USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 LYS NZ :NH3+ -117:sc= 1.06 (180deg=-0.752) USER MOD Set 1.2: A 75 THR OG1 : rot 90:sc= 0.953 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc=-0.00443 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 124:sc= 1.14 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= 0.691 USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0601 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.226! USER MOD Single : A 6 SER OG : rot 46:sc= 1.05 USER MOD Single : A 9 SER OG : rot -45:sc= 0.416 USER MOD Single : A 13 GLN : amide:sc= -0.0586 K(o=-0.059,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.37) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.119 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 38 ASN : amide:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.967! USER MOD Single : A 45 THR OG1 : rot 67:sc= 0.64 USER MOD Single : A 52 ASN : amide:sc= 0.0363 X(o=0.036,f=-0.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.000646 K(o=-0.00065,f=-0.96) USER MOD Single : A 55 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.024) USER MOD Single : A 58 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.35) USER MOD Single : A 59 ASN : amide:sc= -6.16! C(o=-6.2!,f=-7.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.98 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -174:sc= -1.1 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 113:sc= -0.269 USER MOD Single : A 93 SER OG : rot 77:sc= -0.202 USER MOD Single : A 95 SER OG : rot 166:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= -0.0374 X(o=-0.037,f=-0.037) USER MOD Single : A 98 SER OG : rot 110:sc= -0.54 USER MOD Single : A 100 THR OG1 : rot -144:sc= 0.15 USER MOD Single : A 101 MET CE :methyl -171:sc=-1.49e-05 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.096 -21.126 -11.607 1.00 0.00 N ATOM 2 CA GLY A 1 3.289 -22.318 -11.420 1.00 0.00 C ATOM 3 C GLY A 1 2.408 -22.235 -10.190 1.00 0.00 C ATOM 4 O GLY A 1 2.639 -21.409 -9.307 1.00 0.00 O ATOM 0 H1 GLY A 1 3.627 -20.492 -12.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.208 -20.636 -10.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.032 -21.394 -11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.665 -22.472 -12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.943 -23.186 -11.337 1.00 0.00 H new ATOM 8 N SER A 2 1.393 -23.091 -10.131 1.00 0.00 N ATOM 9 CA SER A 2 0.470 -23.108 -9.002 1.00 0.00 C ATOM 10 C SER A 2 1.193 -23.494 -7.716 1.00 0.00 C ATOM 11 O SER A 2 1.131 -22.778 -6.716 1.00 0.00 O ATOM 12 CB SER A 2 -0.677 -24.084 -9.269 1.00 0.00 C ATOM 13 OG SER A 2 -1.642 -23.512 -10.135 1.00 0.00 O ATOM 0 H SER A 2 1.189 -23.782 -10.852 1.00 0.00 H new ATOM 0 HA SER A 2 0.062 -22.104 -8.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.284 -25.000 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.149 -24.362 -8.327 1.00 0.00 H new ATOM 0 HG SER A 2 -2.364 -24.156 -10.291 1.00 0.00 H new ATOM 19 N SER A 3 1.879 -24.632 -7.748 1.00 0.00 N ATOM 20 CA SER A 3 2.611 -25.117 -6.584 1.00 0.00 C ATOM 21 C SER A 3 3.666 -24.106 -6.146 1.00 0.00 C ATOM 22 O SER A 3 3.657 -23.636 -5.009 1.00 0.00 O ATOM 23 CB SER A 3 3.274 -26.461 -6.895 1.00 0.00 C ATOM 24 OG SER A 3 2.367 -27.533 -6.705 1.00 0.00 O ATOM 0 H SER A 3 1.943 -25.236 -8.568 1.00 0.00 H new ATOM 0 HA SER A 3 1.900 -25.251 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.634 -26.463 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.144 -26.598 -6.253 1.00 0.00 H new ATOM 0 HG SER A 3 2.814 -28.380 -6.912 1.00 0.00 H new ATOM 30 N GLY A 4 4.576 -23.777 -7.058 1.00 0.00 N ATOM 31 CA GLY A 4 5.626 -22.824 -6.748 1.00 0.00 C ATOM 32 C GLY A 4 5.096 -21.579 -6.065 1.00 0.00 C ATOM 33 O GLY A 4 5.582 -21.191 -5.003 1.00 0.00 O ATOM 0 H GLY A 4 4.605 -24.153 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.366 -23.300 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.138 -22.540 -7.668 1.00 0.00 H new ATOM 37 N SER A 5 4.097 -20.951 -6.677 1.00 0.00 N ATOM 38 CA SER A 5 3.505 -19.738 -6.124 1.00 0.00 C ATOM 39 C SER A 5 2.141 -19.466 -6.751 1.00 0.00 C ATOM 40 O SER A 5 2.008 -19.407 -7.973 1.00 0.00 O ATOM 41 CB SER A 5 4.431 -18.543 -6.351 1.00 0.00 C ATOM 42 OG SER A 5 4.389 -18.113 -7.701 1.00 0.00 O ATOM 0 H SER A 5 3.681 -21.262 -7.555 1.00 0.00 H new ATOM 0 HA SER A 5 3.371 -19.885 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.138 -17.723 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.452 -18.815 -6.084 1.00 0.00 H new ATOM 0 HG SER A 5 3.542 -18.393 -8.107 1.00 0.00 H new ATOM 48 N SER A 6 1.130 -19.299 -5.904 1.00 0.00 N ATOM 49 CA SER A 6 -0.225 -19.036 -6.375 1.00 0.00 C ATOM 50 C SER A 6 -0.626 -17.590 -6.098 1.00 0.00 C ATOM 51 O SER A 6 -0.941 -16.835 -7.016 1.00 0.00 O ATOM 52 CB SER A 6 -1.215 -19.989 -5.701 1.00 0.00 C ATOM 53 OG SER A 6 -1.115 -21.295 -6.243 1.00 0.00 O ATOM 0 H SER A 6 1.223 -19.341 -4.889 1.00 0.00 H new ATOM 0 HA SER A 6 -0.247 -19.201 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.021 -20.021 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.231 -19.615 -5.831 1.00 0.00 H new ATOM 0 HG SER A 6 -0.171 -21.551 -6.307 1.00 0.00 H new ATOM 59 N GLY A 7 -0.609 -17.212 -4.823 1.00 0.00 N ATOM 60 CA GLY A 7 -0.972 -15.858 -4.446 1.00 0.00 C ATOM 61 C GLY A 7 -2.390 -15.505 -4.848 1.00 0.00 C ATOM 62 O GLY A 7 -3.000 -16.160 -5.694 1.00 0.00 O ATOM 0 H GLY A 7 -0.350 -17.819 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.864 -15.743 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.280 -15.156 -4.912 1.00 0.00 H new ATOM 66 N PRO A 8 -2.938 -14.447 -4.232 1.00 0.00 N ATOM 67 CA PRO A 8 -4.301 -13.985 -4.514 1.00 0.00 C ATOM 68 C PRO A 8 -4.428 -13.366 -5.901 1.00 0.00 C ATOM 69 O PRO A 8 -3.428 -13.030 -6.535 1.00 0.00 O ATOM 70 CB PRO A 8 -4.548 -12.930 -3.433 1.00 0.00 C ATOM 71 CG PRO A 8 -3.190 -12.441 -3.063 1.00 0.00 C ATOM 72 CD PRO A 8 -2.270 -13.621 -3.213 1.00 0.00 C ATOM 0 HA PRO A 8 -5.020 -14.804 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.173 -12.119 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.063 -13.358 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.881 -11.620 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.176 -12.063 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.274 -13.316 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.152 -14.160 -2.273 1.00 0.00 H new ATOM 80 N SER A 9 -5.664 -13.218 -6.367 1.00 0.00 N ATOM 81 CA SER A 9 -5.921 -12.642 -7.682 1.00 0.00 C ATOM 82 C SER A 9 -6.736 -11.357 -7.562 1.00 0.00 C ATOM 83 O SER A 9 -7.166 -10.786 -8.563 1.00 0.00 O ATOM 84 CB SER A 9 -6.660 -13.647 -8.567 1.00 0.00 C ATOM 85 OG SER A 9 -6.687 -13.215 -9.916 1.00 0.00 O ATOM 0 H SER A 9 -6.503 -13.489 -5.854 1.00 0.00 H new ATOM 0 HA SER A 9 -4.962 -12.402 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.173 -14.620 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.679 -13.777 -8.203 1.00 0.00 H new ATOM 0 HG SER A 9 -6.921 -12.264 -9.950 1.00 0.00 H new ATOM 91 N GLY A 10 -6.944 -10.909 -6.328 1.00 0.00 N ATOM 92 CA GLY A 10 -7.706 -9.695 -6.099 1.00 0.00 C ATOM 93 C GLY A 10 -6.998 -8.733 -5.167 1.00 0.00 C ATOM 94 O GLY A 10 -6.159 -9.140 -4.362 1.00 0.00 O ATOM 0 H GLY A 10 -6.599 -11.364 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.892 -9.201 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.678 -9.954 -5.679 1.00 0.00 H new ATOM 98 N PHE A 11 -7.333 -7.451 -5.275 1.00 0.00 N ATOM 99 CA PHE A 11 -6.721 -6.427 -4.437 1.00 0.00 C ATOM 100 C PHE A 11 -7.749 -5.809 -3.494 1.00 0.00 C ATOM 101 O PHE A 11 -8.952 -5.815 -3.757 1.00 0.00 O ATOM 102 CB PHE A 11 -6.090 -5.337 -5.306 1.00 0.00 C ATOM 103 CG PHE A 11 -6.950 -4.922 -6.465 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.016 -5.699 -7.610 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.693 -3.754 -6.409 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.806 -5.318 -8.678 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.486 -3.368 -7.474 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.543 -4.152 -8.610 1.00 0.00 C ATOM 0 H PHE A 11 -8.025 -7.097 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.943 -6.901 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.883 -4.464 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.132 -5.694 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.444 -6.613 -7.669 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.652 -3.138 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.847 -5.932 -9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.060 -2.455 -7.418 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.162 -3.854 -9.443 1.00 0.00 H new ATOM 118 N PRO A 12 -7.266 -5.264 -2.368 1.00 0.00 N ATOM 119 CA PRO A 12 -8.126 -4.633 -1.362 1.00 0.00 C ATOM 120 C PRO A 12 -8.727 -3.321 -1.855 1.00 0.00 C ATOM 121 O PRO A 12 -8.359 -2.820 -2.917 1.00 0.00 O ATOM 122 CB PRO A 12 -7.173 -4.378 -0.191 1.00 0.00 C ATOM 123 CG PRO A 12 -5.823 -4.284 -0.814 1.00 0.00 C ATOM 124 CD PRO A 12 -5.844 -5.223 -1.989 1.00 0.00 C ATOM 0 HA PRO A 12 -8.981 -5.259 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.431 -3.459 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.217 -5.187 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.611 -3.264 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.045 -4.564 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.221 -4.859 -2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.471 -6.211 -1.720 1.00 0.00 H new ATOM 132 N GLN A 13 -9.653 -2.770 -1.077 1.00 0.00 N ATOM 133 CA GLN A 13 -10.304 -1.516 -1.436 1.00 0.00 C ATOM 134 C GLN A 13 -10.272 -0.533 -0.270 1.00 0.00 C ATOM 135 O GLN A 13 -9.729 -0.832 0.792 1.00 0.00 O ATOM 136 CB GLN A 13 -11.751 -1.773 -1.862 1.00 0.00 C ATOM 137 CG GLN A 13 -11.939 -3.074 -2.624 1.00 0.00 C ATOM 138 CD GLN A 13 -11.609 -2.940 -4.098 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.233 -1.865 -4.567 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.748 -4.034 -4.838 1.00 0.00 N ATOM 0 H GLN A 13 -9.969 -3.172 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.758 -1.078 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.385 -1.786 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.090 -0.945 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.306 -3.844 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.971 -3.408 -2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.062 -4.904 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.540 -4.004 -5.836 1.00 0.00 H new ATOM 149 N ASN A 14 -10.858 0.642 -0.478 1.00 0.00 N ATOM 150 CA ASN A 14 -10.895 1.671 0.556 1.00 0.00 C ATOM 151 C ASN A 14 -9.487 2.146 0.901 1.00 0.00 C ATOM 152 O ASN A 14 -9.223 2.574 2.026 1.00 0.00 O ATOM 153 CB ASN A 14 -11.587 1.136 1.811 1.00 0.00 C ATOM 154 CG ASN A 14 -13.086 1.369 1.789 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.648 1.954 2.715 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.740 0.911 0.728 1.00 0.00 N ATOM 0 H ASN A 14 -11.313 0.905 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.461 2.519 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.389 0.068 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.160 1.617 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.750 1.038 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.233 0.432 -0.016 1.00 0.00 H new ATOM 163 N LEU A 15 -8.587 2.068 -0.072 1.00 0.00 N ATOM 164 CA LEU A 15 -7.205 2.491 0.127 1.00 0.00 C ATOM 165 C LEU A 15 -7.091 4.012 0.100 1.00 0.00 C ATOM 166 O LEU A 15 -7.348 4.646 -0.924 1.00 0.00 O ATOM 167 CB LEU A 15 -6.304 1.881 -0.948 1.00 0.00 C ATOM 168 CG LEU A 15 -4.798 2.024 -0.722 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.353 1.177 0.460 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.031 1.636 -1.978 1.00 0.00 C ATOM 0 H LEU A 15 -8.789 1.716 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.881 2.139 