USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1000 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 132 THR OG1 : rot 180:sc= -0.115 USER MOD Set 1.2: A 133 SER OG : rot 54:sc= 0.15 USER MOD Set 2.1: A 98 THR OG1 : rot -161:sc= 0.731 USER MOD Set 2.2: A 105 HIS : no HD1:sc= 0.618 K(o=1.3,f=-1.2) USER MOD Set 3.1: A 54 ASN : amide:sc= -3.28! C(o=-2!,f=-11!) USER MOD Set 3.2: A 56 THR OG1 : rot -133:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.129 (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 50:sc= 0.125 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 56:sc= 0.172 USER MOD Single : A 10 ASN : amide:sc= 0.488 K(o=0.49,f=-3.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0672) USER MOD Single : A 16 HIS : no HD1:sc= -8.53! K(o=-8.5!,f=-5) USER MOD Single : A 17 TYR OH : rot 165:sc= -1 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -46:sc= -1.22! USER MOD Single : A 23 CYS SG : rot -5:sc= 0.227 USER MOD Single : A 24 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.052) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 37 THR OG1 : rot 53:sc= 1.06 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.313 K(o=-0.31,f=-3!) USER MOD Single : A 40 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.3!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0279 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 49 GLN : amide:sc= -1.72 K(o=-1.7,f=-7!) USER MOD Single : A 51 SER OG : rot 180:sc= -3.2! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.23) USER MOD Single : A 63 THR OG1 : rot 122:sc= 0.513 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.993 (180deg=0.866) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.56 K(o=-0.56,f=0.097) USER MOD Single : A 71 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-5.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 65:sc= -1.53! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0884 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 68:sc= 1.03 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 116:sc= 1.04 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 65:sc= 0.367 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.397 5.499 23.924 1.00 0.00 N ATOM 2 CA GLY A 1 18.180 6.239 22.948 1.00 0.00 C ATOM 3 C GLY A 1 17.673 7.676 22.814 1.00 0.00 C ATOM 4 O GLY A 1 16.767 8.089 23.538 1.00 0.00 O ATOM 0 H1 GLY A 1 18.012 5.199 24.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.638 6.107 24.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.980 4.661 23.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.228 6.246 23.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.128 5.740 21.981 1.00 0.00 H new ATOM 8 N SER A 2 18.279 8.399 21.884 1.00 0.00 N ATOM 9 CA SER A 2 17.900 9.782 21.647 1.00 0.00 C ATOM 10 C SER A 2 18.764 10.377 20.533 1.00 0.00 C ATOM 11 O SER A 2 19.865 9.895 20.272 1.00 0.00 O ATOM 12 CB SER A 2 18.031 10.616 22.923 1.00 0.00 C ATOM 13 OG SER A 2 16.790 11.200 23.309 1.00 0.00 O ATOM 0 H SER A 2 19.029 8.054 21.286 1.00 0.00 H new ATOM 0 HA SER A 2 16.855 9.802 21.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.402 9.986 23.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.769 11.403 22.768 1.00 0.00 H new ATOM 0 HG SER A 2 16.915 11.723 24.128 1.00 0.00 H new ATOM 19 N SER A 3 18.231 11.416 19.906 1.00 0.00 N ATOM 20 CA SER A 3 18.939 12.081 18.826 1.00 0.00 C ATOM 21 C SER A 3 19.087 11.133 17.634 1.00 0.00 C ATOM 22 O SER A 3 18.932 9.921 17.777 1.00 0.00 O ATOM 23 CB SER A 3 20.313 12.571 19.288 1.00 0.00 C ATOM 24 OG SER A 3 20.235 13.309 20.504 1.00 0.00 O ATOM 0 H SER A 3 17.317 11.813 20.126 1.00 0.00 H new ATOM 0 HA SER A 3 18.357 12.950 18.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.976 11.716 19.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.755 13.196 18.512 1.00 0.00 H new ATOM 0 HG SER A 3 21.132 13.603 20.767 1.00 0.00 H new ATOM 30 N GLY A 4 19.385 11.721 16.484 1.00 0.00 N ATOM 31 CA GLY A 4 19.555 10.943 15.269 1.00 0.00 C ATOM 32 C GLY A 4 20.468 11.668 14.278 1.00 0.00 C ATOM 33 O GLY A 4 21.316 12.465 14.678 1.00 0.00 O ATOM 0 H GLY A 4 19.513 12.726 16.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.978 9.968 15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.583 10.763 14.809 1.00 0.00 H new ATOM 37 N SER A 5 20.264 11.366 13.004 1.00 0.00 N ATOM 38 CA SER A 5 21.058 11.979 11.953 1.00 0.00 C ATOM 39 C SER A 5 20.422 11.704 10.589 1.00 0.00 C ATOM 40 O SER A 5 19.974 10.590 10.323 1.00 0.00 O ATOM 41 CB SER A 5 22.499 11.465 11.980 1.00 0.00 C ATOM 42 OG SER A 5 23.401 12.435 12.506 1.00 0.00 O ATOM 0 H SER A 5 19.560 10.705 12.676 1.00 0.00 H new ATOM 0 HA SER A 5 21.082 13.055 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.549 10.558 12.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.806 11.194 10.970 1.00 0.00 H new ATOM 0 HG SER A 5 23.049 12.785 13.351 1.00 0.00 H new ATOM 48 N SER A 6 20.404 12.737 9.760 1.00 0.00 N ATOM 49 CA SER A 6 19.831 12.621 8.430 1.00 0.00 C ATOM 50 C SER A 6 19.974 13.947 7.680 1.00 0.00 C ATOM 51 O SER A 6 20.345 14.960 8.270 1.00 0.00 O ATOM 52 CB SER A 6 18.359 12.207 8.499 1.00 0.00 C ATOM 53 OG SER A 6 17.572 13.153 9.217 1.00 0.00 O ATOM 0 H SER A 6 20.778 13.659 9.984 1.00 0.00 H new ATOM 0 HA SER A 6 20.375 11.845 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.965 12.100 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.279 11.231 8.978 1.00 0.00 H new ATOM 0 HG SER A 6 16.639 12.854 9.237 1.00 0.00 H new ATOM 59 N GLY A 7 19.673 13.896 6.391 1.00 0.00 N ATOM 60 CA GLY A 7 19.764 15.081 5.555 1.00 0.00 C ATOM 61 C GLY A 7 19.273 14.789 4.135 1.00 0.00 C ATOM 62 O GLY A 7 18.815 13.684 3.848 1.00 0.00 O ATOM 0 H GLY A 7 19.366 13.053 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.170 15.885 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.796 15.429 5.522 1.00 0.00 H new ATOM 66 N SER A 8 19.385 15.799 3.285 1.00 0.00 N ATOM 67 CA SER A 8 18.958 15.664 1.903 1.00 0.00 C ATOM 68 C SER A 8 19.332 16.921 1.115 1.00 0.00 C ATOM 69 O SER A 8 19.543 17.984 1.697 1.00 0.00 O ATOM 70 CB SER A 8 17.451 15.411 1.814 1.00 0.00 C ATOM 71 OG SER A 8 17.157 14.068 1.440 1.00 0.00 O ATOM 0 H SER A 8 19.765 16.714 3.527 1.00 0.00 H new ATOM 0 HA SER A 8 19.470 14.805 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.989 15.629 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.011 16.094 1.088 1.00 0.00 H new ATOM 0 HG SER A 8 17.581 13.452 2.073 1.00 0.00 H new ATOM 77 N TRP A 9 19.404 16.758 -0.198 1.00 0.00 N ATOM 78 CA TRP A 9 19.749 17.866 -1.072 1.00 0.00 C ATOM 79 C TRP A 9 19.192 17.562 -2.464 1.00 0.00 C ATOM 80 O TRP A 9 18.324 18.278 -2.960 1.00 0.00 O ATOM 81 CB TRP A 9 21.259 18.113 -1.073 1.00 0.00 C ATOM 82 CG TRP A 9 21.691 19.328 -0.249 1.00 0.00 C ATOM 83 CD1 TRP A 9 22.695 19.410 0.635 1.00 0.00 C ATOM 84 CD2 TRP A 9 21.088 20.639 -0.268 1.00 0.00 C ATOM 85 NE1 TRP A 9 22.783 20.672 1.185 1.00 0.00 N ATOM 86 CE2 TRP A 9 21.775 21.444 0.618 1.00 0.00 C ATOM 87 CE3 TRP A 9 19.999 21.128 -1.010 1.00 0.00 C ATOM 88 CZ2 TRP A 9 21.449 22.786 0.846 1.00 0.00 C ATOM 89 CZ3 TRP A 9 19.685 22.472 -0.771 1.00 0.00 C ATOM 90 CH2 TRP A 9 20.367 23.295 0.118 1.00 0.00 C ATOM 0 H TRP A 9 19.229 15.875 -0.678 1.00 0.00 H new ATOM 0 HA TRP A 9 19.302 18.793 -0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 9 21.762 17.227 -0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 9 21.594 18.246 -2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 9 23.353 18.591 0.885 1.00 0.00 H new ATOM 0 HE1 TRP A 9 23.462 20.982 1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 9 19.448 20.516 -1.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 22.002 23.396 1.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.855 22.899 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 9 20.063 24.323 0.247 1.00 0.00 H new ATOM 101 N ASN A 10 19.715 16.498 -3.056 1.00 0.00 N ATOM 102 CA ASN A 10 19.281 16.090 -4.381 1.00 0.00 C ATOM 103 C ASN A 10 17.752 16.083 -4.433 1.00 0.00 C ATOM 104 O ASN A 10 17.092 16.236 -3.406 1.00 0.00 O ATOM 105 CB ASN A 10 19.771 14.678 -4.711 1.00 0.00 C ATOM 106 CG ASN A 10 21.287 14.570 -4.537 1.00 0.00 C ATOM 107 OD1 ASN A 10 21.831 14.780 -3.465 1.00 0.00 O ATOM 108 ND2 ASN A 10 21.936 14.230 -5.647 1.00 0.00 N ATOM 0 H ASN A 10 20.435 15.906 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 10 19.696 16.794 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 10 19.274 13.956 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 10 19.500 14.425 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.951 14.131 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.419 14.069 -6.511 1.00 0.00 H new ATOM 115 N GLN A 11 17.233 15.904 -5.639 1.00 0.00 N ATOM 116 CA GLN A 11 15.794 15.876 -5.838 1.00 0.00 C ATOM 117 C GLN A 11 15.114 15.129 -4.688 1.00 0.00 C ATOM 118 O GLN A 11 15.743 14.315 -4.014 1.00 0.00 O ATOM 119 CB GLN A 11 15.439 15.246 -7.186 1.00 0.00 C ATOM 120 CG GLN A 11 15.447 16.295 -8.300 1.00 0.00 C ATOM 121 CD GLN A 11 14.030 16.788 -8.600 1.00 0.00 C ATOM 122 OE1 GLN A 11 13.244 16.131 -9.263 1.00 0.00 O ATOM 123 NE2 GLN A 11 13.748 17.977 -8.076 1.00 0.00 N ATOM 0 H GLN A 11 17.784 15.777 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 11 15.428 16.903 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.152 14.455 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.455 14.781 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.074 17.137 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.886 15.869 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.452 18.474 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.827 18.392 -8.219 1.00 0.00 H new ATOM 132 N ALA A 12 13.838 15.432 -4.500 1.00 0.00 N ATOM 133 CA ALA A 12 13.066 14.800 -3.444 1.00 0.00 C ATOM 134 C ALA A 12 12.409 13.530 -3.989 1.00 0.00 C ATOM 135 O ALA A 12 12.154 13.423 -5.187 1.00 0.00 O ATOM 136 CB ALA A 12 12.042 15.795 -2.894 1.00 0.00 C ATOM 0 H ALA A 12 13.319 16.107 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 