H new ATOM 0 HD12 ILE A 69 -13.043 -10.973 -15.873 1.00 64.54 H new ATOM 0 HD13 ILE A 69 -12.244 -12.491 -16.345 1.00 64.54 H new ATOM 1081 N GLN A 70 -8.382 -10.499 -17.749 1.00 14.00 N ATOM 1082 CA GLN A 70 -7.152 -9.841 -18.172 1.00 63.42 C ATOM 1083 C GLN A 70 -7.217 -8.341 -17.907 1.00 11.02 C ATOM 1084 O GLN A 70 -7.930 -7.609 -18.594 1.00 21.11 O ATOM 1085 CB GLN A 70 -6.897 -10.098 -19.658 1.00 43.25 C ATOM 1086 CG GLN A 70 -5.487 -9.744 -20.104 1.00 21.33 C ATOM 1087 CD GLN A 70 -5.468 -8.739 -21.238 1.00 60.25 C ATOM 1088 OE1 GLN A 70 -4.810 -8.949 -22.258 1.00 2.22 O ATOM 1089 NE2 GLN A 70 -6.192 -7.639 -21.068 1.00 32.44 N ATOM 0 H GLN A 70 -9.042 -10.685 -18.504 1.00 14.00 H new ATOM 0 HA GLN A 70 -6.329 -10.258 -17.592 1.00 63.42 H new ATOM 0 HB2 GLN A 70 -7.084 -11.150 -19.873 1.00 43.25 H new ATOM 0 HB3 GLN A 70 -7.611 -9.521 -20.246 1.00 43.25 H new ATOM 0 HG2 GLN A 70 -4.933 -9.340 -19.257 1.00 21.33 H new ATOM 0 HG3 GLN A 70 -4.971 -10.651 -20.419 1.00 21.33 H new ATOM 0 HE21 GLN A 70 -6.722 -7.505 -20.207 1.00 32.44 H new ATOM 0 HE22 GLN A 70 -6.218 -6.928 -21.798 1.00 32.44 H new ATOM 1098 N PHE A 71 -6.469 -7.889 -16.906 1.00 33.14 N ATOM 1099 CA PHE A 71 -6.443 -6.475 -16.548 1.00 74.53 C ATOM 1100 C PHE A 71 -5.079 -5.863 -16.852 1.00 12.24 C ATOM 1101 O PHE A 71 -4.050 -6.347 -16.380 1.00 40.25 O ATOM 1102 CB PHE A 71 -6.777 -6.296 -15.066 1.00 34.11 C ATOM 1103 CG PHE A 71 -5.814 -6.991 -14.146 1.00 53.32 C ATOM 1104 CD1 PHE A 71 -5.985 -8.328 -13.825 1.00 4.32 C ATOM 1105 CD2 PHE A 71 -4.738 -6.307 -13.603 1.00 55.14 C ATOM 1106 CE1 PHE A 71 -5.100 -8.969 -12.978 1.00 53.11 C ATOM 1107 CE2 PHE A 71 -3.851 -6.943 -12.756 1.00 45.03 C ATOM 1108 CZ PHE A 71 -4.031 -8.276 -12.444 1.00 73.11 C ATOM 0 H PHE A 71 -5.873 -8.481 -16.328 1.00 33.14 H new ATOM 0 HA PHE A 71 -7.194 -5.960 -17.147 1.00 74.53 H new ATOM 0 HB2 PHE A 71 -6.788 -5.232 -14.830 1.00 34.11 H new ATOM 0 HB3 PHE A 71 -7.782 -6.674 -14.880 1.00 34.11 H new ATOM 0 HD1 PHE A 71 -6.818 -8.875 -14.241 1.00 4.32 H new ATOM 0 HD2 PHE A 71 -4.591 -5.265 -13.845 1.00 55.14 H new ATOM 0 HE1 PHE A 71 -5.244 -10.011 -12.734 1.00 53.11 H new ATOM 0 HE2 PHE A 71 -3.017 -6.398 -12.338 1.00 45.03 H new ATOM 0 HZ PHE A 71 -3.338 -8.776 -11.784 1.00 73.11 H new ATOM 1118 N VAL A 72 -5.080 -4.794 -17.643 1.00 24.44 N ATOM 1119 CA VAL A 72 -3.843 -4.114 -18.009 1.00 72.23 C ATOM 1120 C VAL A 72 -3.837 -2.675 -17.505 1.00 72.51 C ATOM 1121 O VAL A 72 -4.886 -2.038 -17.400 1.00 31.30 O ATOM 1122 CB VAL A 72 -3.635 -4.113 -19.535 1.00 41.44 C ATOM 1123 CG1 VAL A 72 -2.431 -3.261 -19.909 1.00 54.23 C ATOM 1124 CG2 VAL A 72 -3.473 -5.534 -20.052 1.00 73.31 C ATOM 0 H VAL A 72 -5.923 -4.381 -18.042 1.00 24.44 H new ATOM 0 HA VAL A 72 -3.028 -4.664 -17.539 1.00 72.23 H new ATOM 0 HB VAL A 72 -4.518 -3.679 -20.004 1.00 41.44 H new ATOM 0 HG11 VAL A 72 -2.299 -3.272 -20.991 1.00 54.23 H new ATOM 0 HG12 VAL A 72 -2.592 -2.236 -19.573 1.00 54.23 H new ATOM 0 HG13 VAL A 72 -1.538 -3.663 -19.431 1.00 54.23 H new ATOM 0 HG21 VAL A 72 -3.327 -5.514 -21.132 1.00 73.31 H new ATOM 0 HG22 VAL A 72 -2.608 -5.997 -19.578 1.00 73.31 H new ATOM 0 HG23 VAL A 72 -4.368 -6.111 -19.818 1.00 73.31 H new ATOM 1134 N LEU A 73 -2.649 -2.168 -17.195 1.00 33.43 N ATOM 1135 CA LEU A 73 -2.505 -0.803 -16.701 1.00 74.04 C ATOM 1136 C LEU A 73 -1.280 -0.130 -17.311 1.00 50.03 C ATOM 1137 O LEU A 73 -0.287 -0.789 -17.619 1.00 5.35 O ATOM 1138 CB LEU A 73 -2.397 -0.800 -15.176 1.00 2.24 C ATOM 1139 CG LEU A 73 -1.049 -1.233 -14.598 1.00 1.43 C ATOM 1140 CD1 LEU A 73 -0.611 -2.558 -15.201 1.00 23.34 C ATOM 1141 CD2 LEU A 73 0.004 -0.161 -14.839 1.00 51.23 C ATOM 0 H LEU A 73 -1.771 -2.681 -17.277 1.00 33.43 H new ATOM 0 HA LEU A 73 -3.391 -0.240 -16.997 1.00 74.04 H new ATOM 0 HB2 LEU A 73 -2.617 0.206 -14.818 1.00 2.24 H new ATOM 0 HB3 LEU A 73 -3.169 -1.457 -14.776 1.00 2.24 H new ATOM 0 HG LEU A 73 -1.163 -1.367 -13.522 1.00 1.43 H new ATOM 0 HD11 LEU A 73 0.350 -2.850 -14.778 1.00 23.34 H new ATOM 0 HD12 LEU A 73 -1.354 -3.323 -14.977 1.00 23.34 H new ATOM 0 HD13 LEU A 73 -0.515 -2.452 -16.282 1.00 23.34 H new ATOM 0 HD21 LEU A 73 0.957 -0.486 -14.421 1.00 51.23 H new ATOM 0 HD22 LEU A 73 0.116 0.005 -15.910 1.00 51.23 H new ATOM 0 HD23 LEU A 73 -0.305 0.767 -14.358 1.00 51.23 H new ATOM 1153 N TRP A 74 -1.357 1.185 -17.481 1.00 72.24 N ATOM 1154 CA TRP A 74 -0.253 1.948 -18.053 1.00 21.54 C ATOM 1155 C TRP A 74 0.400 2.833 -16.997 1.00 43.12 C ATOM 1156 O TRP A 74 -0.238 3.730 -16.445 1.00 41.32 O ATOM 1157 CB TRP A 74 -0.747 2.804 -19.220 1.00 33.24 C ATOM 1158 CG TRP A 74 -0.173 4.188 -19.226 1.00 1.13 C ATOM 1159 CD1 TRP A 74 1.061 4.562 -19.678 1.00 35.35 C ATOM 1160 CD2 TRP A 74 -0.809 5.382 -18.757 1.00 31.14 C ATOM 1161 NE1 TRP A 74 1.230 5.916 -19.517 1.00 75.15 N ATOM 1162 CE2 TRP A 74 0.097 6.442 -18.955 1.00 53.34 C ATOM 1163 CE3 TRP A 74 -2.056 5.659 -18.190 1.00 31.30 C ATOM 1164 CZ2 TRP A 74 -0.207 7.755 -18.606 1.00 2.40 C ATOM 1165 CZ3 TRP A 74 -2.356 6.962 -17.843 1.00 44.44 C ATOM 1166 CH2 TRP A 74 -1.435 7.998 -18.053 1.00 21.30 C ATOM 0 H TRP A 74 -2.172 1.745 -17.231 1.00 72.24 H new ATOM 0 HA TRP A 74 0.492 1.242 -18.421 1.00 21.54 H new ATOM 0 HB2 TRP A 74 -0.493 2.309 -20.157 1.00 33.24 H new ATOM 0 HB3 TRP A 74 -1.834 2.869 -19.178 