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.539 0.820 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.553 2.339 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.581 3.068 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.279 1.291 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.878 1.502 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.583 0.130 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.961 1.744 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.253 0.600 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.328 2.286 -2.801 1.00 0.00 H new ATOM 182 N HIS A 16 -6.704 4.591 1.231 1.00 0.00 N ATOM 183 CA HIS A 16 -6.553 6.038 1.337 1.00 0.00 C ATOM 184 C HIS A 16 -5.812 6.416 2.616 1.00 0.00 C ATOM 185 O HIS A 16 -5.453 5.552 3.416 1.00 0.00 O ATOM 186 CB HIS A 16 -7.922 6.718 1.307 1.00 0.00 C ATOM 187 CG HIS A 16 -8.922 6.093 2.231 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.012 5.376 1.785 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.990 6.078 3.582 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.709 4.949 2.823 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.110 5.361 3.925 1.00 0.00 N ATOM 0 H HIS A 16 -6.489 4.081 2.088 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.966 6.380 0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.802 7.769 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.311 6.688 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.293 6.543 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.615 4.363 2.778 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.427 5.177 4.877 1.00 0.00 H new ATOM 200 N VAL A 17 -5.584 7.713 2.801 1.00 0.00 N ATOM 201 CA VAL A 17 -4.886 8.205 3.983 1.00 0.00 C ATOM 202 C VAL A 17 -5.859 8.837 4.972 1.00 0.00 C ATOM 203 O VAL A 17 -6.653 9.706 4.610 1.00 0.00 O ATOM 204 CB VAL A 17 -3.808 9.239 3.607 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.060 9.704 4.847 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.847 8.657 2.582 1.00 0.00 C ATOM 0 H VAL A 17 -5.872 8.441 2.148 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.407 7.345 4.450 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.298 10.104 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.302 10.434 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.761 10.162 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.580 8.850 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.092 9.401 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.361 7.775 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.398 8.378 1.684 1.00 0.00 H new ATOM 216 N THR A 18 -5.791 8.396 6.224 1.00 0.00 N ATOM 217 CA THR A 18 -6.666 8.918 7.267 1.00 0.00 C ATOM 218 C THR A 18 -6.051 10.140 7.940 1.00 0.00 C ATOM 219 O THR A 18 -6.739 10.897 8.623 1.00 0.00 O ATOM 220 CB THR A 18 -6.962 7.851 8.337 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.933 8.346 9.266 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.693 7.463 9.081 1.00 0.00 C ATOM 0 H THR A 18 -5.139 7.678 6.541 1.00 0.00 H new ATOM 0 HA THR A 18 -7.599 9.205 6.783 1.00 0.00 H new ATOM 0 HB THR A 18 -7.355 6.966 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.943 9.326 9.238 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.928 6.708 9.832 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.966 7.060 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.274 8.343 9.570 1.00 0.00 H new ATOM 230 N GLY A 19 -4.749 10.326 7.741 1.00 0.00 N ATOM 231 CA GLY A 19 -4.063 11.459 8.336 1.00 0.00 C ATOM 232 C GLY A 19 -2.615 11.554 7.899 1.00 0.00 C ATOM 233 O GLY A 19 -1.708 11.172 8.641 1.00 0.00 O ATOM 0 H GLY A 19 -4.158 9.713 7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.582 12.378 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.107 11.377 9.422 1.00 0.00 H new ATOM 237 N LEU A 20 -2.395 12.062 6.692 1.00 0.00 N ATOM 238 CA LEU A 20 -1.045 12.205 6.156 1.00 0.00 C ATOM 239 C LEU A 20 -0.245 13.225 6.960 1.00 0.00 C ATOM 240 O LEU A 20 -0.780 13.890 7.847 1.00 0.00 O ATOM 241 CB LEU A 20 -1.101 12.627 4.686 1.00 0.00 C ATOM 242 CG LEU A 20 -1.107 14.133 4.420 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.609 14.424 3.015 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.961 14.854 5.453 1.00 0.00 C ATOM 0 H LEU A 20 -3.133 12.382 6.065 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.546 11.239 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.245 12.191 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.997 12.196 4.239 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.084 14.501 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.606 15.500 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.957 13.939 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.624 14.041 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.954 15.925 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.984 14.482 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.558 14.673 6.449 1.00 0.00 H new ATOM 256 N THR A 21 1.040 13.345 6.642 1.00 0.00 N ATOM 257 CA THR A 21 1.914 14.284 7.333 1.00 0.00 C ATOM 258 C THR A 21 2.979 14.837 6.393 1.00 0.00 C ATOM 259 O THR A 21 3.321 14.213 5.388 1.00 0.00 O ATOM 260 CB THR A 21 2.604 13.624 8.541 1.00 0.00 C ATOM 261 OG1 THR A 21 1.768 12.595 9.082 1.00 0.00 O ATOM 262 CG2 THR A 21 2.912 14.653 9.618 1.00 0.00 C ATOM 0 H THR A 21 1.499 12.803 5.910 1.00 0.00 H new ATOM 0 HA THR A 21 1.285 15.101 7.685 1.00 0.00 H new ATOM 0 HB THR A 21 3.542 13.187 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.259 11.747 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.399 14.163 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.573 15.418 9.212 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.985 15.116 9.954 1.00 0.00 H new ATOM 270 N THR A 22 3.503 16.013 6.726 1.00 0.00 N ATOM 271 CA THR A 22 4.530 16.651 5.912 1.00 0.00 C ATOM 272 C THR A 22 5.634 15.665 5.548 1.00 0.00 C ATOM 273 O THR A 22 6.082 15.616 4.403 1.00 0.00 O ATOM 274 CB THR A 22 5.153 17.858 6.638 1.00 0.00 C ATOM 275 OG1 THR A 22 5.685 17.447 7.903 1.00 0.00 O ATOM 276 CG2 THR A 22 4.121 18.955 6.849 1.00 0.00 C ATOM 0 H THR A 22 3.232 16.543 7.555 1.00 0.00 H new ATOM 0 HA THR A 22 4.042 16.997 5.001 1.00 0.00 H new ATOM 0 HB THR A 22 5.957 18.252 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.081 18.219 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.585 19.797 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.739 19.286 5.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.299 18.570 7.452 1.00 0.00 H new ATOM 284 N SER A 23 6.068 14.881 6.530 1.00 0.00 N ATOM 285 CA SER A 23 7.123 13.897 6.313 1.00 0.00 C ATOM 286 C SER A 23 6.541 12.491 6.205 1.00 0.00 C ATOM 287 O SER A 23 6.877 11.735 5.294 1.00 0.00 O ATOM 288 CB SER A 23 8.143 13.954 7.451 1.00 0.00 C ATOM 289 OG SER A 23 8.836 15.190 7.455 1.00 0.00 O ATOM 0 H SER A 23 5.706 14.908 7.483 1.00 0.00 H new ATOM 0 HA SER A 23 7.623 14.137 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.635 13.815 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.855 13.135 7.347 1.00 0.00 H new ATOM 0 HG SER A 23 9.481 15.201 8.193 1.00 0.00 H new ATOM 295 N THR A 24 5.664 12.147 7.143 1.00 0.00 N ATOM 296 CA THR A 24 5.035 10.832 7.156 1.00 0.00 C ATOM 297 C THR A 24 3.682 10.863 6.456 1.00 0.00 C ATOM 298 O THR A 24 3.182 11.929 6.093 1.00 0.00 O ATOM 299 CB THR A 24 4.844 10.315 8.595 1.00 0.00 C ATOM 300 OG1 THR A 24 3.736 10.979 9.211 1.00 0.00 O ATOM 301 CG2 THR A 24 6.101 10.540 9.422 1.00 0.00 C ATOM 0 H THR A 24 5.373 12.761 7.904 1.00 0.00 H new ATOM 0 HA THR A 24 5.703 10.157 6.621 1.00 0.00 H new ATOM 0 HB THR A 24 4.645 9.244 8.550 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.620 10.644 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.942 10.167 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.936 10.008 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.326 11.606 9.459 1.00 0.00 H new ATOM 309 N THR A 25 3.090 9.688 6.269 1.00 0.00 N ATOM 310 CA THR A 25 1.794 9.580 5.611 1.00 0.00 C ATOM 311 C THR A 25 1.027 8.357 6.103 1.00 0.00 C ATOM 312 O THR A 25 1.430 7.221 5.855 1.00 0.00 O ATOM 313 CB THR A 25 1.945 9.496 4.081 1.00 0.00 C ATOM 314 OG1 THR A 25 2.160 10.803 3.537 1.00 0.00 O ATOM 315 CG2 THR A 25 0.710 8.874 3.448 1.00 0.00 C ATOM 0 H THR A 25 3.488 8.797 6.564 1.00 0.00 H new ATOM 0 HA THR A 25 1.236 10.481 5.864 1.00 0.00 H new ATOM 0 HB THR A 25 2.805 8.864 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.257 10.740 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.841 8.825 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.567 7.868 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.164 9.482 3.681 1.00 0.00 H new ATOM 323 N GLU A 26 -0.079 8.599 6.800 1.00 0.00 N ATOM 324 CA GLU A 26 -0.901 7.515 7.326 1.00 0.00 C ATOM 325 C GLU A 26 -1.690 6.839 6.209 1.00 0.00 C ATOM 326 O GLU A 26 -1.831 7.386 5.114 1.00 0.00 O ATOM 327 CB GLU A 26 -1.860 8.045 8.394 1.00 0.00 C ATOM 328 CG GLU A 26 -1.166 8.471 9.677 1.00 0.00 C ATOM 329 CD GLU A 26 -2.145 8.874 10.763 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.076 9.650 10.463 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.980 8.414 11.912 1.00 0.00 O ATOM 0 H GLU A 26 -0.426 9.534 7.013 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.238 6.777 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.409 8.895 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.594 7.273 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.545 7.652 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.500 9.307 9.465 1.00 0.00 H new ATOM 338 N LEU A 27 -2.202 5.646 6.492 1.00 0.00 N ATOM 339 CA LEU A 27 -2.977 4.894 5.512 1.00 0.00 C ATOM 340 C LEU A 27 -4.064 4.069 6.194 1.00 0.00 C ATOM 341 O LEU A 27 -4.000 3.813 7.396 1.00 0.00 O ATOM 342 CB LEU A 27 -2.058 3.978 4.701 1.00 0.00 C ATOM 343 CG LEU A 27 -0.877 4.656 4.006 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.069 3.616 3.425 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.369 5.599 2.918 1.00 0.00 C ATOM 0 H LEU A 27 -2.094 5.179 7.392 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.456 5.606 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.669 3.207 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.658 3.473 3.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.331 5.241 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.903 4.117 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.447 2.981 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.465 3.004 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.515 6.073 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.939 5.036 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.006 6.365 3.361 1.00 0.00 H new ATOM 357 N ALA A 28 -5.059 3.654 5.417 1.00 0.00 N ATOM 358 CA ALA A 28 -6.158 2.855 5.945 1.00 0.00 C ATOM 359 C ALA A 28 -6.985 2.247 4.818 1.00 0.00 C ATOM 360 O ALA A 28 -7.725 2.950 4.130 1.00 0.00 O ATOM 361 CB ALA A 28 -7.039 3.702 6.852 1.00 0.00 C ATOM 0 H ALA A 28 -5.127 3.858 4.420 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.733 2.039 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.855 3.092 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.445 4.083 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.448 4.538 6.285 1.00 0.00 H new ATOM 367 N TRP A 29 -6.855 0.938 4.635 1.00 0.00 N ATOM 368 CA TRP A 29 -7.591 0.235 3.590 1.00 0.00 C ATOM 369 C TRP A 29 -8.385 -0.929 4.172 1.00 0.00 C ATOM 370 O TRP A 29 -8.388 -1.146 5.384 1.00 0.00 O ATOM 371 CB TRP A 29 -6.630 -0.274 2.515 1.00 0.00 C ATOM 372 CG TRP A 29 -5.609 -1.238 3.039 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.699 -2.600 3.052 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.345 -0.911 3.628 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.567 -3.141 3.614 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.721 -2.126 3.974 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.679 0.288 3.894 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.465 -2.172 4.573 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.433 0.240 4.489 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.836 -0.983 4.822 1.00 0.00 C ATOM 0 H TRP A 29 -6.247 0.342 5.196 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.291 0.938 3.138 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.204 -0.758 1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.118 0.576 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.536 -3.169 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.387 -4.137 3.742 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.130 1.236 3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.003 -3.113 4.