12 13.714 14.508 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.463 15.321 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.560 16.666 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.372 16.108 -3.695 1.00 0.00 H new ATOM 142 N PRO A 13 12.148 12.573 -3.058 1.00 0.00 N ATOM 143 CA PRO A 13 11.527 11.314 -3.432 1.00 0.00 C ATOM 144 C PRO A 13 10.034 11.501 -3.710 1.00 0.00 C ATOM 145 O PRO A 13 9.293 11.975 -2.849 1.00 0.00 O ATOM 146 CB PRO A 13 11.802 10.378 -2.267 1.00 0.00 C ATOM 147 CG PRO A 13 12.159 11.271 -1.090 1.00 0.00 C ATOM 148 CD PRO A 13 12.437 12.665 -1.630 1.00 0.00 C ATOM 0 HA PRO A 13 11.931 10.904 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.928 9.767 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.618 9.694 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.342 11.297 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.033 10.883 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.806 13.410 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.472 12.959 -1.453 1.00 0.00 H new ATOM 156 N LYS A 14 9.636 11.120 -4.915 1.00 0.00 N ATOM 157 CA LYS A 14 8.245 11.239 -5.316 1.00 0.00 C ATOM 158 C LYS A 14 7.627 9.844 -5.422 1.00 0.00 C ATOM 159 O LYS A 14 8.303 8.889 -5.804 1.00 0.00 O ATOM 160 CB LYS A 14 8.126 12.063 -6.600 1.00 0.00 C ATOM 161 CG LYS A 14 7.621 13.476 -6.300 1.00 0.00 C ATOM 162 CD LYS A 14 7.028 14.123 -7.553 1.00 0.00 C ATOM 163 CE LYS A 14 8.073 14.223 -8.666 1.00 0.00 C ATOM 164 NZ LYS A 14 9.110 15.219 -8.316 1.00 0.00 N ATOM 0 H LYS A 14 10.253 10.729 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 14 7.677 11.783 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.097 12.117 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.444 11.568 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.866 13.437 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.441 14.087 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.177 13.538 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.654 15.118 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.535 13.249 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.590 14.505 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.723 15.386 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.654 16.111 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.683 14.861 -7.525 1.00 0.00 H new ATOM 178 N LEU A 15 6.350 9.769 -5.077 1.00 0.00 N ATOM 179 CA LEU A 15 5.634 8.505 -5.128 1.00 0.00 C ATOM 180 C LEU A 15 4.220 8.747 -5.660 1.00 0.00 C ATOM 181 O LEU A 15 3.437 9.471 -5.047 1.00 0.00 O ATOM 182 CB LEU A 15 5.668 7.814 -3.764 1.00 0.00 C ATOM 183 CG LEU A 15 4.584 6.762 -3.517 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.544 5.740 -4.655 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.768 6.095 -2.153 1.00 0.00 C ATOM 0 H LEU A 15 5.793 10.563 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 15 6.122 7.818 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.642 7.339 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.588 8.577 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 15 3.617 7.264 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.766 5.004 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.329 6.250 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.509 5.238 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.985 5.352 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.742 5.608 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.708 6.849 -1.368 1.00 0.00 H new ATOM 197 N HIS A 16 3.935 8.127 -6.796 1.00 0.00 N ATOM 198 CA HIS A 16 2.629 8.266 -7.418 1.00 0.00 C ATOM 199 C HIS A 16 1.677 7.211 -6.851 1.00 0.00 C ATOM 200 O HIS A 16 2.079 6.076 -6.601 1.00 0.00 O ATOM 201 CB HIS A 16 2.744 8.203 -8.942 1.00 0.00 C ATOM 202 CG HIS A 16 1.584 8.837 -9.672 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.814 8.152 -10.596 1.00 0.00 N ATOM 204 CD2 HIS A 16 1.071 10.099 -9.603 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.117 8.975 -11.057 1.00 0.00 C ATOM 206 NE2 HIS A 16 0.044 10.181 -10.441 1.00 0.00 N ATOM 0 H HIS A 16 4.586 7.527 -7.302 1.00 0.00 H new ATOM 0 HA HIS A 16 2.212 9.246 -7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.666 8.698 -9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.826 7.160 -9.247 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.438 10.896 -8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.871 8.733 -11.792 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.530 11.010 -10.598 1.00 0.00 H new ATOM 214 N TYR A 17 0.432 7.624 -6.665 1.00 0.00 N ATOM 215 CA TYR A 17 -0.582 6.729 -6.132 1.00 0.00 C ATOM 216 C TYR A 17 -1.988 7.228 -6.472 1.00 0.00 C ATOM 217 O TYR A 17 -2.259 8.426 -6.400 1.00 0.00 O ATOM 218 CB TYR A 17 -0.401 6.745 -4.613 1.00 0.00 C ATOM 219 CG TYR A 17 -0.314 8.149 -4.011 1.00 0.00 C ATOM 220 CD1 TYR A 17 0.912 8.770 -3.885 1.00 0.00 C ATOM 221 CD2 TYR A 17 -1.461 8.793 -3.594 1.00 0.00 C ATOM 222 CE1 TYR A 17 0.994 10.092 -3.318 1.00 0.00 C ATOM 223 CE2 TYR A 17 -1.379 10.115 -3.027 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.155 10.699 -2.918 1.00 0.00 C ATOM 225 OH TYR A 17 -0.078 11.947 -2.383 1.00 0.00 O ATOM 0 H TYR A 17 0.102 8.566 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.474 5.731 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.234 6.214 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.506 6.195 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.809 8.265 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.420 8.306 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.947 10.590 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.269 10.630 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.971 12.351 -2.364 1.00 0.00 H new ATOM 235 N CYS A 18 -2.844 6.285 -6.835 1.00 0.00 N ATOM 236 CA CYS A 18 -4.215 6.614 -7.186 1.00 0.00 C ATOM 237 C CYS A 18 -5.141 6.000 -6.135 1.00 0.00 C ATOM 238 O CYS A 18 -5.308 4.782 -6.085 1.00 0.00 O ATOM 239 CB CYS A 18 -4.565 6.144 -8.600 1.00 0.00 C ATOM 240 SG CYS A 18 -6.376 6.218 -8.853 1.00 0.00 S ATOM 0 H CYS A 18 -2.615 5.293 -6.894 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.342 7.697 -7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.061 6.771 -9.336 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.209 5.125 -8.752 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.663 5.819 -10.057 1.00 0.00 H new ATOM 246 N LEU A 19 -5.719 6.870 -5.320 1.00 0.00 N ATOM 247 CA LEU A 19 -6.623 6.429 -4.273 1.00 0.00 C ATOM 248 C LEU A 19 -8.024 6.242 -4.859 1.00 0.00 C ATOM 249 O LEU A 19 -8.601 7.180 -5.408 1.00 0.00 O ATOM 250 CB LEU A 19 -6.578 7.391 -3.084 1.00 0.00 C ATOM 251 CG LEU A 19 -5.187 7.705 -2.528 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.240 6.519 -2.718 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.628 8.989 -3.144 1.00 0.00 C ATOM 0 H LEU A 19 -5.578 7.879 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.308 5.461 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.049 8.328 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.183 6.972 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.278 7.875 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.259 6.769 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.637 5.649 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.149 6.293 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.639 9.190 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.554 8.872 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.292 9.822 -2.914 1.00 0.00 H new ATOM 265 N ASP A 20 -8.530 5.025 -4.724 1.00 0.00 N ATOM 266 CA ASP A 20 -9.853 4.704 -5.234 1.00 0.00 C ATOM 267 C ASP A 20 -10.509 3.667 -4.321 1.00 0.00 C ATOM 268 O ASP A 20 -10.076 2.516 -4.271 1.00 0.00 O ATOM 269 CB ASP A 20 -9.771 4.110 -6.642 1.00 0.00 C ATOM 270 CG ASP A 20 -11.103 3.628 -7.219 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.531 2.526 -6.813 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.663 4.372 -8.052 1.00 0.00 O ATOM 0 H ASP A 20 -8.048 4.249 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.435 5.625 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.352 4.860 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.074 3.272 -6.626 1.00 0.00 H new ATOM 277 N TYR A 21 -11.542 4.111 -3.621 1.00 0.00 N ATOM 278 CA TYR A 21 -12.262 3.235 -2.712 1.00 0.00 C ATOM 279 C TYR A 21 -13.505 2.650 -3.384 1.00 0.00 C ATOM 280 O TYR A 21 -14.166 3.325 -4.171 1.00 0.00 O ATOM 281 CB TYR A 21 -12.698 4.113 -1.537 1.00 0.00 C ATOM 282 CG TYR A 21 -13.392 3.345 -0.410 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.641 2.687 0.542 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.771 3.311 -0.347 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.295 1.964 1.602 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.425 2.589 0.713 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.655 1.951 1.635 1.00 0.00 C ATOM 288 OH TYR A 21 -15.272 1.268 2.637 1.00 0.00 O ATOM 0 H TYR A 21 -11.898 5.066 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.631 2.403 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.823 4.620 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.373 4.886 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.562 2.714 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.359 3.826 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.719 1.444 2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.503 2.555 0.775 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.857 0.385 2.735 1.00 0.00 H new ATOM 298 N ASP A 22 -13.786 1.399 -3.049 1.00 0.00 N ATOM 299 CA ASP A 22 -14.939 0.715 -3.611 1.00 0.00 C ATOM 300 C ASP A 22 -15.836 0.219 -2.475 1.00 0.00 C ATOM 301 O ASP A 22 -15.719 -0.926 -2.041 1.00 0.00 O ATOM 302 CB ASP A 22 -14.510 -0.499 -4.438 1.00 0.00 C ATOM 303 CG ASP A 22 -15.438 -0.848 -5.603 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.605 -0.402 -5.552 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.960 -1.553 -6.518 1.00 