1.00 33.24 H new ATOM 0 HD1 TRP A 74 1.795 3.892 -20.100 1.00 35.35 H new ATOM 0 HE1 TRP A 74 2.064 6.444 -19.774 1.00 75.15 H new ATOM 0 HE3 TRP A 74 -2.773 4.868 -18.026 1.00 31.30 H new ATOM 0 HZ2 TRP A 74 0.502 8.554 -18.766 1.00 2.40 H new ATOM 0 HZ3 TRP A 74 -3.316 7.186 -17.403 1.00 44.44 H new ATOM 0 HH2 TRP A 74 -1.700 9.007 -17.773 1.00 21.30 H new ATOM 1177 N CYS A 75 1.674 2.576 -16.721 1.00 70.05 N ATOM 1178 CA CYS A 75 2.413 3.350 -15.731 1.00 2.51 C ATOM 1179 C CYS A 75 2.369 4.839 -16.061 1.00 31.11 C ATOM 1180 O CYS A 75 2.636 5.258 -17.187 1.00 51.41 O ATOM 1181 CB CYS A 75 3.865 2.874 -15.660 1.00 51.35 C ATOM 1182 SG CYS A 75 4.165 1.604 -14.409 1.00 43.30 S ATOM 0 H CYS A 75 2.216 1.837 -17.169 1.00 70.05 H new ATOM 0 HA CYS A 75 1.940 3.197 -14.761 1.00 2.51 H new ATOM 0 HB2 CYS A 75 4.156 2.484 -16.635 1.00 51.35 H new ATOM 0 HB3 CYS A 75 4.507 3.730 -15.454 1.00 51.35 H new ATOM 0 HG CYS A 75 5.420 1.265 -14.427 1.00 43.30 H new ATOM 1188 N PRO A 76 2.022 5.658 -15.057 1.00 30.32 N ATOM 1189 CA PRO A 76 1.933 7.112 -15.216 1.00 40.22 C ATOM 1190 C PRO A 76 3.301 7.760 -15.402 1.00 20.30 C ATOM 1191 O PRO A 76 4.279 7.357 -14.772 1.00 44.52 O ATOM 1192 CB PRO A 76 1.296 7.575 -13.903 1.00 64.33 C ATOM 1193 CG PRO A 76 1.652 6.517 -12.917 1.00 31.25 C ATOM 1194 CD PRO A 76 1.690 5.227 -13.688 1.00 63.23 C ATOM 0 HA PRO A 76 1.364 7.390 -16.103 1.00 40.22 H new ATOM 0 HB2 PRO A 76 1.682 8.548 -13.597 1.00 64.33 H new ATOM 0 HB3 PRO A 76 0.215 7.677 -14.001 1.00 64.33 H new ATOM 0 HG2 PRO A 76 2.617 6.724 -12.455 1.00 31.25 H new ATOM 0 HG3 PRO A 76 0.917 6.470 -12.113 1.00 31.25 H new ATOM 0 HD2 PRO A 76 2.439 4.542 -13.289 1.00 63.23 H new ATOM 0 HD3 PRO A 76 0.732 4.708 -13.651 1.00 63.23 H new ATOM 1202 N ASP A 77 3.362 8.764 -16.269 1.00 41.04 N ATOM 1203 CA ASP A 77 4.611 9.469 -16.537 1.00 34.43 C ATOM 1204 C ASP A 77 4.795 10.634 -15.570 1.00 31.24 C ATOM 1205 O ASP A 77 5.769 11.379 -15.659 1.00 44.32 O ATOM 1206 CB ASP A 77 4.635 9.978 -17.979 1.00 30.22 C ATOM 1207 CG ASP A 77 5.610 9.209 -18.848 1.00 24.31 C ATOM 1208 OD1 ASP A 77 6.814 9.544 -18.830 1.00 35.32 O ATOM 1209 OD2 ASP A 77 5.171 8.271 -19.546 1.00 12.13 O ATOM 0 H ASP A 77 2.561 9.109 -16.799 1.00 41.04 H new ATOM 0 HA ASP A 77 5.433 8.768 -16.394 1.00 34.43 H new ATOM 0 HB2 ASP A 77 3.635 9.901 -18.405 1.00 30.22 H new ATOM 0 HB3 ASP A 77 4.903 11.034 -17.984 1.00 30.22 H new ATOM 1214 N ASN A 78 3.851 10.785 -14.646 1.00 22.51 N ATOM 1215 CA ASN A 78 3.909 11.860 -13.663 1.00 13.22 C ATOM 1216 C ASN A 78 4.644 11.409 -12.405 1.00 23.32 C ATOM 1217 O ASN A 78 5.292 12.209 -11.731 1.00 43.23 O ATOM 1218 CB ASN A 78 2.497 12.326 -13.302 1.00 74.31 C ATOM 1219 CG ASN A 78 2.500 13.432 -12.264 1.00 73.54 C ATOM 1220 OD1 ASN A 78 1.992 13.259 -11.156 1.00 52.52 O ATOM 1221 ND2 ASN A 78 3.074 14.575 -12.620 1.00 73.12 N ATOM 0 H ASN A 78 3.037 10.176 -14.558 1.00 22.51 H new ATOM 0 HA ASN A 78 4.458 12.692 -14.104 1.00 13.22 H new ATOM 0 HB2 ASN A 78 1.992 12.678 -14.202 1.00 74.31 H new ATOM 0 HB3 ASN A 78 1.923 11.479 -12.925 1.00 74.31 H new ATOM 0 HD21 ASN A 78 3.107 15.355 -11.964 1.00 73.12 H new ATOM 0 HD22 ASN A 78 3.482 14.673 -13.550 1.00 73.12 H new ATOM 1228 N ALA A 79 4.539 10.121 -12.095 1.00 21.43 N ATOM 1229 CA ALA A 79 5.196 9.562 -10.920 1.00 20.33 C ATOM 1230 C ALA A 79 4.883 8.077 -10.770 1.00 64.43 C ATOM 1231 O ALA A 79 4.104 7.665 -9.911 1.00 13.11 O ATOM 1232 CB ALA A 79 4.776 10.320 -9.669 1.00 73.13 C ATOM 0 H ALA A 79 4.005 9.445 -12.641 1.00 21.43 H new ATOM 0 HA ALA A 79 6.273 9.668 -11.052 1.00 20.33 H new ATOM 0 HB1 ALA A 79 5.274 9.892 -8.799 1.00 73.13 H new ATOM 0 HB2 ALA A 79 5.056 11.369 -9.768 1.00 73.13 H new ATOM 0 HB3 ALA A 79 3.696 10.243 -9.543 1.00 73.13 H new ATOM 1238 N PRO A 80 5.504 7.251 -11.626 1.00 42.42 N ATOM 1239 CA PRO A 80 5.307 5.799 -11.609 1.00 64.11 C ATOM 1240 C PRO A 80 5.925 5.145 -10.378 1.00 34.32 C ATOM 1241 O PRO A 80 5.483 4.082 -9.940 1.00 4.11 O ATOM 1242 CB PRO A 80 6.022 5.329 -12.879 1.00 14.11 C ATOM 1243 CG PRO A 80 7.047 6.377 -13.146 1.00 74.55 C ATOM 1244 CD PRO A 80 6.447 7.673 -12.676 1.00 73.33 C ATOM 0 HA PRO A 80 4.251 5.531 -11.574 1.00 64.11 H new ATOM 0 HB2 PRO A 80 6.483 4.352 -12.735 1.00 14.11 H new ATOM 0 HB3 PRO A 80 5.326 5.234 -13.713 1.00 14.11 H new ATOM 0 HG2 PRO A 80 7.974 6.161 -12.615 1.00 74.55 H new ATOM 0 HG3 PRO A 80 7.291 6.422 -14.207 1.00 74.55 H new ATOM 0 HD2 PRO A 80 7.207 8.349 -12.285 1.00 73.33 H new ATOM 0 HD3 PRO A 80 5.939 8.198 -13.485 1.00 73.33 H new ATOM 1252 N VAL A 81 6.948 5.786 -9.823 1.00 12.45 N ATOM 1253 CA VAL A 81 7.625 5.267 -8.640 1.00 52.41 C ATOM 1254 C VAL A 81 6.625 4.911 -7.546 1.00 54.31 C ATOM 1255 O VAL A 81 6.900 4.075 -6.686 1.00 31.14 O ATOM 1256 CB VAL A 81 8.639 6.284 -8.082 1.00 73.14 C ATOM 1257 CG1 VAL A 81 7.959 7.614 -7.795 1.00 72.04 C ATOM 1258 CG2 VAL A 81 9.308 5.737 -6.831 1.00 34.45 C ATOM 0 H VAL A 81 7.327 6.666 -10.173 1.00 12.45 H new ATOM 0 HA VAL A 81 8.157 4.367 -8.949 1.00 52.41 H new ATOM 0 HB VAL A 81 9.410 6.453 -8.834 1.00 73.14 H new ATOM 0 HG11 VAL A 81 8.691 8.319 -7.402 1.00 72.04 H new ATOM 0 HG12 VAL A 81 7.532 8.010 -8.716 1.00 72.04 H new ATOM 0 HG13 VAL A 81 7.166 7.467 -7.061 1.00 72.04 H new ATOM 0 HG21 VAL A 81 10.021 6.468 -6.450 1.00 34.45 H new ATOM 0 HG22 VAL A 81 8.552 5.538 -6.071 1.00 34.45 H new ATOM 0 HG23 VAL A 81 9.831 4.812 -7.073 1.00 34.45 H new ATOM 1268 N LYS A 82 5.461 5.552 -7.585 1.00 31.51 N ATOM 1269 CA LYS A 82 4.417 5.302 -6.598 1.00 53.23 C ATOM 1270 C LYS A 82 3.651 4.025 -6.928 1.00 32.14 C ATOM 1271 O LYS A 82 3.692 3.040 -6.190 1.00 10.12 O ATOM 1272 CB LYS A 82 3.451 6.487 -6.537 1.00 55.54 C ATOM 1273 CG LYS A 82 3.628 7.354 -5.303 1.00 2.22 C ATOM 1274 CD LYS A 82 4.995 8.018 -5.280 1.00 13.34 C ATOM 1275 CE LYS A 82 5.649 7.899 -3.912 1.00 0.43 C ATOM 1276 NZ LYS A 82 4.802 8.490 -2.839 1.00 3.24 N ATOM 0 H LYS A 82 5.217 6.248 -8.289 1.00 31.51 H new ATOM 0 HA LYS A 82 4.893 5.178 -5.625 1.00 53.23 H new ATOM 0 HB2 LYS A 82 3.588 7.103 -7.426 1.00 55.54 H new ATOM 0 HB3 LYS A 82 2.428 6.112 -6.564 1.00 55.54 H new ATOM 0 HG2 LYS A 82 2.851 8.118 -5.279 1.00 2.22 H new ATOM 0 HG3 LYS A 82 3.503 6.745 -4.408 1.00 2.22 H new ATOM 0 HD2 LYS A 82 5.636 7.559 -6.032 1.00 13.34 H new ATOM 0 HD3 LYS A 82 4.894 9.070 -5.546 1.00 13.34 H new ATOM 0 HE2 LYS A 82 5.837 6.849 -3.689 1.00 0.43 H new ATOM 0 HE3 LYS A 82 6.617 8.400 -3.928 1.00 0.43 H new ATOM 0 HZ1 LYS A 82 5.377 8.637 -1.985 1.00 3.24 H new ATOM 0 HZ2 LYS A 82 4.420 9.402 -3.161 1.00 3.24 H new ATOM 0 HZ3 LYS A 82 4.017 7.844 -2.621 1.00 3.24 H new ATOM 1290 N PRO A 83 2.936 4.038 -8.062 1.00 53.53 N ATOM 1291 CA PRO A 83 2.149 2.888 -8.516 1.00 33.11 C ATOM 1292 C PRO A 83 3.027 1.727 -8.968 1.00 64.42 C ATOM 1293 O PRO A 83 2.867 0.598 -8.504 1.00 65.41 O ATOM 1294 CB PRO A 83 1.351 3.447 -9.697 1.00 65.10 C ATOM 1295 CG PRO A 83 2.167 4.588 -10.198 1.00 42.33 C ATOM 1296 CD PRO A 83 2.841 5.178 -8.990 1.00 72.02 C ATOM 0 HA PRO A 83 1.527 2.480 -7.719 1.00 33.11 H new ATOM 0 HB2 PRO A 83 1.208 2.693 -10.471 1.00 65.10 H new ATOM 0 HB3 PRO A 83 0.360 3.776 -9.385 1.00 65.10 H new ATOM 0 HG2 PRO A 83 2.902 4.251 -10.929 1.00 42.33 H new ATOM 0 HG3 PRO A 83 1.539 5.328 -10.695 1.00 42.33 H new ATOM 0 HD2 PRO A 83 3.824 5.580 -9.235 1.00 72.02 H new ATOM 0 HD3 PRO A 83 2.259 5.995 -8.564 1.00 72.02 H new ATOM 1304 N ARG A 84 3.955 2.011 -9.876 1.00 5.42 N ATOM 1305 CA ARG A 84 4.859 0.990 -10.391 1.00 60.20 C ATOM 1306 C ARG A 84 5.467 0.177 -9.252 1.00 34.33 C ATOM 1307 O ARG A 84 5.812 -0.992 -9.425 1.00 40.45 O ATOM 1308 CB ARG A 84 5.971 1.634 -11.222 1.00 33.15 C ATOM 1309 CG ARG A 84 6.828 0.630 -11.975 1.00 31.23 C ATOM 1310 CD ARG A 84 8.121 0.332 -11.231 1.00 54.41 C ATOM 1311 NE ARG A 84 9.147 -0.215 -12.114 1.00 74.35 N ATOM 1312 CZ ARG A 84 10.322 -0.663 -11.687 1.00 11.11 C ATOM 1313 NH1 ARG A 84 10.618 -0.628 -10.395 1.00 62.10 N ATOM 1314 NH2 ARG A 84 11.204 -1.147 -12.552 1.00 54.03 N ATOM 0 H ARG A 84 4.100 2.940 -10.270 1.00 5.42 H new ATOM 0 HA ARG A 84 4.282 0.318 -11.027 1.00 60.20 H new ATOM 0 HB2 ARG A 84 5.525 2.326 -11.936 1.00 33.15 H new ATOM 0 HB3 ARG A 84 6.610 2.223 -10.564 1.00 33.15 H new ATOM 0 HG2 ARG A 84 6.268 -0.294 -12.117 1.00 31.23 H new ATOM 0 HG3 ARG A 84 7.059 1.019 -12.967 1.00 31.23 H new ATOM 0 HD2 ARG A 84 8.492 1.246 -10.768 1.00 54.41 H new ATOM 0 HD3 ARG A 84 7.921 -0.375 -10.426 1.00 54.41 H new ATOM 0 HE ARG A 84 8.950 -0.255 -13.114 1.00 74.35 H new ATOM 0 HH11 ARG A 84 9.943 -0.256 -9.727 1.00 62.10 H new ATOM 0 HH12 ARG A 84 11.521 -0.973 -10.069 1.00 62.10 H new ATOM 0 HH21 ARG A 84 10.980 -1.175 -13.547 1.00 54.03 H new ATOM 0 HH22 ARG A 84 12.106 -1.491 -12.222 1.00 54.03 H new ATOM 1328 N MET A 85 5.594 0.804 -8.087 1.00 21.52 N ATOM 1329 CA MET A 85 6.159 0.138 -6.919 1.00 24.30 C ATOM 1330 C MET A 85 5.075 -0.589 -6.130 1.00 2.15 C ATOM 1331 O MET A 85 5.162 -1.796 -5.901 1.00 1.14 O ATOM 1332 CB MET A 85 6.868 1.153 -6.020 1.00 31.52 C ATOM 1333 CG MET A 85 8.244 1.556 -6.525 1.00 55.22 C ATOM 1334 SD MET A 85 9.475 0.259 -6.299 1.00 30.23 S ATOM 1335 CE MET A 85 10.926 1.234 -5.907 1.00 34.40 C ATOM 0 H MET A 85 5.314 1.771 -7.927 1.00 21.52 H new ATOM 0 HA MET A 85 6.885 -0.597 -7.267 1.00 24.30 H new ATOM 0 HB2 MET A 85 6.247 2.044 -5.932 1.00 31.52 H new ATOM 0 HB3 MET A 85 6.966 0.733 -5.019 1.00 31.52 H new ATOM 0 HG2 MET A 85 8.178 1.809 -7.583 1.00 55.22 H new ATOM 0 HG3 MET A 85 8.569 2.455 -6.002 1.00 55.22 H new ATOM 0 HE1 MET A 85 11.775 0.571 -5.739 1.00 34.40 H new ATOM 0 HE2 MET A 85 11.148 1.906 -6.736 1.00 34.40 H new ATOM 0 HE3 MET A 85 10.739 1.819 -5.006 1.00 34.40 H new ATOM 1345 N THR A 86 4.053 0.153 -5.715 1.00 2.44 N ATOM 1346 CA THR A 86 2.953 -0.420 -4.950 1.00 1.34 C ATOM 1347 C THR A 86 2.321 -1.592 -5.690 1.00 74.43 C ATOM 1348 O THR A 86 2.355 -2.729 -5.218 1.00 43.10 O ATOM 1349 CB THR A 86 1.867 0.632 -4.653 1.00 60.35 C ATOM 1350 OG1 THR A 86 1.709 1.503 -5.779 1.00 32.12 O ATOM 1351 CG2 THR A 86 2.225 1.447 -3.421 1.00 4.45 C ATOM 0 H THR A 86 3.964 1.153 -5.896 1.00 2.44 H new ATOM 0 HA THR A 86 3.373 -0.773 -4.008 1.00 1.34 H new ATOM 0 HB THR A 86 0.929 0.110 -4.463 1.00 60.35 H new ATOM 0 HG1 THR A 86 2.292 2.284 -5.673 1.00 32.12 H new ATOM 0 HG21 THR A 86 1.443 2.183 -3.232 1.00 4.45 H new ATOM 0 HG22 THR A 86 2.316 0.784 -2.560 1.00 4.45 H new ATOM 0 HG23 THR A 86 3.173 1.959 -3.586 1.00 4.45 H new ATOM 1359 N TYR A 87 1.744 -1.310 -6.853 1.00 40.31 N ATOM 1360 CA TYR A 87 1.102 -2.342 -7.659 1.00 11.44 C ATOM 1361 C TYR