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.910 1.161 4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.860 -0.987 5.284 1.00 0.00 H new ATOM 391 N ASP A 30 -9.057 -1.675 3.302 1.00 0.00 N ATOM 392 CA ASP A 30 -9.854 -2.819 3.731 1.00 0.00 C ATOM 393 C ASP A 30 -9.443 -4.080 2.977 1.00 0.00 C ATOM 394 O ASP A 30 -8.810 -4.024 1.922 1.00 0.00 O ATOM 395 CB ASP A 30 -11.342 -2.541 3.512 1.00 0.00 C ATOM 396 CG ASP A 30 -11.993 -1.893 4.719 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.424 -0.915 5.247 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.072 -2.365 5.134 1.00 0.00 O ATOM 0 H ASP A 30 -9.066 -1.508 2.296 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.675 -2.978 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.464 -1.892 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.854 -3.476 3.285 1.00 0.00 H new ATOM 403 N PRO A 31 -9.810 -5.246 3.530 1.00 0.00 N ATOM 404 CA PRO A 31 -9.490 -6.543 2.927 1.00 0.00 C ATOM 405 C PRO A 31 -10.272 -6.794 1.642 1.00 0.00 C ATOM 406 O PRO A 31 -11.273 -6.135 1.357 1.00 0.00 O ATOM 407 CB PRO A 31 -9.900 -7.547 4.007 1.00 0.00 C ATOM 408 CG PRO A 31 -10.945 -6.842 4.802 1.00 0.00 C ATOM 409 CD PRO A 31 -10.566 -5.387 4.785 1.00 0.00 C ATOM 0 HA PRO A 31 -8.441 -6.611 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.289 -8.465 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.051 -7.827 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.934 -6.993 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.983 -7.224 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.445 -4.743 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.961 -5.119 5.651 1.00 0.00 H new ATOM 417 N PRO A 32 -9.807 -7.768 0.846 1.00 0.00 N ATOM 418 CA PRO A 32 -10.449 -8.129 -0.421 1.00 0.00 C ATOM 419 C PRO A 32 -11.799 -8.807 -0.215 1.00 0.00 C ATOM 420 O PRO A 32 -11.969 -9.608 0.704 1.00 0.00 O ATOM 421 CB PRO A 32 -9.454 -9.102 -1.059 1.00 0.00 C ATOM 422 CG PRO A 32 -8.704 -9.683 0.089 1.00 0.00 C ATOM 423 CD PRO A 32 -8.619 -8.593 1.123 1.00 0.00 C ATOM 0 HA PRO A 32 -10.662 -7.253 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.967 -9.876 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.785 -8.588 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.216 -10.559 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.710 -10.008 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.637 -8.997 2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.698 -8.018 1.026 1.00 0.00 H new ATOM 431 N VAL A 33 -12.757 -8.482 -1.077 1.00 0.00 N ATOM 432 CA VAL A 33 -14.093 -9.061 -0.990 1.00 0.00 C ATOM 433 C VAL A 33 -14.034 -10.584 -1.014 1.00 0.00 C ATOM 434 O VAL A 33 -13.234 -11.174 -1.741 1.00 0.00 O ATOM 435 CB VAL A 33 -14.991 -8.575 -2.143 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.468 -7.153 -1.886 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.252 -8.667 -3.469 1.00 0.00 C ATOM 0 H VAL A 33 -12.633 -7.821 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.520 -8.732 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.867 -9.222 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.101 -6.827 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -16.038 -7.123 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.607 -6.489 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.902 -8.320 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.358 -8.045 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.966 -9.702 -3.655 1.00 0.00 H new ATOM 447 N LEU A 34 -14.885 -11.216 -0.214 1.00 0.00 N ATOM 448 CA LEU A 34 -14.931 -12.672 -0.142 1.00 0.00 C ATOM 449 C LEU A 34 -14.972 -13.285 -1.539 1.00 0.00 C ATOM 450 O LEU A 34 -14.546 -14.421 -1.742 1.00 0.00 O ATOM 451 CB LEU A 34 -16.151 -13.125 0.662 1.00 0.00 C ATOM 452 CG LEU A 34 -17.502 -12.580 0.197 1.00 0.00 C ATOM 453 CD1 LEU A 34 -18.626 -13.518 0.608 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.736 -11.185 0.759 1.00 0.00 C ATOM 0 H LEU A 34 -15.553 -10.743 0.394 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.026 -13.015 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.193 -14.214 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.004 -12.835 1.702 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.491 -12.515 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.580 -13.114 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.466 -14.497 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.639 -13.616 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.702 -10.813 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.727 -11.225 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.947 -10.517 0.414 1.00 0.00 H new ATOM 466 N ALA A 35 -15.487 -12.523 -2.498 1.00 0.00 N ATOM 467 CA ALA A 35 -15.580 -12.989 -3.876 1.00 0.00 C ATOM 468 C ALA A 35 -14.196 -13.142 -4.499 1.00 0.00 C ATOM 469 O ALA A 35 -13.881 -14.177 -5.085 1.00 0.00 O ATOM 470 CB ALA A 35 -16.428 -12.032 -4.701 1.00 0.00 C ATOM 0 H ALA A 35 -15.846 -11.580 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.058 -13.969 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.489 -12.393 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.430 -11.975 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.973 -11.041 -4.691 1.00 0.00 H new ATOM 476 N GLU A 36 -13.375 -12.105 -4.367 1.00 0.00 N ATOM 477 CA GLU A 36 -12.025 -12.126 -4.919 1.00 0.00 C ATOM 478 C GLU A 36 -11.010 -12.540 -3.858 1.00 0.00 C ATOM 479 O GLU A 36 -10.291 -11.704 -3.311 1.00 0.00 O ATOM 480 CB GLU A 36 -11.659 -10.751 -5.481 1.00 0.00 C ATOM 481 CG GLU A 36 -12.705 -10.180 -6.424 1.00 0.00 C ATOM 482 CD GLU A 36 -12.744 -8.665 -6.404 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.729 -8.051 -6.013 1.00 0.00 O ATOM 484 OE2 GLU A 36 -13.789 -8.093 -6.778 1.00 0.00 O ATOM 0 H GLU A 36 -13.620 -11.241 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.001 -12.859 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.511 -10.057 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.708 -10.825 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.499 -10.521 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.686 -10.569 -6.150 1.00 0.00 H new ATOM 491 N ARG A 37 -10.959 -13.837 -3.571 1.00 0.00 N ATOM 492 CA ARG A 37 -10.034 -14.363 -2.574 1.00 0.00 C ATOM 493 C ARG A 37 -9.658 -15.808 -2.890 1.00 0.00 C ATOM 494 O ARG A 37 -10.474 -16.717 -2.747 1.00 0.00 O ATOM 495 CB ARG A 37 -10.654 -14.280 -1.178 1.00 0.00 C ATOM 496 CG ARG A 37 -10.597 -12.889 -0.568 1.00 0.00 C ATOM 497 CD ARG A 37 -11.310 -12.840 0.774 1.00 0.00 C ATOM 498 NE ARG A 37 -10.420 -13.184 1.880 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.675 -12.886 3.149 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.788 -12.242 3.471 1.00 0.00 N ATOM 501 NH2 ARG A 37 -9.816 -13.234 4.098 1.00 0.00 N ATOM 0 H ARG A 37 -11.547 -14.542 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.129 -13.756 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.694 -14.602 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.138 -14.978 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.557 -12.589 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.054 -12.172 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.716 -11.841 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.155 -13.529 0.761 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.555 -13.680 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.451 -11.974 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.982 -12.014 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.959 -13.731 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.012 -13.005 5.072 1.00 0.00 H new ATOM 515 N ASN A 38 -8.418 -16.010 -3.321 1.00 0.00 N ATOM 516 CA ASN A 38 -7.934 -17.344 -3.659 1.00 0.00 C ATOM 517 C ASN A 38 -7.330 -18.029 -2.437 1.00 0.00 C ATOM 518 O ASN A 38 -6.311 -18.712 -2.535 1.00 0.00 O ATOM 519 CB ASN A 38 -6.894 -17.264 -4.779 1.00 0.00 C ATOM 520 CG ASN A 38 -7.529 -17.197 -6.154 1.00 0.00 C ATOM 521 OD1 ASN A 38 -7.430 -18.137 -6.942 1.00 0.00 O ATOM 522 ND2 ASN A 38 -8.185 -16.081 -6.449 1.00 0.00 N ATOM 0 H ASN A 38 -7.730 -15.268 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.783 -17.935 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.268 -16.385 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.239 -18.134 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.632 -15.978 -7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.242 -15.327 -5.765 1.00 0.00 H new ATOM 529 N GLY A 39 -7.966 -17.841 -1.285 1.00 0.00 N ATOM 530 CA GLY A 39 -7.478 -18.447 -0.060 1.00 0.00 C ATOM 531 C GLY A 39 -7.679 -17.555 1.149 1.00 0.00 C ATOM 532 O GLY A 39 -8.787 -17.082 1.402 1.00 0.00 O ATOM 0 H GLY A 39 -8.811 -17.280 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.991 -19.395 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.417 -18.674 -0.168 1.00 0.00 H new ATOM 536 N ARG A 40 -6.605 -17.325 1.898 1.00 0.00 N ATOM 537 CA ARG A 40 -6.670 -16.486 3.088 1.00 0.00 C ATOM 538 C ARG A 40 -5.555 -15.445 3.081 1.00 0.00 C ATOM 539 O ARG A 40 -4.548 -15.604 2.389 1.00 0.00 O ATOM 540 CB ARG A 40 -6.571 -17.346 4.350 1.00 0.00 C ATOM 541 CG ARG A 40 -5.371 -18.280 4.358 1.00 0.00 C ATOM 542 CD ARG A 40 -5.706 -19.622 3.728 1.00 0.00 C ATOM 543 NE ARG A 40 -6.242 -20.567 4.704 1.00 0.00 N ATOM 544 CZ ARG A 40 -5.494 -21.197 5.603 1.00 0.00 C ATOM 545 NH1 ARG A 40 -4.186 -20.985 5.649 1.00 0.00 N ATOM 546 NH2 ARG A 40 -6.054 -22.043 6.459 1.00 0.00 N ATOM 0 H ARG A 40 -5.680 -17.708 1.702 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.628 -15.967 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.518 -16.693 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.481 -17.937 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.546 -17.818 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.034 -18.432 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.432 -19.476 2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.810 -20.042 3.271 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.245 -20.753 4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.751 -20.336 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.615 -21.470 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.060 -22.210 6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.479 -22.526 7.149 1.00 0.00 H new ATOM 560 N ILE A 41 -5.742 -14.380 3.853 1.00 0.00 N ATOM 561 CA ILE A 41 -4.752 -13.313 3.935 1.00 0.00 C ATOM 562 C ILE A 41 -3.928 -13.424 5.213 1.00 0.00 C ATOM 563 O ILE A 41 -4.406 -13.929 6.229 1.00 0.00 O ATOM 564 CB ILE A 41 -5.416 -11.924 3.885 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.552 -11.914 2.860 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.385 -10.856 3.551 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.178 -12.548 1.538 1.00 0.00 C ATOM 0 H ILE A 41 -6.570 -14.233 4.431 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.096 -13.425 3.072 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.835 -11.703 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.411 -12.440 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.864 -10.884 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.869 -9.880 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.607 -10.850 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.939 -11.072 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.031 -12.506 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.339 -12.008 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.895 -13.588 1.700 1.00 0.00 H new ATOM 579 N ILE A 42 -2.689 -12.949 5.155 1.00 0.00 N ATOM 580 CA ILE A 42 -1.800 -12.993 6.309 1.00 0.00 C ATOM 581 C ILE A 42 -1.148 -11.636 6.553 1.00 0.00 C ATOM 582 O ILE A 42 -0.913 -11.245 7.696 1.00 0.00 O ATOM 583 CB ILE A 42 -0.698 -14.054 6.131 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.051 -13.922 4.750 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.271 -15.450 6.323 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.009 -14.966 4.478 1.00 0.00 C ATOM 0 H ILE A 42 -2.278 -12.529 4.321 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.414 -13.259 7.170 1.00 0.00 H new ATOM 0 HB ILE A 42 0.069 -13.891 6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.825 -13.994 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.394 -12.931 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.480 -16.189 6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.689 -15.537 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.055 -15.626 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.424 -14.812 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.803 -14.880 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.564 -15.960 4.536 1.00 0.00 H new ATOM 598 N SER A 43 -0.860 -10.920 5.470 1.00 0.00 N ATOM 599 CA SER A 43 -0.234 -9.607 5.566 1.00 0.00 C ATOM 600 C SER A 43 -0.387 -8.836 4.258 1.00 0.00 C ATOM 601 O SER A 43 -0.895 -9.364 3.269 1.00 0.00 O ATOM 602 CB SER A 43 1.248 -9.750 5.916 1.00 0.00 C ATOM 603 OG SER A 43 1.878 -10.711 5.087 1.00 0.00 O ATOM 0 H SER A 43 -1.050 -11.228 4.516 1.00 0.00 H new ATOM 0 HA SER A 43 -0.735 -9.049 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.746 -8.787 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.351 -10.043 6.961 1.00 0.00 H new ATOM 0 HG SER A 43 2.825 -10.782 5.330 1.00 0.00 H new ATOM 609 N TYR A 44 0.057 -7.584 4.262 1.00 0.00 N ATOM 610 CA TYR A 44 -0.032 -6.738 3.078 1.00 0.00 C ATOM 611 C TYR A 44 1.266 -5.966 2.861 1.00 0.00 C ATOM 612 O TYR A 44 2.053 -5.776 3.789 1.00 0.00 O ATOM 613 CB TYR A 44 -1.203 -5.762 3.209 1.00 0.00 C ATOM 614 CG TYR A 44 -2.549 -6.443 3.316 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.890 -7.178 4.444 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.480 -6.349 2.289 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.119 -7.802 4.545 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.711 -6.968 2.382 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.026 -7.694 3.512 1.00 0.00 C ATOM 620 OH TYR A 44 -6.251 -8.313 3.609 1.00 0.00 O ATOM 0 H TYR A 44 0.482 -7.133 5.072 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.199 -7.382 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.049 -5.139 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.209 -5.097 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.183 -7.263 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.237 -5.782 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.368 -8.371 5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.423 -6.884 1.574 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.313 -8.782 4.467 1.00 0.00 H new ATOM 630 N THR A 45 1.483 -5.521 1.627 1.00 0.00 N ATOM 631 CA THR A 45 2.685 -4.770 1.286 1.00 0.00 C ATOM 632 C THR A 45 2.335 -3.384 0.757 1.00 0.00 C ATOM 633 O THR A 45 1.656 -3.250 -0.261 1.00 0.00 O ATOM 634 CB THR A 45 3.530 -5.511 0.233 1.00 0.00 C ATOM 635 OG1 THR A 45 3.918 -6.796 0.731 1.00 0.00 O ATOM 636 CG2 THR A 45 4.769 -4.706 -0.130 1.00 0.00 C ATOM 0 H THR A 45 0.842 -5.668 0.847 1.00 0.00 H new ATOM 0 HA THR A 45 3.266 -4.670 2.203 1.00 0.00 H new ATOM 0 HB THR A 45 2.923 -5.638 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.125 -7.364 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.350 -5.249 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.469 -3.740 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.376 -4.551 0.762 1.00 0.00 H new ATOM 644 N VAL A 46 2.804 -2.354 1.454 1.00 0.00 N ATOM 645 CA VAL A 46 2.542 -0.977 1.053 1.00 0.00 C ATOM 646 C VAL A 46 3.720 -0.396 0.279 1.00 0.00 C ATOM 647 O VAL A 46 4.724 0.007 0.866 1.00 0.00 O ATOM 648 CB VAL A 46 2.252 -0.082 2.273 1.00 0.00 C ATOM 649 CG1 VAL A 46 1.973 1.347 1.834 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.087 -0.639 3.077 1.00 0.00 C ATOM 0 H VAL A 46 3.367 -2.447 2.299 1.00 0.00 H new ATOM 0 HA VAL A 46 1.663 -0.997 0.409 1.00 0.00 H new ATOM 0 HB VAL A 46 3.134 -0.073 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.770 1.964 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.841 1.741 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.107 1.362 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.896 0.006 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.197 -0.680 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.332 -1.643 3.425 1.00 0.00 H new ATOM 660 N VAL A 47 3.590 -0.356 -1.043 1.00 0.00 N ATOM 661 CA VAL A 47 4.643 0.177 -1.899 1.00 0.00 C ATOM 662 C VAL A 47 4.443 1.667 -2.153 1.00 0.00 C ATOM 663 O VAL A 47 3.509 2.070 -2.845 1.00 0.00 O ATOM 664 CB VAL A 47 4.695 -0.560 -3.250 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.938 -0.160 -4.030 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.651 -2.066 -3.038 1.00 0.00 C ATOM 0 H VAL A 47 2.766 -0.686 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 47 5.586 0.024 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 47 3.821 -0.272 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.957 -0.691 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.922 0.914 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.827 -0.416 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.689 -2.571 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.505 -2.374 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.728 -2.334 -2.524 1.00 0.00 H new ATOM 676 N PHE A 48 5.329 2.481 -1.588 1.00 0.00 N ATOM 677 CA PHE A 48 5.250 3.928 -1.752 1.00 0.00 C ATOM 678 C PHE A 48 6.456 4.454 -2.525 1.00 0.00 C ATOM 679 O PHE A 48 7.596 4.081 -2.247 1.00 0.00 O ATOM 680 CB PHE A 48 5.166 4.614 -0.387 1.00 0.00 C ATOM 681 CG PHE A 48 6.288 4.242 0.540 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.321 2.996 1.145 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.309 5.139 0.808 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.351 2.652 1.999 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.343 4.801 1.661 1.00 0.00 C ATOM 686 CZ PHE A 48 8.364 3.555 2.256 1.00 0.00 C ATOM 0 H PHE A 48 6.109 2.163 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 48 4.348 4.155 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.167 5.694 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.217 4.356 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.532 2.285 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.297 6.115 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.364 1.678 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.133 5.510 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.171 3.287 2.921 1.00 0.00 H new ATOM 696 N ARG A 49 6.196 5.322 -3.497 1.00 0.00 N ATOM 697 CA ARG A 49 7.259 5.898 -4.311 1.00 0.00 C ATOM 698 C ARG A 49 6.864 7.281 -4.822 1.00 0.00 C ATOM 699 O ARG A 49 5.693 7.539 -5.104 1.00 0.00 O ATOM 700 CB ARG A 49 7.580 4.980 -5.492 1.00 0.00 C ATOM 701 CG ARG A 49 8.474 5.624 -6.539 1.00 0.00 C ATOM 702 CD ARG A 49 8.347 4.928 -7.885 1.00 0.00 C ATOM 703 NE ARG A 49 6.982 4.981 -8.401 1.00 0.00 N ATOM 704 CZ ARG A 49 6.661 4.699 -9.659 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.602 4.346 -10.524 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.396 4.770 -10.054 1.00 0.00 N ATOM 0 H ARG A 49 5.258 5.642 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 49 8.146 6.000 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.064 4.078 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.648 4.670 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.211 6.676 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.511 5.587 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.024 5.396 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.657 3.888 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 49 6.234 5.249 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.575 4.290 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.352 4.130 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.669 5.041 -9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.150 4.553 -11.020 1.00 0.00 H new ATOM 720 N ASP A 50 7.847 8.166 -4.937 1.00 0.00 N ATOM 721 CA ASP A 50 7.603 9.523 -5.414 1.00 0.00 C ATOM 722 C ASP A 50 7.498 9.554 -6.935 1.00 0.00 C ATOM 723 O ASP A 50 8.495 9.389 -7.639 1.00 0.00 O ATOM 724 CB ASP A 50 8.720 10.459 -4.948 1.00 0.00 C ATOM 725 CG ASP A 50 8.633 11.829 -5.592 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.502 12.310 -5.812 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.696 12.419 -5.876 1.00 0.00 O ATOM 0 H ASP A 50 8.821 7.969 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 50 6.656 9.864 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.672 10.566 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.686 10.012 -5.181 1.00 0.00 H new ATOM 732 N ILE A 51 6.285 9.763 -7.435 1.00 0.00 N ATOM 733 CA ILE A 51 6.051 9.815 -8.873 1.00 0.00 C ATOM 734 C ILE A 51 6.983 10.817 -9.546 1.00 0.00 C ATOM 735 O ILE A 51 7.144 10.807 -10.766 1.00 0.00 O ATOM 736 CB ILE A 51 4.592 10.194 -9.192 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.263 11.573 -8.618 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.640 9.143 -8.641 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.993 12.173 -9.178 1.00 0.00 C ATOM 0 H ILE A 51 5.449 9.899 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 51 6.253 8.817 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 51 4.470 10.234 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.171 11.494 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.094 12.249 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.613 9.424 -8.874 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.863 8.177 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.761 9.074 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.822 13.150 -8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.089 12.284 -10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.151 11.518 -8.954 1.00 0.00 H new ATOM 751 N ASN A 52 7.596 11.680 -8.742 1.00 0.00 N ATOM 752 CA ASN A 52 8.514 12.688 -9.260 1.00 0.00 C ATOM 753 C ASN A 52 9.948 12.168 -9.260 1.00 0.00 C ATOM 754 O ASN A 52 10.787 12.631 -10.033 1.00 0.00 O ATOM 755 CB ASN A 52 8.422 13.967 -8.426 1.00 0.00 C ATOM 756 CG ASN A 52 7.049 14.606 -8.495 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.809 15.502 -9.305 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.139 14.146 -7.644 1.00 0.00 N ATOM 0 H ASN A 52 7.474 11.701 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 52 8.228 12.912 -10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.661 13.738 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.169 14.680 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.197 14.537 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.382 13.402 -6.990 1.00 0.00 H new ATOM 765 N SER A 53 10.223 11.204 -8.388 1.00 0.00 N ATOM 766 CA SER A 53 11.556 10.623 -8.284 1.00 0.00 C ATOM 767 C SER A 53 11.539 9.149 -8.675 1.00 0.00 C ATOM 768 O SER A 53 10.480 8.579 -8.939 1.00 0.00 O ATOM 769 CB SER A 53 12.094 10.779 -6.861 1.00 0.00 C ATOM 770 OG SER A 53 12.800 11.999 -6.713 1.00 0.00 O ATOM 0 H SER A 53 9.540 10.808 -7.742 1.00 0.00 H new ATOM 0 HA SER A 53 12.212 11.156 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.268 10.745 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.752 9.943 -6.624 1.00 0.00 H new ATOM 0 HG SER A 53 13.132 12.075 -5.794 1.00 0.00 H new ATOM 776 N GLN A 54 12.719 8.538 -8.710 1.00 0.00 N ATOM 777 CA GLN A 54 12.839 7.130 -9.069 1.00 0.00 C ATOM 778 C GLN A 54 13.146 6.279 -7.841 1.00 0.00 C ATOM 779 O GLN A 54 13.606 5.144 -7.960 1.00 0.00 O ATOM 780 CB GLN A 54 13.934 6.942 -10.120 1.00 0.00 C ATOM 781 CG GLN A 54 15.299 7.443 -9.674 1.00 0.00 C ATOM 782 CD GLN A 54 16.266 7.609 -10.829 1.00 0.00 C ATOM 783 OE1 GLN A 54 15.969 7.229 -11.962 1.00 0.00 O ATOM 784 NE2 GLN A 54 17.432 8.179 -10.548 1.00 0.00 N ATOM 0 H GLN A 54 13.605 8.996 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 54 11.885 6.805 -9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.009 5.884 -10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.645 7.465 -11.032 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.182 8.399 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.720 6.744 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.636 8.479 -9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.123 8.317 -11.285 1.00 0.00 H new ATOM 793 N GLN A 55 12.887 6.836 -6.662 1.00 0.00 N ATOM 794 CA GLN A 55 13.137 6.128 -5.412 1.00 0.00 C ATOM 795 C GLN A 55 11.931 5.282 -5.016 1.00 0.00 C ATOM 796 O GLN A 55 10.928 5.804 -4.530 1.00 0.00 O ATOM 797 CB GLN A 55 13.467 7.120 -4.296 1.00 0.00 C ATOM 798 CG GLN A 55 13.799 6.456 -2.969 1.00 0.00 C ATOM 799 CD GLN A 55 15.082 5.651 -3.024 1.00 0.00 C ATOM 800 OE1 GLN A 55 16.166 6.169 -2.754 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.966 4.376 -3.376 1.00 0.00 N ATOM 0 H GLN A 55 12.505 7.774 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 55 13.990 5.466 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.312 7.735 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.619 7.791 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.887 7.220 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.977 5.802 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.048 3.988 -3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.795 3.785 -3.431 1.00 0.00 H new ATOM 810 N GLU A 56 12.037 3.974 -5.226 1.00 0.00 N ATOM 811 CA GLU A 56 10.954 3.057 -4.891 1.00 0.00 C ATOM 812 C GLU A 56 11.153 2.464 -3.499 1.00 0.00 C ATOM 813 O GLU A 56 12.265 2.086 -3.126 1.00 0.00 O ATOM 814 CB GLU A 56 10.868 1.934 -5.927 1.00 0.00 C ATOM 815 CG GLU A 56 9.475 1.345 -6.071 1.00 0.00 C ATOM 816 CD GLU A 56 9.340 0.459 -7.295 1.00 0.00 C ATOM 817 OE1 GLU A 56 9.655 0.932 -8.407 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.919 -0.707 -7.140 1.00 0.00 O ATOM 0 H GLU A 56 12.861 3.526 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 56 10.021 3.621 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.193 2.318 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.562 1.141 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.236 0.766 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.747 2.154 -6.130 1.00 0.00 H new ATOM 825 N LEU A 57 10.070 2.388 -2.734 1.00 0.00 N ATOM 826 CA LEU A 57 10.124 1.842 -1.383 1.00 0.00 C ATOM 827 C LEU A 57 8.787 1.222 -0.991 1.00 0.00 C ATOM 828 O LEU A 57 7.735 1.635 -1.479 1.00 0.00 O ATOM 829 CB LEU A 57 10.503 2.937 -0.384 1.00 0.00 C ATOM 830 CG LEU A 57 11.766 3.736 -0.711 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.746 5.080 -0.001 1.00 0.00 C ATOM 832 CD2 LEU A 57 13.010 2.947 -0.329 1.00 0.00 C ATOM 0 H LEU A 57 9.143 2.698 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 57 10.885 1.061 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.668 3.633 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.631 2.478 0.596 1.00 0.00 H new ATOM 0 HG LEU A 57 11.791 3.917 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.652 5.634 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.874 5.649 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.697 4.922 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.899 3.531 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.992 2.735 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.031 2.009 -0.884 1.00 0.00 H new ATOM 844 N GLN A 58 8.835 0.231 -0.107 1.00 0.00 N ATOM 845 CA GLN A 58 7.627 -0.444 0.351 1.00 0.00 C ATOM 846 C GLN A 58 7.725 -0.790 1.833 1.00 0.00 C ATOM 847 O GLN A 58 8.750 -0.551 2.470 1.00 0.00 O ATOM 848 CB GLN A 58 7.386 -1.714 -0.467 1.00 0.00 C ATOM 849 CG GLN A 58 7.665 -1.544 -1.951 1.00 0.00 C ATOM 850 CD GLN A 58 9.094 -1.890 -2.320 1.00 0.00 C ATOM 851 OE1 GLN A 58 9.584 -2.974 -2.001 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.772 -0.969 -2.995 1.00 0.00 N ATOM 0 H GLN A 58 9.698 -0.122 0.306 1.00 0.00 H new ATOM 0 HA GLN A 58 6.786 0.235 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.017 -2.513 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.352 -2.031 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.984 -2.177 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.459 -0.513 -2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.327 -0.084 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.738 -1.146 -3.270 1.00 0.00 H new ATOM 861 N ASN A 59 6.651 -1.354 2.376 1.00 0.00 N ATOM 862 CA ASN A 59 6.616 -1.733 3.784 1.00 0.00 C ATOM 863 C ASN A 59 5.781 -2.993 3.988 1.00 0.00 C ATOM 864 O ASN A 59 5.117 -3.466 3.065 1.00 0.00 O ATOM 865 CB ASN A 59 6.047 -0.589 4.627 1.00 0.00 C ATOM 866 CG ASN A 59 7.073 0.494 4.899 1.00 0.00 C ATOM 867 OD1 ASN A 59 6.812 1.679 4.687 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.247 0.092 5.370 1.00 0.00 N ATOM 0 H ASN A 59 5.794 -1.559 1.863 1.00 0.00 H new ATOM 0 HA ASN A 59 7.637 -1.940 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.190 -0.153 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.682 -0.986 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.977 0.776 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.419 -0.900 5.531 1.00 0.00 H new ATOM 875 N ILE A 60 5.819 -3.531 5.202 1.00 0.00 N ATOM 876 CA ILE A 60 5.065 -4.736 5.527 1.00 0.00 C ATOM 877 C ILE A 60 4.389 -4.610 6.888 1.00 0.00 C ATOM 878 O ILE A 60 5.004 -4.175 7.863 1.00 0.00 O ATOM 879 CB ILE A 60 5.969 -5.983 5.529 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.715 -6.100 4.198 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.145 -7.234 5.793 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.727 -7.224 4.170 1.00 0.00 C ATOM 0 H ILE A 60 6.364 -3.152 5.977 1.00 0.00 H new ATOM 0 HA ILE A 60 4.304 -4.850 4.755 1.00 0.00 H new ATOM 0 HB ILE A 60 6.703 -5.881 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.991 -6.253 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.224 -5.158 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.798 -8.107 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.655 -7.149 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.391 -7.344 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.218 -7.248 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.473 -7.062 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.221 -8.174 4.345 1.00 0.00 H new ATOM 894 N THR A 61 3.118 -4.996 6.950 1.00 0.00 N ATOM 895 CA THR A 61 2.357 -4.927 8.191 1.00 0.00 C ATOM 896 C THR A 61 1.213 -5.935 8.191 1.00 0.00 C ATOM 897 O THR A 61 0.562 -6.152 7.169 1.00 0.00 O ATOM 898 CB THR A 61 1.784 -3.517 8.421 1.00 0.00 C ATOM 899 OG1 THR A 61 1.023 -3.489 9.634 1.00 0.00 O ATOM 900 CG2 THR A 61 0.903 -3.093 7.255 1.00 0.00 C ATOM 0 H THR A 61 2.594 -5.360 6.154 1.00 0.00 H new ATOM 0 HA THR A 61 3.048 -5.166 8.999 1.00 0.00 H new ATOM 0 HB THR A 61 2.618 -2.819 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.663 -2.588 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.510 -2.093 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.492 -3.087 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.076 -3.795 7.150 1.00 0.00 H new ATOM 908 N THR A 62 0.972 -6.549 9.345 1.00 0.00 N ATOM 909 CA THR A 62 -0.094 -7.535 9.478 1.00 0.00 C ATOM 910 C THR A 62 -1.442 -6.859 9.699 1.00 0.00 C ATOM 911 O THR A 62 -2.394 -7.489 10.161 1.00 0.00 O ATOM 912 CB THR A 62 0.180 -8.504 10.644 1.00 0.00 C ATOM 913 OG1 THR A 62 0.168 -7.791 11.886 1.00 0.00 O ATOM 914 CG2 THR A 62 1.520 -9.200 10.466 1.00 0.00 C ATOM 0 H THR A 62 1.500 -6.381 10.201 1.00 0.00 H new ATOM 0 HA THR A 62 -0.122 -8.099 8.546 1.00 0.00 H new ATOM 0 HB THR A 62 -0.605 -9.260 10.652 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.341 -8.414 12.622 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.691 -9.879 11.301 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.515 -9.765 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.315 -8.455 10.435 1.00 0.00 H new ATOM 922 N ASP A 63 -1.518 -5.576 9.366 1.00 0.00 N ATOM 923 CA ASP A 63 -2.751 -4.815 9.527 1.00 0.00 C ATOM 924 C ASP A 63 -3.214 -4.242 8.191 1.00 0.00 C ATOM 925 O ASP A 63 -2.434 -4.138 7.243 1.00 0.00 O ATOM 926 CB ASP A 63 -2.552 -3.686 10.539 1.00 0.00 C ATOM 927 CG ASP A 63 -2.802 -4.136 11.965 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.339 -5.237 12.329 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.462 -3.388 12.716 1.00 0.00 O ATOM 0 H ASP A 63 -0.739 -5.040 8.982 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.520 -5.492 9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.535 -3.302 10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.225 -2.863 10.298 1.00 0.00 H new ATOM 934 N THR A 64 -4.489 -3.870 8.121 1.00 0.00 N ATOM 935 CA THR A 64 -5.056 -3.310 6.902 1.00 0.00 C ATOM 936 C THR A 64 -4.733 -1.825 6.777 1.00 0.00 C ATOM 937 O THR A 64 -5.370 -1.104 6.009 1.00 0.00 O ATOM 938 CB THR A 64 -6.584 -3.496 6.855 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.117 -3.506 8.184 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.950 -4.792 6.148 1.00 0.00 C ATOM 0 H THR A 64 -5.148 -3.947 8.896 1.00 0.00 H new ATOM 0 HA THR A 64 -4.606 -3.849 6.068 1.00 0.00 H new ATOM 0 HB THR A 64 -7.012 -2.663 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.089 -3.623 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.034 -4.901 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.568 -4.770 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.510 -5.634 6.682 1.00 0.00 H new ATOM 948 N ARG A 65 -3.739 -1.375 7.536 1.00 0.00 N ATOM 949 CA ARG A 65 -3.332 0.025 7.510 1.00 0.00 C ATOM 950 C ARG A 65 -1.822 0.155 7.689 1.00 0.00 C ATOM 951 O ARG A 65 -1.146 -0.804 8.061 1.00 0.00 O ATOM 952 CB ARG A 65 -4.056 0.809 8.607 1.00 0.00 C ATOM 953 CG ARG A 65 -3.644 0.410 10.014 1.00 0.00 C ATOM 954 CD ARG A 65 -2.468 1.239 10.507 1.00 0.00 C ATOM 955 NE ARG A 65 -1.747 0.576 11.590 1.00 0.00 N ATOM 956 CZ ARG A 65 -2.147 0.593 12.857 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.256 1.235 13.197 1.00 0.00 N ATOM 958 NH2 ARG A 65 -1.437 -0.034 13.787 1.00 0.00 N ATOM 0 H ARG A 65 -3.201 -1.959 8.176 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.603 0.439 6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.863 1.873 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.131 0.663 8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.489 0.536 10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.378 -0.647 10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.785 1.427 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.827 2.209 10.851 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.890 0.073 11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.805 1.718 12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.561 1.246 14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.583 -0.529 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.745 -0.020 14.759 1.00 0.00 H new ATOM 972 N PHE A 66 -1.301 1.348 7.421 1.00 0.00 N ATOM 973 CA PHE A 66 0.129 1.604 7.550 