0.00 O ATOM 0 H ASP A 22 -13.236 0.841 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.469 1.419 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.510 -0.317 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.440 -1.363 -3.778 1.00 0.00 H new ATOM 310 N CYS A 23 -16.711 1.106 -2.025 1.00 0.00 N ATOM 311 CA CYS A 23 -17.628 0.773 -0.947 1.00 0.00 C ATOM 312 C CYS A 23 -18.133 -0.654 -1.170 1.00 0.00 C ATOM 313 O CYS A 23 -18.375 -1.387 -0.213 1.00 0.00 O ATOM 314 CB CYS A 23 -18.778 1.777 -0.853 1.00 0.00 C ATOM 315 SG CYS A 23 -20.129 1.086 0.170 1.00 0.00 S ATOM 0 H CYS A 23 -16.805 2.055 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.106 0.828 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -18.422 2.711 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -19.149 2.012 -1.851 1.00 0.00 H new ATOM 0 HG CYS A 23 -19.845 -0.141 0.492 1.00 0.00 H new ATOM 321 N GLN A 24 -18.276 -1.005 -2.439 1.00 0.00 N ATOM 322 CA GLN A 24 -18.748 -2.332 -2.800 1.00 0.00 C ATOM 323 C GLN A 24 -17.814 -3.401 -2.229 1.00 0.00 C ATOM 324 O GLN A 24 -18.269 -4.361 -1.610 1.00 0.00 O ATOM 325 CB GLN A 24 -18.880 -2.473 -4.318 1.00 0.00 C ATOM 326 CG GLN A 24 -19.517 -1.225 -4.931 1.00 0.00 C ATOM 327 CD GLN A 24 -20.785 -1.582 -5.709 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.696 -2.218 -5.204 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.794 -1.140 -6.963 1.00 0.00 N ATOM 0 H GLN A 24 -18.074 -0.394 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.738 -2.474 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.897 -2.637 -4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.485 -3.348 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.758 -0.511 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.804 -0.737 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.999 -0.613 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -21.596 -1.328 -7.564 1.00 0.00 H new ATOM 338 N LYS A 25 -16.524 -3.198 -2.458 1.00 0.00 N ATOM 339 CA LYS A 25 -15.522 -4.132 -1.974 1.00 0.00 C ATOM 340 C LYS A 25 -15.071 -3.709 -0.575 1.00 0.00 C ATOM 341 O LYS A 25 -14.390 -4.466 0.117 1.00 0.00 O ATOM 342 CB LYS A 25 -14.376 -4.256 -2.979 1.00 0.00 C ATOM 343 CG LYS A 25 -14.886 -4.111 -4.414 1.00 0.00 C ATOM 344 CD LYS A 25 -13.910 -4.741 -5.410 1.00 0.00 C ATOM 345 CE LYS A 25 -14.655 -5.561 -6.465 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.697 -6.263 -7.347 1.00 0.00 N ATOM 0 H LYS A 25 -16.150 -2.400 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.945 -5.132 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.626 -3.491 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.886 -5.222 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.863 -4.586 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.022 -3.056 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.327 -3.959 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.205 -5.380 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.307 -6.285 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.293 -4.907 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.219 -6.815 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.092 -5.566 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.106 -6.902 -6.778 1.00 0.00 H new ATOM 360 N ALA A 26 -15.467 -2.502 -0.199 1.00 0.00 N ATOM 361 CA ALA A 26 -15.111 -1.970 1.105 1.00 0.00 C ATOM 362 C ALA A 26 -13.599 -2.089 1.305 1.00 0.00 C ATOM 363 O ALA A 26 -13.138 -2.423 2.396 1.00 0.00 O ATOM 364 CB ALA A 26 -15.903 -2.704 2.190 1.00 0.00 C ATOM 0 H ALA A 26 -16.031 -1.877 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.370 -0.913 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.636 -2.305 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.970 -2.563 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.668 -3.768 2.156 1.00 0.00 H new ATOM 370 N GLU A 27 -12.869 -1.810 0.235 1.00 0.00 N ATOM 371 CA GLU A 27 -11.419 -1.883 0.279 1.00 0.00 C ATOM 372 C GLU A 27 -10.805 -0.711 -0.490 1.00 0.00 C ATOM 373 O GLU A 27 -11.238 -0.397 -1.598 1.00 0.00 O ATOM 374 CB GLU A 27 -10.919 -3.221 -0.269 1.00 0.00 C ATOM 375 CG GLU A 27 -11.391 -4.383 0.607 1.00 0.00 C ATOM 376 CD GLU A 27 -10.208 -5.236 1.069 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.072 -4.718 0.997 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.466 -6.386 1.485 1.00 0.00 O ATOM 0 H GLU A 27 -13.255 -1.533 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.103 -1.815 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.281 -3.359 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.830 -3.215 -0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.925 -3.996 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.094 -5.001 0.049 1.00 0.00 H new ATOM 385 N LEU A 28 -9.807 -0.097 0.127 1.00 0.00 N ATOM 386 CA LEU A 28 -9.130 1.033 -0.486 1.00 0.00 C ATOM 387 C LEU A 28 -8.060 0.518 -1.452 1.00 0.00 C ATOM 388 O LEU A 28 -7.393 -0.476 -1.172 1.00 0.00 O ATOM 389 CB LEU A 28 -8.586 1.978 0.587 1.00 0.00 C ATOM 390 CG LEU A 28 -8.122 3.352 0.098 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.768 3.255 -0.607 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.184 4.006 -0.788 1.00 0.00 C ATOM 0 H LEU A 28 -9.450 -0.361 1.046 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.832 1.625 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.360 2.125 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.748 1.489 1.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.987 3.996 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.462 4.245 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.024 2.862 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.852 2.589 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.829 4.981 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.375 3.373 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.106 4.131 -0.220 1.00 0.00 H new ATOM 404 N PHE A 29 -7.930 1.220 -2.568 1.00 0.00 N ATOM 405 CA PHE A 29 -6.953 0.846 -3.577 1.00 0.00 C ATOM 406 C PHE A 29 -5.955 1.980 -3.820 1.00 0.00 C ATOM 407 O PHE A 29 -6.329 3.152 -3.816 1.00 0.00 O ATOM 408 CB PHE A 29 -7.726 0.576 -4.870 1.00 0.00 C ATOM 409 CG PHE A 29 -8.605 -0.674 -4.820 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.863 -0.601 -4.308 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.129 -1.860 -5.287 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.680 -1.762 -4.261 1.00 0.00 C ATOM 413 CE2 PHE A 29 -8.946 -3.021 -5.240 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.204 -2.947 -4.729 1.00 0.00 C ATOM 0 H PHE A 29 -8.484 2.045 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.394 -0.030 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.353 1.439 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.016 0.476 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.241 0.340 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.130 -1.919 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.679 -1.704 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.568 -3.963 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.825 -3.830 -4.695 1.00 0.00 H new ATOM 424 N VAL A 30 -4.706 1.591 -4.026 1.00 0.00 N ATOM 425 CA VAL A 30 -3.651 2.561 -4.271 1.00 0.00 C ATOM 426 C VAL A 30 -2.901 2.180 -5.549 1.00 0.00 C ATOM 427 O VAL A 30 -1.763 1.716 -5.490 1.00 0.00 O ATOM 428 CB VAL A 30 -2.737 2.659 -3.048 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.711 3.782 -3.219 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.553 2.852 -1.768 1.00 0.00 C ATOM 0 H VAL A 30 -4.400 0.618 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.073 3.554 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.193 1.719 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.074 3.830 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.098 3.584 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.229 4.733 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.879 2.919 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.136 3.770 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.226 2.005 -1.634 1.00 0.00 H new ATOM 440 N THR A 31 -3.568 2.391 -6.674 1.00 0.00 N ATOM 441 CA THR A 31 -2.979 2.076 -7.964 1.00 0.00 C ATOM 442 C THR A 31 -2.117 3.241 -8.455 1.00 0.00 C ATOM 443 O THR A 31 -1.835 4.171 -7.701 1.00 0.00 O ATOM 444 CB THR A 31 -4.112 1.711 -8.925 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.002 2.821 -8.850 1.00 0.00 O ATOM 446 CG2 THR A 31 -4.946 0.530 -8.424 1.00 0.00 C ATOM 0 H THR A 31 -4.511 2.777 -6.719 1.00 0.00 H new ATOM 0 HA THR A 31 -2.306 1.222 -7.893 1.00 0.00 H new ATOM 0 HB THR A 31 -3.695 1.472 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.766 2.669 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.736 0.312 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.306 -0.345 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.390 0.781 -7.461 1.00 0.00 H new ATOM 454 N ARG A 32 -1.723 3.153 -9.717 1.00 0.00 N ATOM 455 CA ARG A 32 -0.899 4.188 -10.318 1.00 0.00 C ATOM 456 C ARG A 32 0.348 4.435 -9.467 1.00 0.00 C ATOM 457 O ARG A 32 0.524 5.521 -8.917 1.00 0.00 O ATOM 458 CB ARG A 32 -1.678 5.497 -10.461 1.00 0.00 C ATOM 459 CG ARG A 32 -2.875 5.324 -11.398 1.00 0.00 C ATOM 460 CD ARG A 32 -2.440 5.401 -12.863 1.00 0.00 C ATOM 461 NE ARG A 32 -3.462 6.118 -13.658 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.631 5.584 -14.036 1.00 0.00 C ATOM 463 NH1 ARG A 32 -4.933 4.324 -13.695 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.497 6.310 -14.756 1.00 0.00 N ATOM 0 H ARG A 32 -1.959 2.381 -10.340 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.604 3.843 -11.309 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.023 5.827 -9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.020 6.276 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.355 4.364 -11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.616 6.097 -11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.482 5.915 -12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.296 4.397 -13.261 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.264 7.079 -13.936 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.273 3.772 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.823 3.917 -13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.266 7.269 -15.