A 87 2.010 -3.558 -7.810 1.00 32.31 C ATOM 1362 O TYR A 87 1.537 -4.687 -7.943 1.00 42.40 O ATOM 1363 CB TYR A 87 0.738 -1.789 -9.037 1.00 54.44 C ATOM 1364 CG TYR A 87 1.521 -2.417 -10.168 1.00 11.40 C ATOM 1365 CD1 TYR A 87 1.101 -3.603 -10.756 1.00 34.11 C ATOM 1366 CD2 TYR A 87 2.681 -1.822 -10.649 1.00 23.41 C ATOM 1367 CE1 TYR A 87 1.814 -4.181 -11.788 1.00 53.54 C ATOM 1368 CE2 TYR A 87 3.400 -2.392 -11.682 1.00 41.02 C ATOM 1369 CZ TYR A 87 2.963 -3.571 -12.248 1.00 74.22 C ATOM 1370 OH TYR A 87 3.675 -4.143 -13.278 1.00 0.54 O ATOM 0 H TYR A 87 1.708 -0.375 -7.259 1.00 40.31 H new ATOM 0 HA TYR A 87 0.191 -2.653 -7.148 1.00 11.44 H new ATOM 0 HB2 TYR A 87 -0.326 -1.946 -9.212 1.00 54.44 H new ATOM 0 HB3 TYR A 87 0.907 -0.712 -9.043 1.00 54.44 H new ATOM 0 HD1 TYR A 87 0.201 -4.082 -10.400 1.00 34.11 H new ATOM 0 HD2 TYR A 87 3.026 -0.899 -10.208 1.00 23.41 H new ATOM 0 HE1 TYR A 87 1.474 -5.105 -12.232 1.00 53.54 H new ATOM 0 HE2 TYR A 87 4.300 -1.917 -12.044 1.00 41.02 H new ATOM 0 HH TYR A 87 4.456 -3.588 -13.483 1.00 0.54 H new ATOM 1380 N ALA A 88 3.317 -3.319 -7.788 1.00 30.34 N ATOM 1381 CA ALA A 88 4.292 -4.394 -7.919 1.00 64.43 C ATOM 1382 C ALA A 88 4.142 -5.413 -6.794 1.00 45.42 C ATOM 1383 O ALA A 88 3.869 -6.587 -7.040 1.00 20.43 O ATOM 1384 CB ALA A 88 5.704 -3.827 -7.936 1.00 21.03 C ATOM 0 H ALA A 88 3.725 -2.390 -7.681 1.00 30.34 H new ATOM 0 HA ALA A 88 4.106 -4.906 -8.863 1.00 64.43 H new ATOM 0 HB1 ALA A 88 6.422 -4.641 -8.034 1.00 21.03 H new ATOM 0 HB2 ALA A 88 5.812 -3.144 -8.779 1.00 21.03 H new ATOM 0 HB3 ALA A 88 5.891 -3.289 -7.007 1.00 21.03 H new ATOM 1390 N SER A 89 4.324 -4.955 -5.560 1.00 10.43 N ATOM 1391 CA SER A 89 4.213 -5.827 -4.397 1.00 22.24 C ATOM 1392 C SER A 89 2.767 -5.915 -3.919 1.00 11.42 C ATOM 1393 O SER A 89 2.476 -6.536 -2.897 1.00 33.10 O ATOM 1394 CB SER A 89 5.107 -5.318 -3.264 1.00 34.12 C ATOM 1395 OG SER A 89 6.373 -4.914 -3.755 1.00 72.12 O ATOM 0 H SER A 89 4.549 -3.985 -5.340 1.00 10.43 H new ATOM 0 HA SER A 89 4.542 -6.824 -4.689 1.00 22.24 H new ATOM 0 HB2 SER A 89 4.623 -4.479 -2.764 1.00 34.12 H new ATOM 0 HB3 SER A 89 5.236 -6.102 -2.518 1.00 34.12 H new ATOM 0 HG SER A 89 7.019 -4.898 -3.019 1.00 72.12 H new ATOM 1401 N SER A 90 1.864 -5.287 -4.666 1.00 65.01 N ATOM 1402 CA SER A 90 0.448 -5.290 -4.318 1.00 44.20 C ATOM 1403 C SER A 90 -0.329 -6.249 -5.214 1.00 54.11 C ATOM 1404 O SER A 90 -1.400 -6.732 -4.845 1.00 22.40 O ATOM 1405 CB SER A 90 -0.131 -3.879 -4.438 1.00 43.20 C ATOM 1406 OG SER A 90 -1.422 -3.806 -3.858 1.00 25.31 O ATOM 0 H SER A 90 2.088 -4.770 -5.516 1.00 65.01 H new ATOM 0 HA SER A 90 0.353 -5.627 -3.286 1.00 44.20 H new ATOM 0 HB2 SER A 90 0.533 -3.167 -3.947 1.00 43.20 H new ATOM 0 HB3 SER A 90 -0.184 -3.593 -5.488 1.00 43.20 H new ATOM 0 HG SER A 90 -1.769 -2.894 -3.946 1.00 25.31 H new ATOM 1412 N LYS A 91 0.217 -6.520 -6.395 1.00 11.04 N ATOM 1413 CA LYS A 91 -0.423 -7.422 -7.345 1.00 43.21 C ATOM 1414 C LYS A 91 -0.753 -8.759 -6.689 1.00 43.21 C ATOM 1415 O LYS A 91 -1.724 -9.419 -7.058 1.00 14.22 O ATOM 1416 CB LYS A 91 0.485 -7.646 -8.557 1.00 31.34 C ATOM 1417 CG LYS A 91 1.633 -8.604 -8.287 1.00 52.05 C ATOM 1418 CD LYS A 91 2.840 -8.285 -9.153 1.00 50.23 C ATOM 1419 CE LYS A 91 4.094 -8.974 -8.638 1.00 32.25 C ATOM 1420 NZ LYS A 91 4.468 -10.146 -9.477 1.00 50.33 N ATOM 0 H LYS A 91 1.102 -6.127 -6.717 1.00 11.04 H new ATOM 0 HA LYS A 91 -1.354 -6.961 -7.676 1.00 43.21 H new ATOM 0 HB2 LYS A 91 -0.113 -8.032 -9.382 1.00 31.34 H new ATOM 0 HB3 LYS A 91 0.891 -6.687 -8.879 1.00 31.34 H new ATOM 0 HG2 LYS A 91 1.914 -8.550 -7.235 1.00 52.05 H new ATOM 0 HG3 LYS A 91 1.307 -9.627 -8.477 1.00 52.05 H new ATOM 0 HD2 LYS A 91 2.646 -8.599 -10.179 1.00 50.23 H new ATOM 0 HD3 LYS A 91 2.999 -7.207 -9.174 1.00 50.23 H new ATOM 0 HE2 LYS A 91 4.919 -8.262 -8.621 1.00 32.25 H new ATOM 0 HE3 LYS A 91 3.933 -9.300 -7.610 1.00 32.25 H new ATOM 0 HZ1 LYS A 91 5.328 -10.588 -9.093 1.00 50.33 H new ATOM 0 HZ2 LYS A 91 3.692 -10.838 -9.473 1.00 50.33 H new ATOM 0 HZ3 LYS A 91 4.647 -9.832 -10.452 1.00 50.33 H new ATOM 1434 N ASP A 92 0.061 -9.151 -5.715 1.00 73.30 N ATOM 1435 CA ASP A 92 -0.147 -10.409 -5.006 1.00 4.42 C ATOM 1436 C ASP A 92 -1.521 -10.440 -4.345 1.00 53.52 C ATOM 1437 O ASP A 92 -2.072 -11.509 -4.086 1.00 10.04 O ATOM 1438 CB ASP A 92 0.944 -10.610 -3.952 1.00 72.44 C ATOM 1439 CG ASP A 92 2.335 -10.620 -4.554 1.00 63.11 C ATOM 1440 OD1 ASP A 92 2.476 -11.053 -5.717 1.00 35.44 O ATOM 1441 OD2 ASP A 92 3.284 -10.195 -3.862 1.00 63.20 O ATOM 0 H ASP A 92 0.870 -8.617 -5.398 1.00 73.30 H new ATOM 0 HA ASP A 92 -0.095 -11.220 -5.732 1.00 4.42 H new ATOM 0 HB2 ASP A 92 0.878 -9.815 -3.209 1.00 72.44 H new ATOM 0 HB3 ASP A 92 0.771 -11.550 -3.429 1.00 72.44 H new ATOM 1446 N ALA A 93 -2.069 -9.259 -4.075 1.00 71.21 N ATOM 1447 CA ALA A 93 -3.379 -9.151 -3.446 1.00 34.22 C ATOM 1448 C ALA A 93 -4.478 -8.988 -4.490 1.00 53.33 C ATOM 1449 O ALA A 93 -5.452 -9.742 -4.505 1.00 51.13 O ATOM 1450 CB ALA A 93 -3.401 -7.986 -2.468 1.00 23.04 C ATOM 0 H ALA A 93 -1.626 -8.364 -4.282 1.00 71.21 H new ATOM 0 HA ALA A 93 -3.568 -10.074 -2.899 1.00 34.22 H new ATOM 0 HB1 ALA A 93 -4.386 -7.918 -2.006 1.00 23.04 H new ATOM 0 HB2 ALA A 93 -2.648 -8.145 -1.696 1.00 23.04 H new ATOM 0 HB3 ALA A 93 -3.185 -7.060 -3.001 1.00 23.04 H new ATOM 1456 N LEU A 94 -4.317 -7.998 -5.362 1.00 21.31 N ATOM 1457 CA LEU A 94 -5.296 -7.735 -6.411 1.00 33.14 C ATOM 1458 C LEU A 94 -5.604 -9.004 -7.199 1.00 43.25 C ATOM 1459 O LEU A 94 -6.758 -9.422 -7.299 1.00 12.24 O ATOM 1460 CB LEU A 94 -4.782 -6.646 -7.354 1.00 74.20 C ATOM 1461 CG LEU A 94 -4.792 -5.220 -6.802 1.00 20.32 C ATOM 1462 CD1 LEU A 94 -6.132 -4.907 -6.155 1.00 33.40 C ATOM 1463 CD2 LEU A 94 -3.659 -5.027 -5.805 1.00 45.20 C ATOM 0 H LEU A 94 -3.518 -7.364 -5.363 1.00 21.31 H new ATOM 0 HA LEU A 94 -6.216 -7.392 -5.938 1.00 33.14 H new ATOM 0 HB2 LEU A 94 -3.761 -6.895 -7.642 1.00 74.20 H new ATOM 0 HB3 LEU A 94 -5.384 -6.667 -8.263 1.00 74.20 H new ATOM 0 HG LEU A 94 -4.642 -4.529 -7.631 1.00 20.32 H new ATOM 0 HD11 LEU A 94 -6.120 -3.888 -5.768 1.00 33.40 H new ATOM 0 HD12 LEU A 94 -6.925 -5.004 -6.896 1.00 33.40 H new ATOM 0 HD13 LEU A 94 -6.312 -5.604 -5.336 1.00 33.40 H new ATOM 0 HD21 LEU A 94 -3.681 -4.007 -5.422 1.00 45.20 H new ATOM 0 HD22 LEU A 94 -3.778 -5.727 -4.978 1.00 45.20 H new ATOM 0 HD23 LEU A 94 -2.705 -5.209 -6.299 1.00 45.20 H new ATOM 1475 N LEU A 95 -4.564 -9.614 -7.757 1.00 42.34 N ATOM 1476 CA LEU A 95 -4.722 -10.837 -8.536 1.00 62.21 C ATOM 1477 C LEU A 95 -5.523 -11.877 -7.760 1.00 34.12 C ATOM 1478 O LEU A 95 -6.231 -12.696 -8.346 1.00 73.13 O ATOM 1479 CB LEU A 95 -3.353 -11.407 -8.910 1.00 65.42 C ATOM 1480 CG LEU A 95 -2.710 -10.835 -10.174 1.00 61.33 C ATOM 1481 CD1 LEU A 95 -1.240 -11.219 -10.246 1.00 51.04 C ATOM 1482 CD2 LEU A 95 -3.450 -11.317 -11.414 1.00 11.23 C ATOM 0 H LEU A 95 -3.602 -9.282 -7.684 1.00 42.34 H new ATOM 0 HA LEU A 95 -5.268 -10.590 -9.447 1.00 62.21 H new ATOM 0 HB2 LEU A 95 -2.673 -11.243 -8.074 1.00 65.42 H new ATOM 0 HB3 LEU A 95 -3.452 -12.485 -9.033 1.00 65.42 H new ATOM 0 HG LEU A 95 -2.779 -9.748 -10.133 1.00 61.33 H new ATOM 0 HD11 LEU A 95 -0.799 -10.803 -11.152 1.00 51.04 H new ATOM 0 HD12 LEU A 95 -0.718 -10.825 -9.374 1.00 51.04 H new ATOM 0 HD13 LEU A 95 -1.148 -12.305 -10.263 1.00 51.04 H new ATOM 0 HD21 LEU A 95 -2.979 -10.900 -12.304 1.00 11.23 H new ATOM 0 HD22 LEU A 95 -3.413 -12.405 -11.460 1.00 11.23 H new ATOM 0 HD23 LEU A 95 -4.489 -10.991 -11.367 1.00 11.23 H new ATOM 1494 N LYS A 96 -5.409 -11.837 -6.437 1.00 33.54 N ATOM 1495 CA LYS A 96 -6.126 -12.773 -5.578 1.00 25.30 C ATOM 1496 C LYS A 96 -7.554 -12.300 -5.330 1.00 74.34 C ATOM 1497 O LYS A 96 -8.471 -13.109 -5.188 1.00 35.41 O ATOM 1498 CB LYS A 96 -5.393 -12.937 -4.244 1.00 40.04 C ATOM 1499 CG LYS A 96 -4.049 -13.634 -4.370 1.00 73.00 C ATOM 1500 CD LYS A 96 -4.186 -14.994 -5.034 1.00 54.34 C ATOM 1501 CE LYS A 96 -3.922 -14.912 -6.530 1.00 62.40 C ATOM 1502 NZ LYS A 96 -2.716 -15.693 -6.923 1.00 74.43 N ATOM 0 H LYS A 96 -4.827 -11.166 -5.936 1.00 33.54 H new ATOM 0 HA LYS A 96 -6.164 -13.737 -6.086 1.00 25.30 H new ATOM 0 HB2 LYS A 96 -5.243 -11.954 -3.798 1.00 40.04 H new ATOM 0 HB3 LYS A 96 -6.024 -13.504 -3.560 1.00 40.04 H new ATOM 0 HG2 LYS A 96 -3.368 -13.011 -4.951 1.00 73.00 H new ATOM 0 HG3 LYS A 96 -3.606 -13.754 -3.381 1.00 73.00 H new ATOM 0 HD2 LYS A 96 -3.487 -15.695 -4.578 1.00 54.34 H new ATOM 0 HD3 LYS A 96 -5.189 -15.385 -4.861 1.00 54.34 H new ATOM 0 HE2 LYS A 96 -4.790 -15.286 -7.073 1.00 62.40 H new ATOM 0 HE3 LYS A 96 -3.790 -13.869 -6.819 1.00 62.40 H new ATOM 0 HZ1 LYS A 96 -2.569 -15.612 -7.949 1.00 74.43 H new ATOM 0 HZ2 LYS A 96 -1.883 -15.320 -6.424 1.00 74.43 H new ATOM 0 HZ3 LYS A 96 -2.852 -16.693 -6.670 1.00 74.43 H new ATOM 1516 N LYS A 97 -7.737 -10.985 -5.282 1.00 34.22 N ATOM 1517 CA LYS A 97 -9.055 -10.403 -5.054 1.00 61.45 C ATOM 1518 C LYS A 97 -9.980 -10.672 -6.237 1.00 62.32 C ATOM 1519 O LYS A 97 -11.167 -10.950 -6.060 1.00 24.34 O ATOM 1520 CB LYS A 97 -8.936 -8.896 -4.819 1.00 43.00 C ATOM 1521 CG LYS A 97 -8.304 -8.537 -3.485 1.00 53.31 C ATOM 1522 CD LYS A 97 -9.044 -9.183 -2.326 1.00 31.21 C ATOM 1523 CE LYS A 97 -8.281 -10.379 -1.775 1.00 55.44 C ATOM 1524 NZ LYS A 97 -8.830 -10.831 -0.467 1.00 24.41 N ATOM 0 H LYS A 97 -6.989 -10.301 -5.398 1.00 34.22 H new ATOM 0 HA LYS A 97 -9.483 -10.870 -4.167 1.00 61.45 H new ATOM 0 HB2 LYS A 97 -8.344 -8.457 -5.622 1.00 43.00 H new ATOM 0 HB3 LYS A 97 -9.928 -8.449 -4.874 1.00 43.00 H new ATOM 0 HG2 LYS A 97 -7.262 -8.858 -3.477 1.00 53.31 H new ATOM 0 HG3 LYS A 97 -8.305 -7.454 -3.360 1.00 53.31 H new ATOM 0 HD2 LYS A 97 -9.194 -8.449 -1.534 1.00 31.21 H new ATOM 0 HD3 LYS A 97 -10.033 -9.501 -2.656 1.00 31.21 H new ATOM 0 HE2 LYS A 97 -8.326 -11.200 -2.491 1.00 55.44 H new ATOM 0 HE3 LYS A 97 -7.230 -10.116 -1.657 1.00 55.44 H new ATOM 0 HZ1 LYS A 97 -8.103 -11.368 0.048 1.00 24.41 H new ATOM 0 HZ2 LYS A 97 -9.112 -10.003 0.096 1.00 24.41 H new ATOM 0 HZ3 LYS A 97 -9.659 -11.438 -0.629 1.00 24.41 H new ATOM 1538 N LEU A 98 -9.430 -10.589 -7.443 1.00 64.44 N ATOM 1539 CA LEU A 98 -10.205 -10.826 -8.656 1.00 53.51 C ATOM 1540 C LEU A 98 -10.695 -12.269 -8.717 1.00 12.32 C ATOM 1541 O LEU A 98 -10.513 -13.037 -7.772 1.00 40.20 O ATOM 1542 CB LEU A 98 -9.364 -10.508 -9.893 1.00 64.24 C ATOM 1543 CG LEU A 98 -8.548 -9.216 -9.837 1.00 51.01 C ATOM 1544 CD1 LEU A 98 -7.218 -9.392 -10.553 1.00 72.34 C ATOM 1545 CD2 LEU A 98 -9.334 -8.063 -10.444 1.00 1.44 C ATOM 0 H LEU A 98 -8.450 -10.359 -7.607 1.00 64.44 H new ATOM 0 HA LEU