1.00 0.00 C ATOM 974 C PHE A 66 0.418 3.101 7.522 1.00 0.00 C ATOM 975 O PHE A 66 -0.437 3.905 7.149 1.00 0.00 O ATOM 976 CB PHE A 66 0.898 0.903 6.428 1.00 0.00 C ATOM 977 CG PHE A 66 2.387 0.921 6.619 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.016 -0.070 7.355 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.158 1.929 6.064 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.387 -0.057 7.533 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.529 1.947 6.238 1.00 0.00 C ATOM 982 CZ PHE A 66 5.144 0.954 6.975 1.00 0.00 C ATOM 0 H PHE A 66 -1.847 2.152 7.113 1.00 0.00 H new ATOM 0 HA PHE A 66 0.459 1.206 8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.561 -0.131 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.656 1.381 5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.428 -0.862 7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.682 2.710 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.865 -0.836 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.119 2.737 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.215 0.968 7.115 1.00 0.00 H new ATOM 992 N THR A 67 1.631 3.471 7.921 1.00 0.00 N ATOM 993 CA THR A 67 2.034 4.872 7.945 1.00 0.00 C ATOM 994 C THR A 67 3.445 5.047 7.393 1.00 0.00 C ATOM 995 O THR A 67 4.422 4.627 8.014 1.00 0.00 O ATOM 996 CB THR A 67 1.978 5.449 9.371 1.00 0.00 C ATOM 997 OG1 THR A 67 0.697 5.186 9.956 1.00 0.00 O ATOM 998 CG2 THR A 67 2.237 6.948 9.359 1.00 0.00 C ATOM 0 H THR A 67 2.352 2.820 8.232 1.00 0.00 H new ATOM 0 HA THR A 67 1.329 5.414 7.314 1.00 0.00 H new ATOM 0 HB THR A 67 2.754 4.967 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.670 5.555 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.192 7.333 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.224 7.143 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.480 7.443 8.750 1.00 0.00 H new ATOM 1006 N LEU A 68 3.544 5.671 6.224 1.00 0.00 N ATOM 1007 CA LEU A 68 4.837 5.903 5.588 1.00 0.00 C ATOM 1008 C LEU A 68 5.684 6.866 6.414 1.00 0.00 C ATOM 1009 O LEU A 68 5.211 7.444 7.393 1.00 0.00 O ATOM 1010 CB LEU A 68 4.640 6.459 4.177 1.00 0.00 C ATOM 1011 CG LEU A 68 4.030 5.498 3.156 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.372 4.059 3.507 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.522 5.688 3.080 1.00 0.00 C ATOM 0 H LEU A 68 2.745 6.025 5.698 1.00 0.00 H new ATOM 0 HA LEU A 68 5.361 4.949 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.003 7.341 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.608 6.791 3.801 1.00 0.00 H new ATOM 0 HG LEU A 68 4.453 5.721 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.929 3.390 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.455 3.932 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.977 3.822 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.105 4.996 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.081 5.493 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.299 6.712 2.780 1.00 0.00 H new ATOM 1025 N THR A 69 6.940 7.036 6.011 1.00 0.00 N ATOM 1026 CA THR A 69 7.853 7.929 6.712 1.00 0.00 C ATOM 1027 C THR A 69 9.016 8.340 5.816 1.00 0.00 C ATOM 1028 O THR A 69 9.254 7.731 4.773 1.00 0.00 O ATOM 1029 CB THR A 69 8.410 7.274 7.989 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.288 6.196 7.644 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.282 6.754 8.867 1.00 0.00 C ATOM 0 H THR A 69 7.347 6.566 5.202 1.00 0.00 H new ATOM 0 HA THR A 69 7.280 8.814 6.988 1.00 0.00 H new ATOM 0 HB THR A 69 8.964 8.030 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.639 5.786 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.700 6.296 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.632 7.581 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.704 6.012 8.316 1.00 0.00 H new ATOM 1039 N GLY A 70 9.739 9.376 6.230 1.00 0.00 N ATOM 1040 CA GLY A 70 10.869 9.850 5.453 1.00 0.00 C ATOM 1041 C GLY A 70 10.465 10.322 4.070 1.00 0.00 C ATOM 1042 O GLY A 70 11.128 10.009 3.080 1.00 0.00 O ATOM 0 H GLY A 70 9.562 9.895 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.354 10.668 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.603 9.050 5.360 1.00 0.00 H new ATOM 1046 N LEU A 71 9.375 11.078 4.000 1.00 0.00 N ATOM 1047 CA LEU A 71 8.882 11.593 2.728 1.00 0.00 C ATOM 1048 C LEU A 71 8.992 13.114 2.677 1.00 0.00 C ATOM 1049 O LEU A 71 9.051 13.778 3.712 1.00 0.00 O ATOM 1050 CB LEU A 71 7.428 11.169 2.512 1.00 0.00 C ATOM 1051 CG LEU A 71 7.051 9.778 3.024 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.540 9.631 3.106 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.646 8.702 2.128 1.00 0.00 C ATOM 0 H LEU A 71 8.816 11.348 4.809 1.00 0.00 H new ATOM 0 HA LEU A 71 9.498 11.175 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.781 11.900 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.213 11.212 1.444 1.00 0.00 H new ATOM 0 HG LEU A 71 7.462 9.656 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.291 8.635 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.138 10.380 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.106 9.773 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.368 7.718 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.265 8.821 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.732 8.794 2.121 1.00 0.00 H new ATOM 1065 N LYS A 72 9.019 13.660 1.466 1.00 0.00 N ATOM 1066 CA LYS A 72 9.119 15.102 1.278 1.00 0.00 C ATOM 1067 C LYS A 72 7.741 15.754 1.330 1.00 0.00 C ATOM 1068 O LYS A 72 6.760 15.231 0.801 1.00 0.00 O ATOM 1069 CB LYS A 72 9.794 15.418 -0.058 1.00 0.00 C ATOM 1070 CG LYS A 72 10.482 16.772 -0.087 1.00 0.00 C ATOM 1071 CD LYS A 72 11.362 16.924 -1.316 1.00 0.00 C ATOM 1072 CE LYS A 72 10.543 17.277 -2.549 1.00 0.00 C ATOM 1073 NZ LYS A 72 10.099 16.061 -3.286 1.00 0.00 N ATOM 0 H LYS A 72 8.973 13.125 0.599 1.00 0.00 H new ATOM 0 HA LYS A 72 9.725 15.507 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.528 14.642 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.046 15.383 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.732 17.563 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.087 16.893 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.106 17.700 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.905 15.996 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.671 17.860 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.137 17.907 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.521 16.058 -4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.403 15.211 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.062 16.064 -3.368 1.00 0.00 H new ATOM 1087 N PRO A 73 7.663 16.925 1.981 1.00 0.00 N ATOM 1088 CA PRO A 73 6.411 17.674 2.115 1.00 0.00 C ATOM 1089 C PRO A 73 5.946 18.269 0.790 1.00 0.00 C ATOM 1090 O PRO A 73 6.761 18.641 -0.055 1.00 0.00 O ATOM 1091 CB PRO A 73 6.767 18.787 3.104 1.00 0.00 C ATOM 1092 CG PRO A 73 8.239 18.967 2.957 1.00 0.00 C ATOM 1093 CD PRO A 73 8.792 17.607 2.635 1.00 0.00 C ATOM 0 HA PRO A 73 5.590 17.038 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.231 19.708 2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.502 18.510 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.468 19.679 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.678 19.360 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.658 17.671 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.113 17.081 3.534 1.00 0.00 H new ATOM 1101 N ASP A 74 4.632 18.355 0.614 1.00 0.00 N ATOM 1102 CA ASP A 74 4.059 18.906 -0.609 1.00 0.00 C ATOM 1103 C ASP A 74 4.589 18.172 -1.836 1.00 0.00 C ATOM 1104 O ASP A 74 4.925 18.790 -2.847 1.00 0.00 O ATOM 1105 CB ASP A 74 4.372 20.399 -0.717 1.00 0.00 C ATOM 1106 CG ASP A 74 3.738 21.037 -1.937 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.608 20.641 -2.294 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.371 21.932 -2.535 1.00 0.00 O ATOM 0 H ASP A 74 3.944 18.050 1.302 1.00 0.00 H new ATOM 0 HA ASP A 74 2.978 18.772 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.018 20.907 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.452 20.539 -0.758 1.00 0.00 H new ATOM 1113 N THR A 75 4.663 16.848 -1.742 1.00 0.00 N ATOM 1114 CA THR A 75 5.155 16.029 -2.843 1.00 0.00 C ATOM 1115 C THR A 75 4.301 14.779 -3.023 1.00 0.00 C ATOM 1116 O THR A 75 4.099 14.011 -2.082 1.00 0.00 O ATOM 1117 CB THR A 75 6.620 15.608 -2.620 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.487 16.730 -2.815 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.011 14.487 -3.570 1.00 0.00 C ATOM 0 H THR A 75 4.388 16.320 -0.914 1.00 0.00 H new ATOM 0 HA THR A 75 5.094 16.641 -3.743 1.00 0.00 H new ATOM 0 HB THR A 75 6.720 15.246 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.609 17.201 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.049 14.207 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.368 13.624 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.896 14.826 -4.600 1.00 0.00 H new ATOM 1127 N THR A 76 3.800 14.580 -4.239 1.00 0.00 N ATOM 1128 CA THR A 76 2.967 13.424 -4.542 1.00 0.00 C ATOM 1129 C THR A 76 3.739 12.124 -4.348 1.00 0.00 C ATOM 1130 O THR A 76 4.843 11.962 -4.868 1.00 0.00 O ATOM 1131 CB THR A 76 2.433 13.479 -5.986 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.799 14.740 -6.225 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.444 12.352 -6.240 1.00 0.00 C ATOM 0 H THR A 76 3.957 15.205 -5.029 1.00 0.00 H new ATOM 0 HA THR A 76 2.126 13.451 -3.850 1.00 0.00 H new ATOM 0 HB THR A 76 3.276 13.361 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.464 14.768 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.080 12.411 -7.266 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.938 11.393 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.604 12.443 -5.552 1.00 0.00 H new ATOM 1141 N TYR A 77 3.152 11.199 -3.596 1.00 0.00 N ATOM 1142 CA TYR A 77 3.786 9.913 -3.331 1.00 0.00 C ATOM 1143 C TYR A 77 2.875 8.761 -3.742 1.00 0.00 C ATOM 1144 O TYR A 77 1.850 8.509 -3.108 1.00 0.00 O ATOM 1145 CB TYR A 77 4.143 9.792 -1.849 1.00 0.00 C ATOM 1146 CG TYR A 77 5.512 10.336 -1.509 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.648 9.546 -1.642 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.671 11.639 -1.053 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.901 10.038 -1.332 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.920 12.140 -0.742 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.032 11.336 -0.883 1.00 0.00 C ATOM 1152 OH TYR A 77 9.278 11.831 -0.573 1.00 0.00 O ATOM 0 H TYR A 77 2.238 11.316 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 77 4.699 9.859 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.394 10.321 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.095 8.743 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.549 8.530 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.803 12.271 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.773 9.410 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.025 13.156 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 77 9.473 12.606 -1.141 1.00 0.00 H new ATOM 1162 N ASP A 78 3.255 8.066 -4.808 1.00 0.00 N ATOM 1163 CA ASP A 78 2.474 6.939 -5.305 1.00 0.00 C ATOM 1164 C ASP A 78 2.514 5.774 -4.320 1.00 0.00 C ATOM 1165 O ASP A 78 3.471 4.999 -4.299 1.00 0.00 O ATOM 1166 CB ASP A 78 3.000 6.488 -6.668 1.00 0.00 C ATOM 1167 CG ASP A 78 2.406 5.164 -7.109 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.566 4.167 -6.374 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.780 5.126 -8.189 1.00 0.00 O ATOM 0 H ASP A 78 4.099 8.263 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 78 1.440 7.265 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.772 7.251 -7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.085 6.399 -6.624 1.00 0.00 H new ATOM 1174 N ILE A 79 1.470 5.658 -3.506 1.00 0.00 N ATOM 1175 CA ILE A 79 1.386 4.589 -2.520 