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.387 5.904 -15.044 1.00 0.00 H new ATOM 478 N LEU A 33 1.182 3.408 -9.385 1.00 0.00 N ATOM 479 CA LEU A 33 2.408 3.500 -8.611 1.00 0.00 C ATOM 480 C LEU A 33 3.557 3.917 -9.530 1.00 0.00 C ATOM 481 O LEU A 33 3.902 3.195 -10.465 1.00 0.00 O ATOM 482 CB LEU A 33 2.665 2.193 -7.858 1.00 0.00 C ATOM 483 CG LEU A 33 2.141 2.132 -6.422 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.356 3.465 -5.702 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.676 1.693 -6.391 1.00 0.00 C ATOM 0 H LEU A 33 1.032 2.508 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 33 2.318 4.270 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.215 1.377 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.740 2.013 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 33 2.714 1.379 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.975 3.394 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.421 3.697 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.826 4.255 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.328 1.658 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.071 2.404 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.583 0.704 -6.839 1.00 0.00 H new ATOM 497 N GLU A 34 4.119 5.079 -9.234 1.00 0.00 N ATOM 498 CA GLU A 34 5.222 5.601 -10.022 1.00 0.00 C ATOM 499 C GLU A 34 6.209 6.350 -9.124 1.00 0.00 C ATOM 500 O GLU A 34 6.090 7.560 -8.940 1.00 0.00 O ATOM 501 CB GLU A 34 4.713 6.502 -11.149 1.00 0.00 C ATOM 502 CG GLU A 34 3.834 5.716 -12.124 1.00 0.00 C ATOM 503 CD GLU A 34 3.133 6.655 -13.109 1.00 0.00 C ATOM 504 OE1 GLU A 34 2.521 7.631 -12.625 1.00 0.00 O ATOM 505 OE2 GLU A 34 3.226 6.375 -14.324 1.00 0.00 O ATOM 0 H GLU A 34 3.831 5.675 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 34 5.744 4.761 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.144 7.331 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.559 6.935 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.444 4.998 -12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.090 5.144 -11.569 1.00 0.00 H new ATOM 512 N ALA A 35 7.161 5.599 -8.590 1.00 0.00 N ATOM 513 CA ALA A 35 8.167 6.177 -7.716 1.00 0.00 C ATOM 514 C ALA A 35 9.129 7.030 -8.546 1.00 0.00 C ATOM 515 O ALA A 35 9.647 6.575 -9.564 1.00 0.00 O ATOM 516 CB ALA A 35 8.886 5.061 -6.956 1.00 0.00 C ATOM 0 H ALA A 35 7.257 4.596 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 35 7.703 6.829 -6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.641 5.495 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.164 4.504 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.366 4.388 -7.666 1.00 0.00 H new ATOM 522 N VAL A 36 9.337 8.253 -8.080 1.00 0.00 N ATOM 523 CA VAL A 36 10.227 9.174 -8.767 1.00 0.00 C ATOM 524 C VAL A 36 11.390 9.538 -7.843 1.00 0.00 C ATOM 525 O VAL A 36 11.406 10.618 -7.255 1.00 0.00 O ATOM 526 CB VAL A 36 9.443 10.395 -9.252 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.385 11.555 -9.582 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.565 10.042 -10.454 1.00 0.00 C ATOM 0 H VAL A 36 8.905 8.627 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 36 10.652 8.704 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 36 8.787 10.715 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.803 12.410 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.947 11.832 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.077 11.250 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.019 10.928 -10.778 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.192 9.684 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.857 9.263 -10.171 1.00 0.00 H new ATOM 538 N THR A 37 12.336 8.615 -7.743 1.00 0.00 N ATOM 539 CA THR A 37 13.500 8.825 -6.900 1.00 0.00 C ATOM 540 C THR A 37 14.781 8.767 -7.735 1.00 0.00 C ATOM 541 O THR A 37 15.294 7.686 -8.017 1.00 0.00 O ATOM 542 CB THR A 37 13.462 7.790 -5.774 1.00 0.00 C ATOM 543 OG1 THR A 37 13.540 6.538 -6.450 1.00 0.00 O ATOM 544 CG2 THR A 37 12.107 7.747 -5.064 1.00 0.00 C ATOM 0 H THR A 37 12.320 7.720 -8.232 1.00 0.00 H new ATOM 0 HA THR A 37 13.487 9.817 -6.449 1.00 0.00 H new ATOM 0 HB THR A 37 14.245 8.014 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.318 6.536 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.134 6.996 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.893 8.723 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.328 7.490 -5.782 1.00 0.00 H new ATOM 552 N SER A 38 15.261 9.945 -8.106 1.00 0.00 N ATOM 553 CA SER A 38 16.472 10.042 -8.903 1.00 0.00 C ATOM 554 C SER A 38 17.509 9.034 -8.404 1.00 0.00 C ATOM 555 O SER A 38 17.938 8.157 -9.153 1.00 0.00 O ATOM 556 CB SER A 38 17.047 11.460 -8.861 1.00 0.00 C ATOM 557 OG SER A 38 18.417 11.491 -9.251 1.00 0.00 O ATOM 0 H SER A 38 14.833 10.840 -7.869 1.00 0.00 H new ATOM 0 HA SER A 38 16.220 9.812 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.467 12.106 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.948 11.862 -7.853 1.00 0.00 H new ATOM 0 HG SER A 38 18.747 12.413 -9.213 1.00 0.00 H new ATOM 563 N ASN A 39 17.883 9.192 -7.143 1.00 0.00 N ATOM 564 CA ASN A 39 18.861 8.306 -6.535 1.00 0.00 C ATOM 565 C ASN A 39 19.216 8.826 -5.141 1.00 0.00 C ATOM 566 O ASN A 39 18.925 9.974 -4.809 1.00 0.00 O ATOM 567 CB ASN A 39 20.147 8.257 -7.362 1.00 0.00 C ATOM 568 CG ASN A 39 20.566 6.811 -7.639 1.00 0.00 C ATOM 569 OD1 ASN A 39 19.959 5.862 -7.171 1.00 0.00 O ATOM 570 ND2 ASN A 39 21.634 6.698 -8.423 1.00 0.00 N ATOM 0 H ASN A 39 17.526 9.921 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 39 18.426 7.308 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 39 19.998 8.783 -8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 39 20.945 8.775 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.992 5.775 -8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 39 22.095 7.535 -8.781 1.00 0.00 H new ATOM 577 N HIS A 40 19.839 7.955 -4.361 1.00 0.00 N ATOM 578 CA HIS A 40 20.237 8.311 -3.009 1.00 0.00 C ATOM 579 C HIS A 40 21.116 7.204 -2.425 1.00 0.00 C ATOM 580 O HIS A 40 22.294 7.423 -2.147 1.00 0.00 O ATOM 581 CB HIS A 40 19.012 8.614 -2.145 1.00 0.00 C ATOM 582 CG HIS A 40 17.937 7.555 -2.210 1.00 0.00 C ATOM 583 ND1 HIS A 40 17.783 6.582 -1.238 1.00 0.00 N ATOM 584 CD2 HIS A 40 16.965 7.328 -3.140 1.00 0.00 C ATOM 585 CE1 HIS A 40 16.762 5.809 -1.578 1.00 0.00 C ATOM 586 NE2 HIS A 40 16.257 6.273 -2.757 1.00 0.00 N ATOM 0 H HIS A 40 20.078 7.003 -4.639 1.00 0.00 H new ATOM 0 HA HIS A 40 20.830 9.225 -3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.331 8.731 -1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.587 9.568 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 40 16.800 7.908 -4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.394 4.961 -1.020 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.465 5.874 -3.261 1.00 0.00 H new ATOM 594 N ASP A 41 20.510 6.038 -2.254 1.00 0.00 N ATOM 595 CA ASP A 41 21.223 4.896 -1.708 1.00 0.00 C ATOM 596 C ASP A 41 20.303 3.674 -1.717 1.00 0.00 C ATOM 597 O ASP A 41 19.490 3.497 -0.811 1.00 0.00 O ATOM 598 CB ASP A 41 21.650 5.155 -0.261 1.00 0.00 C ATOM 599 CG ASP A 41 20.557 5.725 0.644 1.00 0.00 C ATOM 600 OD1 ASP A 41 20.303 6.943 0.529 1.00 0.00 O ATOM 601 OD2 ASP A 41 20.000 4.929 1.431 1.00 0.00 O ATOM 0 H ASP A 41 19.532 5.860 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 41 22.108 4.726 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.006 4.219 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.494 5.845 -0.265 1.00 0.00 H new ATOM 606 N GLY A 42 20.461 2.861 -2.752 1.00 0.00 N ATOM 607 CA GLY A 42 19.655 1.661 -2.891 1.00 0.00 C ATOM 608 C GLY A 42 20.462 0.530 -3.532 1.00 0.00 C ATOM 609 O GLY A 42 21.310 -0.079 -2.881 1.00 0.00 O ATOM 0 H GLY A 42 21.136 3.011 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 19.294 1.346 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.777 1.877 -3.500 1.00 0.00 H new ATOM 613 N GLY A 43 20.170 0.282 -4.800 1.00 0.00 N ATOM 614 CA GLY A 43 20.857 -0.765 -5.536 1.00 0.00 C ATOM 615 C GLY A 43 20.096 -2.089 -5.446 1.00 0.00 C ATOM 616 O GLY A 43 20.155 -2.907 -6.363 1.00 0.00 O ATOM 0 H GLY A 43 19.466 0.789 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.961 -0.472 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.864 -0.893 -5.139 1.00 0.00 H new ATOM 620 N CYS A 44 19.398 -2.259 -4.332 1.00 0.00 N ATOM 621 CA CYS A 44 18.627 -3.470 -4.111 1.00 0.00 C ATOM 622 C CYS A 44 17.225 -3.258 -4.686 1.00 0.00 C ATOM 623 O CYS A 44 16.931 -2.201 -5.241 1.00 0.00 O ATOM 624 CB CYS A 44 18.584 -3.851 -2.629 1.00 0.00 C ATOM 625 SG CYS A 44 20.285 -3.954 -1.961 1.00 0.00 S ATOM 0 H CYS A 44 19.351 -1.578 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 44 19.105 -4.307 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.009 -3.112 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.077 -4.808 -2.505 1.00 0.00 H new ATOM 0 HG CYS A 44 20.238 -4.276 -0.702 1.00 0.00 H new ATOM 631 N ASP A 45 16.396 -4.281 -4.533 1.00 0.00 N ATOM 632 CA ASP A 45 15.032 -4.220 -5.030 1.00 0.00 C ATOM 633 C ASP A 45 14.166 -3.444 -4.035 1.00 0.00 C ATOM 634 O ASP A 45 14.268 -3.648 -2.827 1.00 0.00 O ATOM 635 CB ASP A 45 14.438 -5.622 -5.182 1.00 0.00 C ATOM 636 CG ASP A 45 15.464 -6.742 -5.364 1.00 0.00 C ATOM 637 OD1 ASP A 45 16.409 -6.524 -6.152 1.00 0.00 O ATOM 638 OD2 ASP A 45 15.279 -7.792 -4.711 1.00 0.00 O ATOM 0 H ASP A 45 16.643 -5.157 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 45 15.049 -3.728 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.834 -5.842 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.764 -5.624 -6.039 1.00 0.00 H new ATOM 643 N CYS A 46 13.332 -2.571 -4.581 1.00 0.00 N ATOM 644 