A 98 -11.074 -10.168 -8.636 1.00 53.51 H new ATOM 0 HB2 LEU A 98 -8.680 -11.339 -10.066 1.00 64.24 H new ATOM 0 HB3 LEU A 98 -10.028 -10.457 -10.756 1.00 64.24 H new ATOM 0 HG LEU A 98 -8.346 -8.982 -8.792 1.00 51.01 H new ATOM 0 HD11 LEU A 98 -6.652 -8.462 -10.502 1.00 72.34 H new ATOM 0 HD12 LEU A 98 -6.650 -10.189 -10.074 1.00 72.34 H new ATOM 0 HD13 LEU A 98 -7.398 -9.651 -11.596 1.00 72.34 H new ATOM 0 HD21 LEU A 98 -8.738 -7.151 -10.396 1.00 1.44 H new ATOM 0 HD22 LEU A 98 -9.567 -8.290 -11.484 1.00 1.44 H new ATOM 0 HD23 LEU A 98 -10.260 -7.921 -9.887 1.00 1.44 H new ATOM 1557 N ASP A 99 -11.315 -12.631 -9.834 1.00 55.12 N ATOM 1558 CA ASP A 99 -11.829 -13.983 -10.020 1.00 22.20 C ATOM 1559 C ASP A 99 -11.401 -14.546 -11.372 1.00 22.03 C ATOM 1560 O ASP A 99 -11.956 -14.187 -12.409 1.00 43.51 O ATOM 1561 CB ASP A 99 -13.354 -13.992 -9.910 1.00 33.12 C ATOM 1562 CG ASP A 99 -13.930 -15.394 -9.956 1.00 2.13 C ATOM 1563 OD1 ASP A 99 -13.140 -16.357 -10.043 1.00 21.50 O ATOM 1564 OD2 ASP A 99 -15.170 -15.528 -9.903 1.00 51.54 O ATOM 0 H ASP A 99 -11.474 -12.007 -10.625 1.00 55.12 H new ATOM 0 HA ASP A 99 -11.412 -14.614 -9.235 1.00 22.20 H new ATOM 0 HB2 ASP A 99 -13.651 -13.511 -8.978 1.00 33.12 H new ATOM 0 HB3 ASP A 99 -13.777 -13.402 -10.723 1.00 33.12 H new ATOM 1569 N GLY A 100 -10.408 -15.431 -11.351 1.00 54.24 N ATOM 1570 CA GLY A 100 -9.922 -16.028 -12.581 1.00 62.13 C ATOM 1571 C GLY A 100 -8.759 -15.260 -13.178 1.00 71.32 C ATOM 1572 O GLY A 100 -8.000 -15.798 -13.984 1.00 51.21 O ATOM 0 H GLY A 100 -9.932 -15.744 -10.505 1.00 54.24 H new ATOM 0 HA2 GLY A 100 -9.613 -17.055 -12.386 1.00 62.13 H new ATOM 0 HA3 GLY A 100 -10.735 -16.072 -13.306 1.00 62.13 H new ATOM 1576 N ALA A 101 -8.620 -13.999 -12.783 1.00 62.03 N ATOM 1577 CA ALA A 101 -7.541 -13.156 -13.284 1.00 72.34 C ATOM 1578 C ALA A 101 -6.196 -13.866 -13.179 1.00 62.34 C ATOM 1579 O ALA A 101 -5.712 -14.144 -12.081 1.00 72.34 O ATOM 1580 CB ALA A 101 -7.505 -11.838 -12.525 1.00 73.15 C ATOM 0 H ALA A 101 -9.241 -13.538 -12.118 1.00 62.03 H new ATOM 0 HA ALA A 101 -7.733 -12.951 -14.337 1.00 72.34 H new ATOM 0 HB1 ALA A 101 -6.695 -11.219 -12.910 1.00 73.15 H new ATOM 0 HB2 ALA A 101 -8.453 -11.317 -12.656 1.00 73.15 H new ATOM 0 HB3 ALA A 101 -7.341 -12.033 -11.465 1.00 73.15 H new ATOM 1586 N THR A 102 -5.595 -14.159 -14.329 1.00 4.44 N ATOM 1587 CA THR A 102 -4.306 -14.838 -14.366 1.00 3.12 C ATOM 1588 C THR A 102 -3.166 -13.844 -14.555 1.00 25.03 C ATOM 1589 O THR A 102 -3.351 -12.637 -14.407 1.00 13.50 O ATOM 1590 CB THR A 102 -4.254 -15.882 -15.497 1.00 23.53 C ATOM 1591 OG1 THR A 102 -4.062 -15.231 -16.757 1.00 42.31 O ATOM 1592 CG2 THR A 102 -5.534 -16.703 -15.534 1.00 61.53 C ATOM 0 H THR A 102 -5.981 -13.936 -15.247 1.00 4.44 H new ATOM 0 HA THR A 102 -4.188 -15.344 -13.408 1.00 3.12 H new ATOM 0 HB THR A 102 -3.416 -16.552 -15.304 1.00 23.53 H new ATOM 0 HG1 THR A 102 -4.028 -15.902 -17.470 1.00 42.31 H new ATOM 0 HG21 THR A 102 -5.474 -17.434 -16.341 1.00 61.53 H new ATOM 0 HG22 THR A 102 -5.661 -17.221 -14.584 1.00 61.53 H new ATOM 0 HG23 THR A 102 -6.385 -16.043 -15.704 1.00 61.53 H new ATOM 1600 N ALA A 103 -1.985 -14.360 -14.883 1.00 14.33 N ATOM 1601 CA ALA A 103 -0.816 -13.516 -15.095 1.00 25.54 C ATOM 1602 C ALA A 103 -0.763 -13.001 -16.529 1.00 24.21 C ATOM 1603 O ALA A 103 0.266 -12.497 -16.981 1.00 33.33 O ATOM 1604 CB ALA A 103 0.455 -14.283 -14.760 1.00 64.30 C ATOM 0 H ALA A 103 -1.813 -15.358 -15.007 1.00 14.33 H new ATOM 0 HA ALA A 103 -0.894 -12.655 -14.431 1.00 25.54 H new ATOM 0 HB1 ALA A 103 1.321 -13.641 -14.923 1.00 64.30 H new ATOM 0 HB2 ALA A 103 0.426 -14.596 -13.716 1.00 64.30 H new ATOM 0 HB3 ALA A 103 0.529 -15.162 -15.401 1.00 64.30 H new ATOM 1610 N VAL A 104 -1.877 -13.132 -17.241 1.00 54.41 N ATOM 1611 CA VAL A 104 -1.958 -12.679 -18.625 1.00 10.34 C ATOM 1612 C VAL A 104 -2.025 -11.158 -18.702 1.00 5.50 C ATOM 1613 O VAL A 104 -2.000 -10.579 -19.788 1.00 72.40 O ATOM 1614 CB VAL A 104 -3.187 -13.272 -19.339 1.00 22.21 C ATOM 1615 CG1 VAL A 104 -4.472 -12.739 -18.724 1.00 4.05 C ATOM 1616 CG2 VAL A 104 -3.134 -12.970 -20.829 1.00 31.12 C ATOM 0 H VAL A 104 -2.737 -13.548 -16.883 1.00 54.41 H new ATOM 0 HA VAL A 104 -1.054 -13.026 -19.125 1.00 10.34 H new ATOM 0 HB VAL A 104 -3.173 -14.354 -19.210 1.00 22.21 H new ATOM 0 HG11 VAL A 104 -5.329 -13.169 -19.242 1.00 4.05 H new ATOM 0 HG12 VAL A 104 -4.511 -13.012 -17.669 1.00 4.05 H new ATOM 0 HG13 VAL A 104 -4.498 -11.653 -18.819 1.00 4.05 H new ATOM 0 HG21 VAL A 104 -4.010 -13.396 -21.318 1.00 31.12 H new ATOM 0 HG22 VAL A 104 -3.123 -11.891 -20.981 1.00 31.12 H new ATOM 0 HG23 VAL A 104 -2.231 -13.406 -21.257 1.00 31.12 H new ATOM 1626 N ALA A 105 -2.108 -10.515 -17.542 1.00 11.32 N ATOM 1627 CA ALA A 105 -2.176 -9.060 -17.478 1.00 25.14 C ATOM 1628 C ALA A 105 -0.970 -8.424 -18.161 1.00 4.14 C ATOM 1629 O ALA A 105 -0.034 -9.117 -18.563 1.00 52.24 O ATOM 1630 CB ALA A 105 -2.269 -8.599 -16.030 1.00 62.45 C ATOM 0 H ALA A 105 -2.130 -10.979 -16.634 1.00 11.32 H new ATOM 0 HA ALA A 105 -3.073 -8.739 -18.008 1.00 25.14 H new ATOM 0 HB1 ALA A 105 -2.319 -7.511 -15.997 1.00 62.45 H new ATOM 0 HB2 ALA A 105 -3.165 -9.017 -15.572 1.00 62.45 H new ATOM 0 HB3 ALA A 105 -1.389 -8.938 -15.483 1.00 62.45 H new ATOM 1636 N LEU A 106 -0.997 -7.102 -18.289 1.00 34.03 N ATOM 1637 CA LEU A 106 0.094 -6.372 -18.924 1.00 40.21 C ATOM 1638 C LEU A 106 0.400 -5.083 -18.168 1.00 22.24 C ATOM 1639 O LEU A 106 -0.498 -4.449 -17.616 1.00 1.53 O ATOM 1640 CB LEU A 106 -0.259 -6.052 -20.378 1.00 4.22 C ATOM 1641 CG LEU A 106 0.876 -6.200 -21.392 1.00 2.20 C ATOM 1642 CD1 LEU A 106 1.968 -5.176 -21.124 1.00 64.10 C ATOM 1643 CD2 LEU A 106 1.444 -7.611 -21.354 1.00 44.13 C ATOM 0 H LEU A 106 -1.763 -6.514 -17.961 1.00 34.03 H new ATOM 0 HA LEU A 106 0.982 -7.004 -18.902 1.00 40.21 H new ATOM 0 HB2 LEU A 106 -1.079 -6.702 -20.683 1.00 4.22 H new ATOM 0 HB3 LEU A 106 -0.629 -5.028 -20.424 1.00 4.22 H new ATOM 0 HG LEU A 106 0.473 -6.019 -22.389 1.00 2.20 H new ATOM 0 HD11 LEU A 106 2.767 -5.297 -21.855 1.00 64.10 H new ATOM 0 HD12 LEU A 106 1.552 -4.172 -21.203 1.00 64.10 H new ATOM 0 HD13 LEU A 106 2.368 -5.325 -20.121 1.00 64.10 H new ATOM 0 HD21 LEU A 106 2.251 -7.698 -22.082 1.00 44.13 H new ATOM 0 HD22 LEU A 106 1.831 -7.821 -20.357 1.00 44.13 H new ATOM 0 HD23 LEU A 106 0.658 -8.326 -21.596 1.00 44.13 H new ATOM 1655 N GLU A 107 1.674 -4.702 -18.149 1.00 33.32 N ATOM 1656 CA GLU A 107 2.097 -3.488 -17.461 1.00 61.20 C ATOM 1657 C GLU A 107 3.250 -2.817 -18.202 1.00 22.21 C ATOM 1658 O GLU A 107 4.410 -3.194 -18.038 1.00 61.10 O ATOM 1659 CB GLU A 107 2.517 -3.809 -16.025 1.00 40.01 C ATOM 1660 CG GLU A 107 1.681 -4.899 -15.375 1.00 52.43 C ATOM 1661 CD GLU A 107 2.160 -6.292 -15.732 1.00 75.43 C ATOM 1662 OE1 GLU A 107 3.380 -6.469 -15.928 1.00 71.15 O ATOM 1663 OE2 GLU A 107 1.313 -7.207 -15.815 1.00 53.31 O ATOM 0 H GLU A 107 2.430 -5.216 -18.602 1.00 33.32 H new ATOM 0 HA GLU A 107 1.252 -2.800 -17.439 1.00 61.20 H new ATOM 0 HB2 GLU A 107 3.563 -4.114 -16.021 1.00 40.01 H new ATOM 0 HB3 GLU A 107 2.447 -2.902 -15.424 1.00 40.01 H new ATOM 0 HG2 GLU A 107 1.708 -4.776 -14.292 1.00 52.43 H new ATOM 0 HG3 GLU A 107 0.641 -4.786 -15.682 1.00 52.43 H new ATOM 1670 N ALA A 108 2.921 -1.821 -19.018 1.00 25.11 N ATOM 1671 CA ALA A 108 3.928 -1.096 -19.783 1.00 25.30 C ATOM 1672 C ALA A 108 3.589 0.388 -19.870 1.00 22.24 C ATOM 1673 O ALA A 108 2.421 0.772 -19.811 1.00 53.33 O ATOM 1674 CB ALA A 108 4.062 -1.692 -21.177 1.00 13.51 C ATOM 0 H ALA A 108 1.965 -1.498 -19.166 1.00 25.11 H new ATOM 0 HA ALA A 108 4.882 -1.194 -19.265 1.00 25.30 H new ATOM 0 HB1 ALA A 108 4.817 -1.141 -21.737 1.00 13.51 H new ATOM 0 HB2 ALA A 108 4.359 -2.738 -21.099 1.00 13.51 H new ATOM 0 HB3 ALA A 108 3.105 -1.625 -21.695 1.00 13.51 H new ATOM 1680 N HIS A 109 4.618 1.218 -20.008 1.00 52.35 N ATOM 1681 CA HIS A 109 4.428 2.661 -20.103 1.00 10.40 C ATOM 1682 C HIS A 109 4.542 3.131 -21.550 1.00 73.43 C ATOM 1683 O HIS A 109 5.643 3.295 -22.074 1.00 11.21 O ATOM 1684 CB HIS A 109 5.455 3.390 -19.236 1.00 43.02 C ATOM 1685 CG HIS A 109 6.858 2.905 -19.434 1.00 62.35 C ATOM 1686 ND1 HIS A 109 7.375 1.808 -18.778 1.00 71.41 N ATOM 1687 CD2 HIS A 109 7.854 3.373 -20.223 1.00 31.11 C ATOM 1688 CE1 HIS A 109 8.628 1.623 -19.153 1.00 2.01 C ATOM 1689 NE2 HIS A 109 8.943 2.559 -20.030 1.00 1.43 N ATOM 0 H HIS A 109 5.591 0.916 -20.057 1.00 52.35 H new ATOM 0 HA HIS A 109 3.427 2.895 -19.742 1.00 10.40 H new ATOM 0 HB2 HIS A 109 5.413 4.457 -19.457 1.00 43.02 H new ATOM 0 HB3 HIS A 109 5.183 3.271 -18.187 1.00 43.02 H new ATOM 0 HD2 HIS A 109 7.802 4.227 -20.882 1.00 31.11 H new ATOM 0 HE1 HIS A 109 9.283 0.840 -18.802 1.00 2.01 H new ATOM 0 HE2 HIS A 109 9.848 2.661 -20.489 1.00 1.43 H new ATOM 1697 N GLU A 110 3.396 3.343 -22.190 1.00 50.23 N ATOM 1698 CA GLU A 110 3.369 3.792 -23.577 1.00 75.25 C ATOM 1699 C GLU A 110 1.988 4.325 -23.950 1.00 30.23 C ATOM 1700 O GLU A 110 0.993 3.605 -23.875 1.00 55.22 O ATOM 1701 CB GLU A 110 3.755 2.646 -24.515 1.00 74.20 C ATOM 1702 CG GLU A 110 3.181 1.301 -24.101 1.00 2.11 C ATOM 1703 CD GLU A 110 3.053 0.338 -25.265 1.00 52.12 C ATOM 1704 OE1 GLU A 110 3.391 0.733 -26.401 1.00 25.22 O ATOM 1705 OE2 GLU A 110 2.614 -0.809 -25.041 1.00 73.24 O ATOM 0 H GLU A 110 2.476 3.211 -21.771 1.00 50.23 H new ATOM 0 HA GLU A 110 4.093 4.600 -23.684 1.00 75.25 H new ATOM 0 HB2 GLU A 110 3.414 2.882 -25.523 1.00 74.20 H new ATOM 0 HB3 GLU A 110 4.842 2.571 -24.555 1.00 74.20 H new ATOM 0 HG2 GLU A 110 3.819 0.858 -23.336 1.00 2.11 H new ATOM 0 HG3 GLU A 110 2.200 1.452 -23.650 1.00 2.11 H new ATOM 1712 N MET A 111 1.937 5.591 -24.350 1.00 3.22 N ATOM 1713 CA MET A 111 0.679 6.221 -24.734 1.00 64.03 C ATOM 1714 C MET A 111 -0.032 5.404 -25.808 1.00 63.22 C ATOM 1715 O MET A 111 -1.260 5.341 -25.843 1.00 1.53 O ATOM 1716 CB MET A 111 0.930 7.643 -25.241 1.00 21.40 C ATOM 1717 CG MET A 111 -0.284 8.275 -25.902 1.00 62.13 C ATOM 1718 SD MET A 111 -0.028 10.014 -26.305 1.00 72.45 S ATOM 1719 CE MET A 111 0.579 9.886 -27.986 1.00 32.13 C ATOM 0 H MET A 111 2.752 6.201 -24.417 1.00 3.22 H new ATOM 0 HA MET A 111 0.039 6.265 -23.853 1.00 64.03 H new ATOM 0 HB2 MET A 111 1.245 8.268 -24.405 1.00 21.40 H new ATOM 0 HB3 MET A 111 1.754 7.626 -25.954 1.00 21.40 H new ATOM 0 HG2 MET A 111 -0.524 7.726 -26.813 1.00 62.13 H new ATOM 0 HG3 MET A 111 -1.144 8.182 -25.238 1.00 62.13 H new ATOM 0 HE1 MET A 111 0.784 10.883 -28.376 1.00 32.13 H new ATOM 0 HE2 MET A 111 1.496 9.296 -27.998 1.00 32.13 H new ATOM 0 HE3 MET A 111 -0.173 9.401 -28.608 1.00 32.13 H