1.00 0.00 C ATOM 1176 C ILE A 79 0.303 3.581 -2.891 1.00 0.00 C ATOM 1177 O ILE A 79 -0.806 3.957 -3.271 1.00 0.00 O ATOM 1178 CB ILE A 79 1.095 5.142 -1.112 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.075 6.267 -0.771 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.177 4.030 -0.078 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.495 7.312 0.158 1.00 0.00 C ATOM 0 H ILE A 79 0.671 6.292 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 79 2.356 4.091 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 79 0.084 5.549 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.964 5.836 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.396 6.751 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.969 4.437 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.444 3.259 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.177 3.596 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.244 8.078 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.623 7.770 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.200 6.841 1.096 1.00 0.00 H new ATOM 1193 N LYS A 80 0.632 2.299 -2.778 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.313 1.236 -3.099 1.00 0.00 C ATOM 1195 C LYS A 80 -0.265 0.131 -2.048 1.00 0.00 C ATOM 1196 O LYS A 80 0.475 0.223 -1.069 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.008 0.654 -4.481 1.00 0.00 C ATOM 1198 CG LYS A 80 1.475 0.600 -4.804 1.00 0.00 C ATOM 1199 CD LYS A 80 1.727 0.752 -6.294 1.00 0.00 C ATOM 1200 CE LYS A 80 1.337 -0.505 -7.057 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.745 -0.435 -8.487 1.00 0.00 N ATOM 0 H LYS A 80 1.546 1.971 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.315 1.664 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.421 -0.353 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.515 1.253 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.995 1.391 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.889 -0.347 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.159 1.601 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.781 0.970 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.802 -1.373 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.258 -0.648 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.461 -1.310 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.282 0.378 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.777 -0.324 -8.548 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.059 -0.915 -2.259 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.105 -2.039 -1.332 1.00 0.00 C ATOM 1217 C VAL A 81 -1.446 -3.336 -2.057 1.00 0.00 C ATOM 1218 O VAL A 81 -2.006 -3.317 -3.153 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.137 -1.802 -0.214 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.505 -2.318 -0.632 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.682 -2.461 1.079 1.00 0.00 C ATOM 0 H VAL A 81 -1.679 -1.007 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.113 -2.124 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.218 -0.729 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.221 -2.142 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.832 -1.796 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.444 -3.387 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.423 -2.283 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.571 -3.534 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.725 -2.039 1.385 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.105 -4.461 -1.438 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.375 -5.768 -2.024 1.00 0.00 C ATOM 1233 C ARG A 82 -1.452 -6.844 -0.945 1.00 0.00 C ATOM 1234 O ARG A 82 -0.578 -6.936 -0.083 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.289 -6.129 -3.041 1.00 0.00 C ATOM 1236 CG ARG A 82 1.094 -6.278 -2.428 1.00 0.00 C ATOM 1237 CD ARG A 82 2.096 -6.813 -3.439 1.00 0.00 C ATOM 1238 NE ARG A 82 3.451 -6.854 -2.897 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.545 -6.818 -3.650 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.444 -6.740 -4.969 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.744 -6.859 -3.082 1.00 0.00 N ATOM 0 H ARG A 82 -0.641 -4.494 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.338 -5.717 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.561 -7.062 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.255 -5.359 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.433 -5.312 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.044 -6.952 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.799 -7.815 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.081 -6.186 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 82 3.564 -6.914 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.524 -6.707 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.286 -6.713 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.826 -6.918 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.584 -6.831 -3.661 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.504 -7.654 -0.997 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.695 -8.723 -0.025 1.00 0.00 C ATOM 1257 C ALA A 83 -1.752 -9.889 -0.300 1.00 0.00 C ATOM 1258 O ALA A 83 -1.337 -10.109 -1.438 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.141 -9.197 -0.039 1.00 0.00 C ATOM 0 H ALA A 83 -3.238 -7.590 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.463 -8.327 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.269 -9.996 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.799 -8.365 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.392 -9.570 -1.032 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.416 -10.631 0.749 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.520 -11.775 0.620 1.00 0.00 C ATOM 1267 C TRP A 84 -1.160 -13.035 1.194 1.00 0.00 C ATOM 1268 O TRP A 84 -1.919 -12.973 2.162 1.00 0.00 O ATOM 1269 CB TRP A 84 0.806 -11.493 1.329 1.00 0.00 C ATOM 1270 CG TRP A 84 1.672 -10.512 0.599 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.421 -9.184 0.403 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.928 -10.783 -0.034 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.445 -8.613 -0.314 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.382 -9.572 -0.593 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.713 -11.929 -0.181 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.585 -9.479 -1.288 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.907 -11.835 -0.871 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.334 -10.617 -1.417 1.00 0.00 C ATOM 0 H TRP A 84 -1.750 -10.461 1.698 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.329 -11.938 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.601 -11.112 2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.352 -12.429 1.450 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.547 -8.660 0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.498 -7.633 -0.593 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.393 -12.872 0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.915 -8.542 -1.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.521 -12.715 -0.991 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.272 -10.576 -1.950 1.00 0.00 H new ATOM 1289 N THR A 85 -0.848 -14.179 0.592 1.00 0.00 N ATOM 1290 CA THR A 85 -1.393 -15.453 1.043 1.00 0.00 C ATOM 1291 C THR A 85 -0.280 -16.433 1.396 1.00 0.00 C ATOM 1292 O THR A 85 0.864 -16.266 0.973 1.00 0.00 O ATOM 1293 CB THR A 85 -2.300 -16.087 -0.028 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.580 -16.225 -1.259 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.543 -15.241 -0.255 1.00 0.00 C ATOM 0 H THR A 85 -0.221 -14.249 -0.209 1.00 0.00 H new ATOM 0 HA THR A 85 -1.986 -15.245 1.934 1.00 0.00 H new ATOM 0 HB THR A 85 -2.609 -17.071 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.188 -16.540 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.168 -15.709 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.104 -15.161 0.676 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.250 -14.246 -0.589 1.00 0.00 H new ATOM 1303 N SER A 86 -0.623 -17.455 2.174 1.00 0.00 N ATOM 1304 CA SER A 86 0.349 -18.461 2.586 1.00 0.00 C ATOM 1305 C SER A 86 1.157 -18.958 1.391 1.00 0.00 C ATOM 1306 O SER A 86 2.258 -19.487 1.547 1.00 0.00 O ATOM 1307 CB SER A 86 -0.358 -19.637 3.263 1.00 0.00 C ATOM 1308 OG SER A 86 0.527 -20.729 3.442 1.00 0.00 O ATOM 0 H SER A 86 -1.566 -17.608 2.531 1.00 0.00 H new ATOM 0 HA SER A 86 1.033 -17.999 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.751 -19.321 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.210 -19.950 2.659 1.00 0.00 H new ATOM 0 HG SER A 86 0.052 -21.467 3.878 1.00 0.00 H new ATOM 1314 N LYS A 87 0.602 -18.784 0.197 1.00 0.00 N ATOM 1315 CA LYS A 87 1.269 -19.213 -1.027 1.00 0.00 C ATOM 1316 C LYS A 87 2.327 -18.200 -1.454 1.00 0.00 C ATOM 1317 O LYS A 87 3.513 -18.521 -1.527 1.00 0.00 O ATOM 1318 CB LYS A 87 0.247 -19.401 -2.150 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.816 -20.441 -1.837 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.397 -21.824 -2.308 1.00 0.00 C ATOM 1321 CE LYS A 87 -1.602 -22.727 -2.525 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.265 -23.908 -3.368 1.00 0.00 N ATOM 0 H LYS A 87 -0.309 -18.349 0.050 1.00 0.00 H new ATOM 0 HA LYS A 87 1.761 -20.165 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.239 -18.446 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.770 -19.691 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.001 -20.462 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.754 -20.160 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.167 -21.738 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.269 -22.274 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.981 -23.065 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.401 -22.158 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.112 -24.499 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.927 -23.586 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.520 -24.465 -2.903 1.00 0.00 H new ATOM 1336 N GLY A 88 1.890 -16.976 -1.732 1.00 0.00 N ATOM 1337 CA GLY A 88 2.813 -15.935 -2.146 1.00 0.00 C ATOM 1338 C GLY A 88 2.157 -14.570 -2.208 1.00 0.00 C ATOM 1339 O GLY A 88 1.423 -14.184 -1.298 1.00 0.00 O ATOM 0 H GLY A 88 0.913 -16.686 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.652 -15.900 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.221 -16.184 -3.126 1.00 0.00 H new ATOM 1343 N SER A 89 2.424 -13.835 -3.283 1.00 0.00 N ATOM 1344 CA SER A 89 1.859 -12.502 -3.457 1.00 0.00 C ATOM 1345 C SER A 89 0.897 -12.470 -4.641 1.00 0.00 C ATOM 1346 O SER A 89 0.876 -13.385 -5.463 1.00 0.00 O ATOM 1347 CB SER A 89 2.974 -11.475 -3.664 1.00 0.00 C ATOM 1348 OG SER A 89 2.441 -10.178 -3.866 1.00 0.00 O ATOM 0 H SER A 89 3.028 -14.140 -4.046 1.00 0.00 H new ATOM 0 HA SER A 89 1.305 -12.249 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.633 -11.470 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.581 -11.760 -4.523 1.00 0.00 H new ATOM 0 HG SER A 89 2.682 -9.604 -3.109 1.00 0.00 H new ATOM 1354 N GLY A 90 0.100 -11.409 -4.720 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.854 -11.276 -5.805 1.00 0.00 C ATOM 1356 C GLY A 90 -0.694 -9.972 -6.562 1.00 0.00 C ATOM 1357 O GLY A 90 0.415 -9.475 -6.756 1.00 0.00 O ATOM 0 H GLY A 90 0.098 -10.639 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.733 -12.111 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.866 -11.338 -5.405 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.823 -9.399 -7.005 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.829 -8.138 -7.752 1.00 0.00 C ATOM 1363 C PRO A 91 -1.449 -6.945 -6.881 1.00 0.00 C ATOM 1364 O PRO A 91 -1.203 -7.092 -5.683 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.279 -8.013 -8.225 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.069 -8.802 -7.239 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.180 -9.936 -6.809 1.00 0.00 C ATOM 0 HA PRO A 91 -1.100 -8.142 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.600 -6.972 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.401 -8.405 -9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.356 -8.186 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.990 -9.176 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.356 -10.213 -5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.349 -10.829 -7.410 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.403 -5.765 -7.489 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.053 -4.546 -6.768 1.00 0.00 C ATOM 1377 C LEU A 92 -2.161 -3.505 -6.889 1.00 0.00 C ATOM 1378 O LEU A 92 -2.537 -3.109 -7.992 1.00 0.00 O ATOM 1379 CB LEU A 92 0.261 -3.974 -7.302 1.00 0.00 C ATOM 1380 CG LEU A 92 1.535 -4.451 -6.603 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.745 -4.249 -7.502 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.723 -3.721 -5.281 1.00 0.00 C ATOM 0 H LEU A 92 -1.604 -5.626 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.931 -4.798 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.338 -4.221 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.217 -2.887 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 92 1.436 -5.517 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.642 -4.594 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.613 -4.817 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.848 -3.190 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.634 -4.073 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.800 -2.649 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.869 -3.917 -4.632 1.00 0.00 H new ATOM 1394 N SER A 93 -2.678 -3.063 -5.747 1.00 0.00 N ATOM 1395 CA SER A 93 -3.744 -2.069 -5.724 1.00 0.00 C ATOM 1396 C SER A 93 -3.320 -0.801 -6.460 1.00 0.00 C ATOM 1397 O SER A 93 -2.135 -0.492 -6.584 1.00 0.00 O ATOM 1398 CB SER A 93 -4.125 -1.731 -4.281 1.00 0.00 C ATOM 1399 OG SER A 93 -3.291 -0.712 -3.759 1.00 0.00 O ATOM 0 H SER A 93 -2.375 -3.378 -4.825 1.00 0.00 H new ATOM 0 HA SER A 93 -4.611 -2.491 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.166 -1.409 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.044 -2.624 -3.662 1.00 0.00 H new ATOM 0 HG SER A 93 -3.571 0.156 -4.118 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.312 -0.049 -6.960 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.067 1.198 -7.692 1.00 0.00 C ATOM 1407 C PRO A 94 -3.549 2.309 -6.787 1.00 0.00 C ATOM 1408 O PRO A 94 -4.240 2.748 -5.867 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.447 1.560 -8.247 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.412 0.909 -7.316 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.747 -0.357 -6.850 1.00 0.00 C ATOM 0 HA PRO A 94 -3.302 1.077 -8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.591 2.640 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.572 1.195 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.643 1.562 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.354 0.693 -7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.027 -0.605 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.024 -1.209 -7.471 1.00 0.00 H new ATOM 1419 N SER A 95 -2.327 2.762 -7.053 1.00 0.00 N ATOM 1420 CA SER A 95 -1.715 3.821 -6.260 1.00 0.00 C ATOM 1421 C SER A 95 -2.672 4.997 -6.092 1.00 0.00 C ATOM 1422 O SER A 95 -3.534 5.235 -6.939 1.00 0.00 O ATOM 1423 CB SER A 95 -0.417 4.294 -6.917 1.00 0.00 C ATOM 1424 OG SER A 95 -0.461 4.111 -8.322 1.00 0.00 O ATOM 0 H SER A 95 -1.742 2.412 -7.812 1.00 0.00 H new ATOM 0 HA SER A 95 -1.488 3.417 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.253 5.347 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.427 3.743 -6.501 1.00 0.00 H new ATOM 0 HG SER A 95 0.266 4.617 -8.741 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.513 5.730 -4.995 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.361 6.882 -4.717 1.00 0.00 C ATOM 1432 C ILE A 96 -2.601 8.187 -4.924 1.00 0.00 C ATOM 1433 O ILE A 96 -3.200 9.231 -5.184 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.909 6.843 -3.278 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.816 6.397 -2.305 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.112 5.914 -3.194 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.223 6.500 -0.851 1.00 0.00 C ATOM 0 H ILE A 96 -1.805 5.546 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.196 6.836 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.230 7.847 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.543 5.365 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.925 7.004 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.488 5.897 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.895 6.272 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.815 4.907 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.400 6.168 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.468 7.535 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.095 5.871 -0.672 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.279 8.120 -4.809 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.436 9.297 -4.985 1.00 0.00 C ATOM 1451 C GLN A 97 -0.767 10.364 -3.947 1.00 0.00 C ATOM 1452 O GLN A 97 -0.934 11.537 -4.279 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.610 9.869 -6.394 1.00 0.00 C ATOM 1454 CG GLN A 97 0.381 9.312 -7.403 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.189 9.246 -8.806 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.576 10.264 -9.380 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.245 8.043 -9.366 1.00 0.00 N ATOM 0 H GLN A 97 -0.768 7.263 -4.595 1.00 0.00 H new ATOM 0 HA GLN A 97 0.602 8.993 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.623 9.661 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.503 10.953 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.277 9.933 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.687 8.313 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.087 7.226 -8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.620 7.936 -10.309 1.00 0.00 H new ATOM 1466 N SER A 98 -0.862 9.948 -2.688 1.00 0.00 N ATOM 1467 CA SER A 98 -1.177 10.867 -1.600 1.00 0.00 C ATOM 1468 C SER A 98 -0.019 11.828 -1.348 1.00 0.00 C ATOM 1469 O SER A 98 1.014 11.442 -0.802 1.00 0.00 O ATOM 1470 CB SER A 98 -1.496 10.088 -0.323 1.00 0.00 C ATOM 1471 OG SER A 98 -2.417 10.796 0.489 1.00 0.00 O ATOM 0 H SER A 98 -0.725 8.980 -2.396 1.00 0.00 H new ATOM 0 HA SER A 98 -2.052 11.449 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.909 9.113 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.578 9.907 0.236 1.00 0.00 H new ATOM 0 HG SER A 98 -3.281 10.334 0.483 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.201 13.081 -1.751 1.00 0.00 N ATOM 1478 CA ARG A 99 0.828 14.098 -1.571 1.00 0.00 C ATOM 1479 C ARG A 99 0.857 14.593 -0.128 1.00 0.00 C ATOM 1480 O ARG A 99 -0.104 15.195 0.353 1.00 0.00 O ATOM 1481 CB ARG A 99 0.586 15.273 -2.520 1.00 0.00 C ATOM 1482 CG ARG A 99 1.461 16.482 -2.228 1.00 0.00 C ATOM 1483 CD ARG A 99 1.303 17.554 -3.295 1.00 0.00 C ATOM 1484 NE ARG A 99 2.249 17.377 -4.393 1.00 0.00 N ATOM 1485 CZ ARG A 99 2.117 17.962 -5.579 1.00 0.00 C ATOM 1486 NH1 ARG A 99 1.083 18.758 -5.817 1.00 0.00 N ATOM 1487 NH2 ARG A 99 3.019 17.752 -6.528 1.00 0.00 N ATOM 0 H ARG A 99 -1.051 13.416 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 99 1.793 13.647 -1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.764 14.945 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.461 15.569 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.199 16.895 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.505 16.173 -2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.286 17.529 -3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.448 18.537 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 99 3.055 16.771 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.388 18.922 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.983 19.206 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.816 17.141 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.916 18.202 -7.438 1.00 0.00 H new ATOM 1501 N THR A 100 1.965 14.335 0.560 1.00 0.00 N ATOM 1502 CA THR A 100 2.118 14.752 1.948 1.00 0.00 C ATOM 1503 C THR A 100 1.637 16.185 2.148 1.00 0.00 C ATOM 1504 O THR A 100 1.626 16.982 1.210 1.00 0.00 O ATOM 1505 CB THR A 100 3.585 14.647 2.408 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.431 15.382 1.517 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.033 13.194 2.458 1.00 0.00 C ATOM 0 H THR A 100 2.770 13.839 0.178 1.00 0.00 H new ATOM 0 HA THR A 100 1.507 14.079 2.549 1.00 0.00 H new ATOM 0 HB THR A 100 3.660 15.069 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.285 14.913 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.072 13.145 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.405 12.644 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.944 12.751 1.466 1.00 0.00 H new ATOM 1515 N MET A 101 1.240 16.505 3.375 1.00 0.00 N ATOM 1516 CA MET A 101 0.759 17.843 3.697 1.00 0.00 C ATOM 1517 C MET A 101 1.871 18.875 3.534 1.00 0.00 C ATOM 1518 O MET A 101 3.027 18.638 3.885 1.00 0.00 O ATOM 1519 CB MET A 101 0.217 17.883 5.128 1.00 0.00 C ATOM 1520 CG MET A 101 1.266 18.253 6.164 1.00 0.00 C ATOM 1521 SD MET A 101 0.701 17.971 7.854 1.00 0.00 S ATOM 1522 CE MET A 101 -0.604 19.191 7.982 1.00 0.00 C ATOM 0 H MET A 101 1.242 15.856 4.162 1.00 0.00 H new ATOM 0 HA MET A 101 -0.045 18.089 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.601 18.602 5.178 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.200 16.907 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.170 17.670 5.985 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.535 19.303 6.045 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.944 19.253 9.016 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.226 20.163 7.666 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.437 18.901 7.342 1.00 0.00 H new ATOM 1532 N PRO A 102 1.516 20.047 2.987 1.00 0.00 N ATOM 1533 CA PRO A 102 2.470 21.138 2.765 1.00 0.00 C ATOM 1534 C PRO A 102 2.937 21.775 4.069 1.00 0.00 C ATOM 1535 O PRO A 102 2.227 22.587 4.664 1.00 0.00 O ATOM 1536 CB PRO A 102 1.671 22.145 1.934 1.00 0.00 C ATOM 1537 CG PRO A 102 0.247 21.876 2.281 1.00 0.00 C ATOM 1538 CD PRO A 102 0.156 20.399 2.545 1.00 0.00 C ATOM 0 HA PRO A 102 3.380 20.790 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.951 23.170 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.851 22.010 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.056 22.448 3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.415 22.168 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.586 20.173 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.131 19.848 1.650 1.00 0.00 H new ATOM 1546 N VAL A 103 4.134 21.402 4.510 1.00 0.00 N ATOM 1547 CA VAL A 103 4.696 21.939 5.743 1.00 0.00 C ATOM 1548 C VAL A 103 4.741 23.463 5.710 1.00 0.00 C ATOM 1549 O VAL A 103 5.109 24.105 6.693 1.00 0.00 O ATOM 1550 CB VAL A 103 6.117 21.400 5.993 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.064 21.862 4.896 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.620 21.838 7.361 1.00 0.00 C ATOM 0 H VAL A 103 4.733 20.730 4.031 1.00 0.00 H new ATOM 0 HA VAL A 103 4.044 21.616 6.555 1.00 0.00 H new ATOM 0 HB VAL A 103 6.082 20.311 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.063 21.472 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.711 21.495 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.097 22.951 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.625 21.448 7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.641 22.927 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.955 21.453 8.134 1.00 0.00 H new TER 1562 VAL A 103