CA CYS A 46 12.448 -1.764 -3.757 1.00 0.00 C ATOM 645 C CYS A 46 11.003 -2.127 -4.105 1.00 0.00 C ATOM 646 O CYS A 46 10.751 -2.801 -5.102 1.00 0.00 O ATOM 647 CB CYS A 46 12.719 -0.269 -3.934 1.00 0.00 C ATOM 648 SG CYS A 46 12.627 0.179 -5.706 1.00 0.00 S ATOM 0 H CYS A 46 13.250 -2.405 -5.584 1.00 0.00 H new ATOM 0 HA CYS A 46 12.632 -1.978 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.991 0.311 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.704 -0.020 -3.538 1.00 0.00 H new ATOM 0 HG CYS A 46 12.857 1.451 -5.844 1.00 0.00 H new ATOM 654 N TYR A 47 10.092 -1.665 -3.262 1.00 0.00 N ATOM 655 CA TYR A 47 8.678 -1.932 -3.467 1.00 0.00 C ATOM 656 C TYR A 47 7.813 -0.918 -2.716 1.00 0.00 C ATOM 657 O TYR A 47 8.277 -0.280 -1.772 1.00 0.00 O ATOM 658 CB TYR A 47 8.425 -3.327 -2.891 1.00 0.00 C ATOM 659 CG TYR A 47 8.864 -3.487 -1.435 1.00 0.00 C ATOM 660 CD1 TYR A 47 8.055 -3.029 -0.415 1.00 0.00 C ATOM 661 CD2 TYR A 47 10.070 -4.091 -1.140 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.468 -3.181 0.956 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.484 -4.242 0.231 1.00 0.00 C ATOM 664 CZ TYR A 47 9.662 -3.780 1.211 1.00 0.00 C ATOM 665 OH TYR A 47 10.053 -3.923 2.506 1.00 0.00 O ATOM 0 H TYR A 47 10.305 -1.107 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 47 8.424 -1.864 -4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.361 -3.553 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.950 -4.062 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.112 -2.556 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.703 -4.450 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.844 -2.827 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.426 -4.711 0.475 1.00 0.00 H new ATOM 0 HH TYR A 47 10.925 -4.369 2.537 1.00 0.00 H new ATOM 675 N VAL A 48 6.571 -0.802 -3.162 1.00 0.00 N ATOM 676 CA VAL A 48 5.637 0.123 -2.543 1.00 0.00 C ATOM 677 C VAL A 48 4.867 -0.600 -1.437 1.00 0.00 C ATOM 678 O VAL A 48 4.510 -1.768 -1.585 1.00 0.00 O ATOM 679 CB VAL A 48 4.723 0.734 -3.607 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.009 1.976 -3.070 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.506 1.060 -4.881 1.00 0.00 C ATOM 0 H VAL A 48 6.190 -1.333 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 48 6.172 0.952 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 48 3.963 -0.006 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.366 2.390 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.404 1.703 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.748 2.721 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.833 1.493 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.297 1.773 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.946 0.147 -5.281 1.00 0.00 H new ATOM 691 N GLN A 49 4.633 0.124 -0.352 1.00 0.00 N ATOM 692 CA GLN A 49 3.911 -0.434 0.779 1.00 0.00 C ATOM 693 C GLN A 49 2.836 0.544 1.258 1.00 0.00 C ATOM 694 O GLN A 49 3.126 1.711 1.518 1.00 0.00 O ATOM 695 CB GLN A 49 4.869 -0.796 1.916 1.00 0.00 C ATOM 696 CG GLN A 49 4.116 -1.438 3.083 1.00 0.00 C ATOM 697 CD GLN A 49 4.635 -0.915 4.424 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.676 -0.283 4.512 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.855 -1.212 5.459 1.00 0.00 N ATOM 0 H GLN A 49 4.931 1.092 -0.232 1.00 0.00 H new ATOM 0 HA GLN A 49 3.420 -1.352 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.632 -1.483 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.385 0.100 2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.051 -1.226 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.230 -2.521 3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.997 -1.744 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.115 -0.907 6.397 1.00 0.00 H new ATOM 708 N GLY A 50 1.618 0.033 1.359 1.00 0.00 N ATOM 709 CA GLY A 50 0.499 0.847 1.802 1.00 0.00 C ATOM 710 C GLY A 50 -0.141 0.260 3.062 1.00 0.00 C ATOM 711 O GLY A 50 -0.521 -0.910 3.082 1.00 0.00 O ATOM 0 H GLY A 50 1.381 -0.935 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.840 1.863 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.245 0.912 1.008 1.00 0.00 H new ATOM 715 N SER A 51 -0.239 1.099 4.083 1.00 0.00 N ATOM 716 CA SER A 51 -0.826 0.678 5.344 1.00 0.00 C ATOM 717 C SER A 51 -2.057 1.530 5.658 1.00 0.00 C ATOM 718 O SER A 51 -2.133 2.690 5.256 1.00 0.00 O ATOM 719 CB SER A 51 0.190 0.773 6.483 1.00 0.00 C ATOM 720 OG SER A 51 -0.169 -0.051 7.589 1.00 0.00 O ATOM 0 H SER A 51 0.078 2.068 4.063 1.00 0.00 H new ATOM 0 HA SER A 51 -1.128 -0.365 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.174 0.480 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.269 1.809 6.813 1.00 0.00 H new ATOM 0 HG SER A 51 0.505 0.036 8.295 1.00 0.00 H new ATOM 726 N VAL A 52 -2.992 0.921 6.373 1.00 0.00 N ATOM 727 CA VAL A 52 -4.216 1.609 6.745 1.00 0.00 C ATOM 728 C VAL A 52 -4.532 1.321 8.214 1.00 0.00 C ATOM 729 O VAL A 52 -4.306 0.211 8.695 1.00 0.00 O ATOM 730 CB VAL A 52 -5.351 1.208 5.800 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.658 1.004 6.568 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.525 2.240 4.684 1.00 0.00 C ATOM 0 H VAL A 52 -2.926 -0.041 6.704 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.093 2.687 6.644 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.083 0.258 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.448 0.720 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.525 0.215 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.933 1.931 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.338 1.931 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.760 3.211 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.602 2.314 4.110 1.00 0.00 H new ATOM 742 N ALA A 53 -5.049 2.339 8.886 1.00 0.00 N ATOM 743 CA ALA A 53 -5.397 2.208 10.291 1.00 0.00 C ATOM 744 C ALA A 53 -6.838 2.680 10.500 1.00 0.00 C ATOM 745 O ALA A 53 -7.133 3.866 10.361 1.00 0.00 O ATOM 746 CB ALA A 53 -4.397 2.995 11.141 1.00 0.00 C ATOM 0 H ALA A 53 -5.235 3.258 8.484 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.342 1.166 10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.658 2.897 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.393 2.603 10.978 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.426 4.047 10.857 1.00 0.00 H new ATOM 752 N ASN A 54 -7.696 1.726 10.831 1.00 0.00 N ATOM 753 CA ASN A 54 -9.099 2.029 11.060 1.00 0.00 C ATOM 754 C ASN A 54 -9.394 1.951 12.560 1.00 0.00 C ATOM 755 O ASN A 54 -8.493 1.712 13.362 1.00 0.00 O ATOM 756 CB ASN A 54 -10.004 1.022 10.347 1.00 0.00 C ATOM 757 CG ASN A 54 -9.294 -0.321 10.168 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.855 -0.953 11.115 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.207 -0.722 8.902 1.00 0.00 N ATOM 0 H ASN A 54 -7.447 0.744 10.946 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.296 3.028 10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.919 0.880 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.296 1.416 9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.752 -1.607 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.596 -0.145 8.156 1.00 0.00 H new ATOM 766 N ARG A 55 -10.660 2.156 12.893 1.00 0.00 N ATOM 767 CA ARG A 55 -11.085 2.111 14.281 1.00 0.00 C ATOM 768 C ARG A 55 -11.328 0.665 14.716 1.00 0.00 C ATOM 769 O ARG A 55 -11.793 0.416 15.828 1.00 0.00 O ATOM 770 CB ARG A 55 -12.366 2.921 14.491 1.00 0.00 C ATOM 771 CG ARG A 55 -12.101 4.151 15.363 1.00 0.00 C ATOM 772 CD ARG A 55 -13.385 4.952 15.585 1.00 0.00 C ATOM 773 NE ARG A 55 -13.055 6.314 16.064 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.969 7.251 16.351 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.274 6.980 16.210 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.578 8.459 16.779 1.00 0.00 N ATOM 0 H ARG A 55 -11.405 2.354 12.225 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.289 2.547 14.885 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.765 3.234 13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.124 2.294 14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.692 3.839 16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.351 4.783 14.888 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.952 5.012 14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.019 4.445 16.313 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.071 6.554 16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.572 6.060 15.884 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.970 7.693 16.429 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.585 8.665 16.886 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.274 9.172 16.997 1.00 0.00 H new ATOM 790 N THR A 56 -11.002 -0.252 13.817 1.00 0.00 N ATOM 791 CA THR A 56 -11.179 -1.668 14.094 1.00 0.00 C ATOM 792 C THR A 56 -9.821 -2.369 14.172 1.00 0.00 C ATOM 793 O THR A 56 -9.668 -3.355 14.892 1.00 0.00 O ATOM 794 CB THR A 56 -12.102 -2.248 13.021 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.562 -1.758 11.796 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.509 -1.650 13.073 1.00 0.00 C ATOM 0 H THR A 56 -10.616 -0.042 12.896 1.00 0.00 H new ATOM 0 HA THR A 56 -11.648 -1.826 15.065 1.00 0.00 H new ATOM 0 HB THR A 56 -12.163 -3.330 13.141 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.285 -1.399 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.123 -2.096 12.291 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.956 -1.855 14.046 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.452 -0.572 12.920 1.00 0.00 H new ATOM 804 N GLY A 57 -8.870 -1.834 13.421 1.00 0.00 N ATOM 805 CA GLY A 57 -7.531 -2.396 13.396 1.00 0.00 C ATOM 806 C GLY A 57 -6.648 -1.664 12.383 1.00 0.00 C ATOM 807 O GLY A 57 -6.495 -0.446 12.453 1.00 0.00 O ATOM 0 H GLY A 57 -9.001 -1.017 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.085 -2.328 14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.582 -3.455 13.142 1.00 0.00 H new ATOM 811 N SER A 58 -6.089 -2.439 11.465 1.00 0.00 N ATOM 812 CA SER A 58 -5.225 -1.879 10.439 1.00 0.00 C ATOM 813 C SER A 58 -4.920 -2.938 9.378 1.00 0.00 C ATOM 814 O SER A 58 -5.005 -4.135 9.647 1.00 0.00 O ATOM 815 CB SER A 58 -3.926 -1.345 11.044 1.00 0.00 C ATOM 816 OG SER A 58 -3.468 -2.153 12.125 1.00 0.00 O ATOM 0 H SER A 58 -6.217 -3.449 11.410 1.00 0.00 H new ATOM 0 HA SER A 58 -5.746 -1.044 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.157 -1.303 10.272 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.082 -0.325 11.395 1.00 0.00 H new ATOM 0 HG SER A 58 -2.636 -1.780 12.483 1.00 0.00 H new ATOM 822 N VAL A 59 -4.570 -2.459 8.193 1.00 0.00 N ATOM 823 CA VAL A 59 -4.251 -3.349 7.090 1.00 0.00 C ATOM 824 C VAL A 59 -3.025 -2.815 6.347 1.00 0.00 C ATOM 825 O VAL A 59 -2.722 -1.625 6.417 1.00 0.00 O ATOM 826 CB VAL A 59 -5.472 -3.518 6.184 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.355 -4.673 6.663 1.00 0.00 C ATOM 828 CG2 VAL A 59 -6.273 -2.217 6.094 1.00 0.00 C ATOM 0 H VAL A 59 -4.500 -1.465 7.973 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.999 -4.342 7.462 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.115 -3.762 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.216 -4.771 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.781 -5.599 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.698 -4.472 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.135 -2.365 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.614 -1.930 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.641 -1.428 5.685 1.00 0.00 H new ATOM 838 N GLU A 60 -2.353 -3.721 5.651 1.00 0.00 N ATOM 839 CA GLU A 60 -1.167 -3.356 4.895 1.00 0.00 C ATOM 840 C GLU A 60 -1.117 -4.132 3.578 1.00 0.00 C ATOM 841 O GLU A 60 -1.846 -5.106 3.399 1.00 0.00 O ATOM 842 CB GLU A 60 0.101 -3.590 5.719 1.00 0.00 C ATOM 843 CG GLU A 60 0.314 -2.462 6.731 1.00 0.00 C ATOM 844 CD GLU A 60 1.323 -2.872 7.805 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.251 -4.044 8.234 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.145 -2.005 8.172 1.00 0.00 O ATOM 0 H GLU A 60 -2.608 -4.707 5.595 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.220 -2.292 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.028 -4.544 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.963 -3.656 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.668 -1.569 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.636 -2.204 7.199 1.00 0.00 H new ATOM 853 N ALA A 61 -0.248 -3.672 2.690 1.00 0.00 N ATOM 854 CA ALA A 61 -0.093 -4.311 1.394 1.00 0.00 C ATOM 855 C ALA A 61 1.108 -3.701 0.670 1.00 0.00 C ATOM 856 O ALA A 61 1.616 -2.656 1.073 1.00 0.00 O ATOM 857 CB ALA A 61 -1.390 -4.168 0.595 1.00 0.00 C ATOM 0 H ALA A 61 0.356 -2.864 2.842 1.00 0.00 H new ATOM 0 HA ALA A 61 0.100 -5.377 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.273 -4.647 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.206 -4.644 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.616 -3.111 0.453 1.00 0.00 H new ATOM 863 N GLN A 62 1.529 -4.380 -0.388 1.00 0.00 N ATOM 864 CA GLN A 62 2.661 -3.918 -1.172 1.00 0.00 C ATOM 865 C GLN A 62 2.558 -4.434 -2.609 1.00 0.00 C ATOM 866 O GLN A 62 1.729 -5.294 -2.905 1.00 0.00 O ATOM 867 CB GLN A 62 3.983 -4.343 -0.530 1.00 0.00 C ATOM 868 CG GLN A 62 3.948 -5.819 -0.129 1.00 0.00 C ATOM 869 CD GLN A 62 4.500 -6.705 -1.247 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.769 -7.301 -2.021 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.828 -6.758 -1.289 1.00 0.00 N ATOM 0 H GLN A 62 1.106 -5.247 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 62 2.641 -2.828 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.802 -4.171 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.179 -3.728 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.533 -5.967 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.924 -6.113 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.381 -6.234 -0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.294 -7.322 -2.000 1.00 0.00 H new ATOM 880 N THR A 63 3.410 -3.888 -3.463 1.00 0.00 N ATOM 881 CA THR A 63 3.426 -4.283 -4.861 1.00 0.00 C ATOM 882 C THR A 63 4.577 -5.253 -5.129 1.00 0.00 C ATOM 883 O THR A 63 5.324 -5.603 -4.216 1.00 0.00 O ATOM 884 CB THR A 63 3.492 -3.012 -5.711 1.00 0.00 C ATOM 885 OG1 THR A 63 4.619 -2.308 -5.195 1.00 0.00 O ATOM 886 CG2 THR A 63 2.314 -2.071 -5.450 1.00 0.00 C ATOM 0 H THR A 63 4.095 -3.175 -3.214 1.00 0.00 H new ATOM 0 HA THR A 63 2.518 -4.824 -5.129 1.00 0.00 H new ATOM 0 HB THR A 63 3.514 -3.282 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.269 -2.161 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.410 -1.185 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.381 -2.583 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.311 -1.773 -4.401 1.00 0.00 H new ATOM 894 N ALA A 64 4.685 -5.662 -6.385 1.00 0.00 N ATOM 895 CA ALA A 64 5.734 -6.585 -6.784 1.00 0.00 C ATOM 896 C ALA A 64 7.056 -5.826 -6.910 1.00 0.00 C ATOM 897 O ALA A 64 7.092 -4.721 -7.451 1.00 0.00 O ATOM 898 CB ALA A 64 5.333 -7.279 -8.087 1.00 0.00 C ATOM 0 H ALA A 64 4.063 -5.371 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 64 5.871 -7.360 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.119 -7.972 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.404 -7.828 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.190 -6.532 -8.868 1.00 0.00 H new ATOM 904 N LEU A 65 8.110 -6.448 -6.402 1.00 0.00 N ATOM 905 CA LEU A 65 9.430 -5.844 -6.451 1.00 0.00 C ATOM 906 C LEU A 65 9.705 -5.342 -7.870 1.00 0.00 C ATOM 907 O LEU A 65 9.237 -5.933 -8.843 1.00 0.00 O ATOM 908 CB LEU A 65 10.486 -6.821 -5.930 1.00 0.00 C ATOM 909 CG LEU A 65 10.807 -6.728 -4.436 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.514 -5.412 -4.109 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.547 -6.927 -3.591 1.00 0.00 C ATOM 0 H LEU A 65 8.076 -7.364 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 65 9.476 -4.978 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.152 -7.836 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.407 -6.662 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 65 11.495 -7.535 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.731 -5.371 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.446 -5.350 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.870 -4.576 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.803 -6.856 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.817 -6.157 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.123 -7.910 -3.796 1.00 0.00 H new ATOM 923 N LYS A 66 10.461 -4.257 -7.944 1.00 0.00 N ATOM 924 CA LYS A 66 10.804 -3.669 -9.228 1.00 0.00 C ATOM 925 C LYS A 66 12.221 -3.097 -9.160 1.00 0.00 C ATOM 926 O LYS A 66 12.613 -2.520 -8.147 1.00 0.00 O ATOM 927 CB LYS A 66 9.746 -2.647 -9.648 1.00 0.00 C ATOM 928 CG LYS A 66 8.557 -3.333 -10.323 1.00 0.00 C ATOM 929 CD LYS A 66 8.411 -2.873 -11.775 1.00 0.00 C ATOM 930 CE LYS A 66 7.089 -3.358 -12.373 1.00 0.00 C ATOM 931 NZ LYS A 66 6.876 -2.764 -13.712 1.00 0.00 N ATOM 0 H LYS A 66 10.846 -3.769 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 66 10.805 -4.430 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.403 -2.094 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.187 -1.921 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.691 -4.414 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.643 -3.109 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.458 -1.785 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.243 -3.254 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.094 -4.445 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.264 -3.088 -11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.018 -3.168 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.765 -1.734 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.695 -2.972 -14.318 1.00 0.00 H new ATOM 945 N LYS A 67 12.950 -3.276 -10.252 1.00 0.00 N ATOM 946 CA LYS A 67 14.315 -2.784 -10.329 1.00 0.00 C ATOM 947 C LYS A 67 14.314 -1.263 -10.169 1.00 0.00 C ATOM 948 O LYS A 67 13.537 -0.566 -10.820 1.00 0.00 O ATOM 949 CB LYS A 67 14.986 -3.266 -11.617 1.00 0.00 C ATOM 950 CG LYS A 67 16.138 -2.341 -12.014 1.00 0.00 C ATOM 951 CD LYS A 67 17.348 -3.147 -12.492 1.00 0.00 C ATOM 952 CE LYS A 67 17.029 -3.902 -13.783 1.00 0.00 C ATOM 953 NZ LYS A 67 18.010 -4.988 -14.005 1.00 0.00 N ATOM 0 H LYS A 67 12.621 -3.755 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 67 14.913 -3.190 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.360 -4.280 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.252 -3.304 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.811 -1.666 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.422 -1.722 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.193 -2.478 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.647 -3.854 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.023 -4.318 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.044 -3.213 -14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.778 -5.490 -14.