new ATOM 1729 N GLY A 112 0.749 4.779 -26.684 1.00 61.52 N ATOM 1730 CA GLY A 112 0.176 3.974 -27.747 1.00 53.23 C ATOM 1731 C GLY A 112 -0.592 2.778 -27.220 1.00 11.42 C ATOM 1732 O GLY A 112 -1.343 2.140 -27.957 1.00 55.13 O ATOM 0 H GLY A 112 1.768 4.816 -26.676 1.00 61.52 H new ATOM 0 HA2 GLY A 112 -0.490 4.593 -28.348 1.00 53.23 H new ATOM 0 HA3 GLY A 112 0.972 3.629 -28.406 1.00 53.23 H new ATOM 1736 N ASP A 113 -0.403 2.473 -25.941 1.00 65.00 N ATOM 1737 CA ASP A 113 -1.083 1.345 -25.315 1.00 63.13 C ATOM 1738 C ASP A 113 -2.479 1.744 -24.848 1.00 71.41 C ATOM 1739 O ASP A 113 -3.403 0.929 -24.851 1.00 62.33 O ATOM 1740 CB ASP A 113 -0.266 0.821 -24.133 1.00 1.41 C ATOM 1741 CG ASP A 113 -0.968 -0.302 -23.396 1.00 54.02 C ATOM 1742 OD1 ASP A 113 -1.435 -1.249 -24.064 1.00 23.35 O ATOM 1743 OD2 ASP A 113 -1.051 -0.234 -22.152 1.00 72.42 O ATOM 0 H ASP A 113 0.216 2.991 -25.317 1.00 65.00 H new ATOM 0 HA ASP A 113 -1.180 0.553 -26.058 1.00 63.13 H new ATOM 0 HB2 ASP A 113 0.701 0.468 -24.492 1.00 1.41 H new ATOM 0 HB3 ASP A 113 -0.069 1.639 -23.440 1.00 1.41 H new ATOM 1748 N LEU A 114 -2.626 3.001 -24.446 1.00 11.11 N ATOM 1749 CA LEU A 114 -3.910 3.508 -23.974 1.00 51.44 C ATOM 1750 C LEU A 114 -4.901 3.637 -25.127 1.00 11.13 C ATOM 1751 O LEU A 114 -6.114 3.621 -24.920 1.00 31.12 O ATOM 1752 CB LEU A 114 -3.725 4.865 -23.292 1.00 32.22 C ATOM 1753 CG LEU A 114 -4.164 4.946 -21.829 1.00 72.33 C ATOM 1754 CD1 LEU A 114 -5.632 4.574 -21.691 1.00 54.34 C ATOM 1755 CD2 LEU A 114 -3.300 4.042 -20.962 1.00 62.23 C ATOM 0 H LEU A 114 -1.872 3.688 -24.437 1.00 11.11 H new ATOM 0 HA LEU A 114 -4.311 2.797 -23.252 1.00 51.44 H new ATOM 0 HB2 LEU A 114 -2.671 5.138 -23.350 1.00 32.22 H new ATOM 0 HB3 LEU A 114 -4.280 5.613 -23.859 1.00 32.22 H new ATOM 0 HG LEU A 114 -4.037 5.973 -21.488 1.00 72.33 H new ATOM 0 HD11 LEU A 114 -5.926 4.637 -20.643 1.00 54.34 H new ATOM 0 HD12 LEU A 114 -6.239 5.261 -22.281 1.00 54.34 H new ATOM 0 HD13 LEU A 114 -5.785 3.556 -22.050 1.00 54.34 H new ATOM 0 HD21 LEU A 114 -3.627 4.112 -19.924 1.00 62.23 H new ATOM 0 HD22 LEU A 114 -3.395 3.011 -21.303 1.00 62.23 H new ATOM 0 HD23 LEU A 114 -2.258 4.354 -21.036 1.00 62.23 H new ATOM 1767 N ALA A 115 -4.376 3.763 -26.341 1.00 22.11 N ATOM 1768 CA ALA A 115 -5.214 3.890 -27.527 1.00 31.24 C ATOM 1769 C ALA A 115 -6.115 2.671 -27.695 1.00 10.01 C ATOM 1770 O ALA A 115 -7.341 2.760 -27.622 1.00 2.31 O ATOM 1771 CB ALA A 115 -4.351 4.086 -28.764 1.00 74.34 C ATOM 0 H ALA A 115 -3.374 3.780 -26.529 1.00 22.11 H new ATOM 0 HA ALA A 115 -5.851 4.765 -27.400 1.00 31.24 H new ATOM 0 HB1 ALA A 115 -4.990 4.179 -29.642 1.00 74.34 H new ATOM 0 HB2 ALA A 115 -3.754 4.991 -28.652 1.00 74.34 H new ATOM 0 HB3 ALA A 115 -3.690 3.228 -28.886 1.00 74.34 H new ATOM 1777 N PRO A 116 -5.496 1.504 -27.926 1.00 61.14 N ATOM 1778 CA PRO A 116 -6.224 0.245 -28.110 1.00 65.42 C ATOM 1779 C PRO A 116 -6.873 -0.244 -26.820 1.00 4.54 C ATOM 1780 O PRO A 116 -8.028 -0.671 -26.817 1.00 2.04 O ATOM 1781 CB PRO A 116 -5.135 -0.731 -28.564 1.00 22.25 C ATOM 1782 CG PRO A 116 -3.870 -0.171 -28.011 1.00 42.43 C ATOM 1783 CD PRO A 116 -4.038 1.324 -28.026 1.00 62.40 C ATOM 0 HA PRO A 116 -7.045 0.349 -28.819 1.00 65.42 H new ATOM 0 HB2 PRO A 116 -5.322 -1.736 -28.186 1.00 22.25 H new ATOM 0 HB3 PRO A 116 -5.095 -0.802 -29.651 1.00 22.25 H new ATOM 0 HG2 PRO A 116 -3.692 -0.534 -26.999 1.00 42.43 H new ATOM 0 HG3 PRO A 116 -3.013 -0.474 -28.613 1.00 42.43 H new ATOM 0 HD2 PRO A 116 -3.517 1.795 -27.193 1.00 62.40 H new ATOM 0 HD3 PRO A 116 -3.640 1.764 -28.941 1.00 62.40 H new ATOM 1791 N LEU A 117 -6.124 -0.177 -25.724 1.00 43.04 N ATOM 1792 CA LEU A 117 -6.627 -0.612 -24.426 1.00 3.10 C ATOM 1793 C LEU A 117 -6.790 -2.128 -24.385 1.00 54.14 C ATOM 1794 O LEU A 117 -6.048 -2.824 -23.694 1.00 23.00 O ATOM 1795 CB LEU A 117 -7.964 0.065 -24.122 1.00 53.23 C ATOM 1796 CG LEU A 117 -8.356 0.146 -22.646 1.00 41.14 C ATOM 1797 CD1 LEU A 117 -8.582 -1.246 -22.077 1.00 4.10 C ATOM 1798 CD2 LEU A 117 -7.288 0.883 -21.851 1.00 13.10 C ATOM 0 H LEU A 117 -5.167 0.174 -25.709 1.00 43.04 H new ATOM 0 HA LEU A 117 -5.900 -0.323 -23.667 1.00 3.10 H new ATOM 0 HB2 LEU A 117 -7.936 1.077 -24.526 1.00 53.23 H new ATOM 0 HB3 LEU A 117 -8.749 -0.470 -24.657 1.00 53.23 H new ATOM 0 HG LEU A 117 -9.289 0.704 -22.567 1.00 41.14 H new ATOM 0 HD11 LEU A 117 -8.860 -1.169 -21.026 1.00 4.10 H new ATOM 0 HD12 LEU A 117 -9.382 -1.739 -22.629 1.00 4.10 H new ATOM 0 HD13 LEU A 117 -7.666 -1.829 -22.168 1.00 4.10 H new ATOM 0 HD21 LEU A 117 -7.583 0.931 -20.803 1.00 13.10 H new ATOM 0 HD22 LEU A 117 -6.340 0.353 -21.937 1.00 13.10 H new ATOM 0 HD23 LEU A 117 -7.175 1.894 -22.243 1.00 13.10 H new ATOM 1810 N ALA A 118 -7.767 -2.633 -25.133 1.00 4.32 N ATOM 1811 CA ALA A 118 -8.025 -4.066 -25.186 1.00 21.24 C ATOM 1812 C ALA A 118 -7.884 -4.598 -26.608 1.00 4.51 C ATOM 1813 O ALA A 118 -7.177 -5.577 -26.847 1.00 61.44 O ATOM 1814 CB ALA A 118 -9.412 -4.373 -24.641 1.00 11.11 C ATOM 0 H ALA A 118 -8.392 -2.070 -25.710 1.00 4.32 H new ATOM 0 HA ALA A 118 -7.283 -4.566 -24.564 1.00 21.24 H new ATOM 0 HB1 ALA A 118 -9.591 -5.447 -24.687 1.00 11.11 H new ATOM 0 HB2 ALA A 118 -9.479 -4.038 -23.606 1.00 11.11 H new ATOM 0 HB3 ALA A 118 -10.161 -3.854 -25.239 1.00 11.11 H new TER 1820 ALA A 118