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.965 -4.583 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.976 -5.655 -13.207 1.00 0.00 H new ATOM 967 N ARG A 68 15.194 -0.791 -9.297 1.00 0.00 N ATOM 968 CA ARG A 68 15.304 0.635 -9.043 1.00 0.00 C ATOM 969 C ARG A 68 15.482 1.397 -10.358 1.00 0.00 C ATOM 970 O ARG A 68 16.322 1.035 -11.181 1.00 0.00 O ATOM 971 CB ARG A 68 16.487 0.940 -8.122 1.00 0.00 C ATOM 972 CG ARG A 68 17.813 0.583 -8.795 1.00 0.00 C ATOM 973 CD ARG A 68 18.693 -0.254 -7.864 1.00 0.00 C ATOM 974 NE ARG A 68 19.595 -1.117 -8.659 1.00 0.00 N ATOM 975 CZ ARG A 68 20.721 -0.688 -9.245 1.00 0.00 C ATOM 976 NH1 ARG A 68 21.091 0.595 -9.128 1.00 0.00 N ATOM 977 NH2 ARG A 68 21.478 -1.542 -9.947 1.00 0.00 N ATOM 0 H ARG A 68 15.837 -1.371 -8.758 1.00 0.00 H new ATOM 0 HA ARG A 68 14.384 0.956 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.483 1.997 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.384 0.378 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.621 0.030 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.339 1.495 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.278 0.400 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.069 -0.867 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 68 19.344 -2.100 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.515 1.245 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.948 0.921 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.197 -2.519 -10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.335 -1.216 -10.393 1.00 0.00 H new ATOM 991 N GLN A 69 14.677 2.437 -10.515 1.00 0.00 N ATOM 992 CA GLN A 69 14.734 3.253 -11.717 1.00 0.00 C ATOM 993 C GLN A 69 14.369 4.703 -11.391 1.00 0.00 C ATOM 994 O GLN A 69 13.687 4.969 -10.403 1.00 0.00 O ATOM 995 CB GLN A 69 13.820 2.689 -12.806 1.00 0.00 C ATOM 996 CG GLN A 69 14.349 1.352 -13.328 1.00 0.00 C ATOM 997 CD GLN A 69 15.640 1.546 -14.126 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.695 1.039 -13.783 1.00 0.00 O ATOM 999 NE2 GLN A 69 15.498 2.308 -15.207 1.00 0.00 N ATOM 0 H GLN A 69 13.982 2.734 -9.830 1.00 0.00 H new ATOM 0 HA GLN A 69 15.755 3.233 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.814 2.556 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.746 3.401 -13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.532 0.678 -12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.595 0.880 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.586 2.702 -15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.301 2.498 -15.806 1.00 0.00 H new ATOM 1008 N LEU A 70 14.840 5.603 -12.242 1.00 0.00 N ATOM 1009 CA LEU A 70 14.572 7.019 -12.058 1.00 0.00 C ATOM 1010 C LEU A 70 13.062 7.257 -12.096 1.00 0.00 C ATOM 1011 O LEU A 70 12.583 8.304 -11.661 1.00 0.00 O ATOM 1012 CB LEU A 70 15.352 7.850 -13.079 1.00 0.00 C ATOM 1013 CG LEU A 70 16.852 8.001 -12.817 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.651 6.939 -13.575 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.326 9.418 -13.145 1.00 0.00 C ATOM 0 H LEU A 70 15.406 5.379 -13.061 1.00 0.00 H new ATOM 0 HA LEU A 70 14.922 7.349 -11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.219 7.399 -14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.909 8.845 -13.122 1.00 0.00 H new ATOM 0 HG LEU A 70 17.031 7.840 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.714 7.069 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.338 5.947 -13.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.471 7.043 -14.645 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.395 9.498 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.132 9.633 -14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.789 10.134 -12.523 1.00 0.00 H new ATOM 1027 N HIS A 71 12.352 6.269 -12.620 1.00 0.00 N ATOM 1028 CA HIS A 71 10.905 6.358 -12.721 1.00 0.00 C ATOM 1029 C HIS A 71 10.311 4.952 -12.822 1.00 0.00 C ATOM 1030 O HIS A 71 9.911 4.519 -13.902 1.00 0.00 O ATOM 1031 CB HIS A 71 10.496 7.260 -13.887 1.00 0.00 C ATOM 1032 CG HIS A 71 9.102 7.827 -13.765 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.467 8.484 -14.804 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.228 7.827 -12.718 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.266 8.860 -14.390 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.120 8.452 -13.096 1.00 0.00 N ATOM 0 H HIS A 71 12.752 5.402 -12.979 1.00 0.00 H new ATOM 0 HA HIS A 71 10.502 6.822 -11.821 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.207 8.083 -13.963 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.566 6.692 -14.815 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.407 7.392 -11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.532 9.395 -14.974 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.295 8.603 -12.515 1.00 0.00 H new ATOM 1044 N THR A 72 10.271 4.277 -11.682 1.00 0.00 N ATOM 1045 CA THR A 72 9.732 2.929 -11.629 1.00 0.00 C ATOM 1046 C THR A 72 8.206 2.960 -11.739 1.00 0.00 C ATOM 1047 O THR A 72 7.568 3.915 -11.298 1.00 0.00 O ATOM 1048 CB THR A 72 10.235 2.270 -10.343 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.638 2.133 -10.549 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.739 0.830 -10.190 1.00 0.00 C ATOM 0 H THR A 72 10.603 4.639 -10.788 1.00 0.00 H new ATOM 0 HA THR A 72 10.075 2.332 -12.474 1.00 0.00 H new ATOM 0 HB THR A 72 9.913 2.858 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.045 1.715 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.125 0.409 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.649 0.821 -10.167 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.089 0.233 -11.032 1.00 0.00 H new ATOM 1058 N THR A 73 7.666 1.904 -12.330 1.00 0.00 N ATOM 1059 CA THR A 73 6.227 1.799 -12.504 1.00 0.00 C ATOM 1060 C THR A 73 5.760 0.369 -12.225 1.00 0.00 C ATOM 1061 O THR A 73 6.522 -0.582 -12.398 1.00 0.00 O ATOM 1062 CB THR A 73 5.884 2.286 -13.913 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.676 1.465 -14.767 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.393 3.704 -14.182 1.00 0.00 C ATOM 0 H THR A 73 8.199 1.114 -12.694 1.00 0.00 H new ATOM 0 HA THR A 73 5.695 2.427 -11.789 1.00 0.00 H new ATOM 0 HB THR A 73 4.804 2.255 -14.055 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.514 1.713 -15.701 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.123 4.001 -15.195 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.941 4.394 -13.469 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.477 3.728 -14.073 1.00 0.00 H new ATOM 1072 N TRP A 74 4.511 0.261 -11.797 1.00 0.00 N ATOM 1073 CA TRP A 74 3.933 -1.037 -11.493 1.00 0.00 C ATOM 1074 C TRP A 74 2.724 -1.242 -12.407 1.00 0.00 C ATOM 1075 O TRP A 74 2.402 -0.377 -13.221 1.00 0.00 O ATOM 1076 CB TRP A 74 3.585 -1.147 -10.007 1.00 0.00 C ATOM 1077 CG TRP A 74 4.797 -1.367 -9.099 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.266 -2.525 -8.616 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.679 -0.349 -8.582 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.382 -2.329 -7.828 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.641 -0.964 -7.806 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.665 1.045 -8.763 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.661 -0.263 -7.151 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.690 1.731 -8.101 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.666 1.127 -7.317 1.00 0.00 C ATOM 0 H TRP A 74 3.883 1.052 -11.653 1.00 0.00 H new ATOM 0 HA TRP A 74 4.652 -1.834 -11.683 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.071 -0.237 -9.696 1.00 0.00 H new ATOM 0 HB3 TRP A 74 2.885 -1.971 -9.868 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.826 -3.491 -8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 74 6.918 -3.053 -7.350 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.922 1.547 -9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.404 -0.767 -6.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.725 2.805 -8.207 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.425 1.728 -6.838 1.00 0.00 H new ATOM 1096 N GLU A 75 2.086 -2.392 -12.242 1.00 0.00 N ATOM 1097 CA GLU A 75 0.919 -2.722 -13.043 1.00 0.00 C ATOM 1098 C GLU A 75 -0.335 -2.746 -12.167 1.00 0.00 C ATOM 1099 O GLU A 75 -1.412 -2.345 -12.607 1.00 0.00 O ATOM 1100 CB GLU A 75 1.109 -4.057 -13.765 1.00 0.00 C ATOM 1101 CG GLU A 75 0.523 -4.004 -15.178 1.00 0.00 C ATOM 1102 CD GLU A 75 0.395 -5.409 -15.771 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.402 -5.877 -16.345 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.707 -5.983 -15.636 1.00 0.00 O ATOM 0 H GLU A 75 2.355 -3.107 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 75 0.794 -1.951 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.171 -4.299 -13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.628 -4.853 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.456 -3.526 -15.152 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.160 -3.392 -15.817 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.155 -3.220 -10.943 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.259 -3.302 -10.002 1.00 0.00 C ATOM 1113 C GLU A 76 -1.135 -2.206 -8.942 1.00 0.00 C ATOM 1114 O GLU A 76 -0.231 -1.374 -9.007 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.326 -4.686 -9.354 1.00 0.00 C ATOM 1116 CG GLU A 76 -0.102 -4.938 -8.471 1.00 0.00 C ATOM 1117 CD GLU A 76 -0.089 -6.377 -7.950 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.264 -7.268 -8.752 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -0.432 -6.552 -6.761 1.00 0.00 O ATOM 0 H GLU A 76 0.739 -3.551 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.189 -3.148 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.233 -4.768 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.384 -5.451 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.807 -4.745 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.106 -4.243 -7.631 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.056 -2.240 -7.990 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.060 -1.260 -6.917 1.00 0.00 C ATOM 1128 C GLY A 77 -2.218 -1.939 -5.555 1.00 0.00 C ATOM 1129 O GLY A 77 -2.415 -3.151 -5.480 1.00 0.00 O ATOM 0 H GLY A 77 -2.805 -2.931 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.132 -0.689 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.873 -0.551 -7.070 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.124 -1.128 -4.511 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.253 -1.635 -3.156 1.00 0.00 C ATOM 1135 C LEU A 78 -3.712 -1.520 -2.710 1.00 0.00 C ATOM 1136 O LEU A 78 -4.280 -0.428 -2.708 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.267 -0.929 -2.223 1.00 0.00 C ATOM 1138 CG LEU A 78 0.184 -0.867 -2.704 1.00 0.00 C ATOM 1139 CD1 LEU A 78 1.000 0.112 -1.858 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.812 -2.262 -2.732 1.00 0.00 C ATOM 0 H LEU A 78 -1.960 -0.123 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.990 -2.692 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.618 0.090 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.287 -1.433 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 78 0.189 -0.491 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.028 0.137 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.564 1.108 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.990 -0.211 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.843 -2.190 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.794 -2.689 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.246 -2.902 -3.409 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.278 -2.660 -2.343 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.660 -2.701 -1.896 1.00 0.00 C ATOM 1154 C VAL A 79 -5.703 -3.114 -0.423 1.00 0.00 C ATOM 1155 O VAL A 79 -5.029 -4.060 -0.020 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.475 -3.627 -2.800 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.560 -4.464 -3.695 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.403 -4.521 -1.976 1.00 0.00 C ATOM 0 H VAL A 79 -3.804 -3.563 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.115 -1.713 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.096 -3.004 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.165 -5.114 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.960 -3.804 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.902 -5.072 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.971 -5.169 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.810 -5.131 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.091 -3.900 -1.402 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.502 -2.383 0.340 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.642 -2.661 1.759 1.00 0.00 C ATOM 1170 C LEU A 80 -8.122 -2.600 2.143 1.00 0.00 C ATOM 1171 O LEU A 80 -8.870 -1.778 1.616 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.755 -1.723 2.580 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.295 -1.621 2.135 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.837 -0.162 2.085 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.390 -2.476 3.024 1.00 0.00 C ATOM 0 H LEU A 80 -7.059 -1.598 0.002 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.294 -3.669 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.193 -0.725 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.775 -2.052 3.619 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.218 -2.017 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.796 -0.118 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.457 0.390 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.932 0.283 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.358 -2.386 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.465 -2.134 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.701 -3.519 2.964 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.510 -3.505 3.082 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.887 -3.561 3.542 1.00 0.00 C ATOM 1189 C PRO A 81 -10.199 -2.397 4.485 1.00 0.00 C ATOM 1190 O PRO A 81 -9.565 -2.253 5.530 1.00 0.00 O ATOM 1191 CB PRO A 81 -10.023 -4.919 4.211 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.606 -5.379 4.512 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.652 -4.493 3.728 1.00 0.00 C ATOM 0 HA PRO A 81 -10.606 -3.457 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.613 -4.847 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.533 -5.627 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.401 -5.309 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.476 -6.424 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.924 -4.016 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.089 -5.069 2.994 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.174 -1.596 4.082 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.577 -0.449 4.878 1.00 0.00 C ATOM 1203 C LEU A 82 -13.086 -0.239 4.734 1.00 0.00 C ATOM 1204 O LEU A 82 -13.610 -0.218 3.621 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.746 0.780 4.505 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.194 2.106 5.125 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -12.211 2.814 4.229 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.728 1.895 6.543 1.00 0.00 C ATOM 0 H LEU A 82 -11.697 -1.718 3.215 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.380 -0.630 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.712 0.597 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.758 0.886 3.420 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.324 2.758 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.513 3.753 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.761 3.017 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.086 2.177 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.039 2.852 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.581 1.217 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.944 1.465 7.167 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.742 -0.088 5.875 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.180 0.120 5.891 1.00 0.00 C ATOM 1222 C ALA A 83 -15.482 1.587 5.580 1.00 0.00 C ATOM 1223 O ALA A 83 -14.810 2.484 6.088 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.745 -0.318 7.243 1.00 0.00 C ATOM 0 H ALA A 83 -13.304 -0.106 6.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.664 -0.486 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.824 -0.162 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.530 -1.375 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.285 0.270 8.037 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.493 1.787 4.747 1.00 0.00 N ATOM 1231 CA GLU A 84 -16.892 3.130 4.363 1.00 0.00 C ATOM 1232 C GLU A 84 -17.202 3.967 5.605 1.00 0.00 C ATOM 1233 O GLU A 84 -17.067 5.190 5.584 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.090 3.095 3.412 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.248 4.430 2.681 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.724 4.812 2.553 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.514 3.914 2.190 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.029 5.995 2.820 1.00 0.00 O ATOM 0 H GLU A 84 -17.048 1.041 4.327 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.062 3.597 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.960 2.292 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.998 2.874 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.712 5.210 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.799 4.362 1.690 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.613 3.276 6.658 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.944 3.941 7.907 1.00 0.00 C ATOM 1247 C GLU A 85 -16.668 4.315 8.664 1.00 0.00 C ATOM 1248 O GLU A 85 -16.712 5.093 9.615 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.856 3.065 8.769 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.141 1.781 9.195 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.649 1.296 10.554 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.005 2.171 11.372 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.669 0.061 10.745 1.00 0.00 O ATOM 0 H GLU A 85 -17.724 2.262 6.672 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.487 4.857 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.171 3.620 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.759 2.815 8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.300 1.006 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.067 1.959 9.246 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.561 3.743 8.212 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.275 4.006 8.835 1.00 0.00 C ATOM 1262 C GLU A 86 -13.434 4.924 7.946 1.00 0.00 C ATOM 1263 O GLU A 86 -12.326 5.309 8.317 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.533 2.702 9.134 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.364 1.795 10.045 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.475 1.079 11.063 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.934 0.014 10.694 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -13.356 1.612 12.187 1.00 0.00 O ATOM 0 H GLU A 86 -15.528 3.099 7.422 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.450 4.511 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.312 2.183 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.577 2.924 9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.116 2.388 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.899 1.060 9.443 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.992 5.249 6.789 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.306 6.115 5.844 1.00 0.00 C ATOM 1277 C LEU A 87 -12.804 7.363 6.574 1.00 0.00 C ATOM 1278 O LEU A 87 -11.629 7.711 6.478 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.209 6.423 4.648 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.136 5.437 3.481 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.293 5.658 2.504 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.776 5.510 2.785 1.00 0.00 C ATOM 0 H LEU A 87 -14.911 4.928 6.484 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.431 5.613 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.240 6.465 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.958 7.416 4.275 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.239 4.428 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.218 4.944 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.240 5.515 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.246 6.672 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.751 4.799 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.617 6.518 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.989 5.266 3.498 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.745 8.018 7.306 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.410 9.219 8.051 1.00 0.00 C ATOM 1296 C PRO A 88 -12.616 8.877 9.314 1.00 0.00 C ATOM 1297 O PRO A 88 -12.031 9.759 9.941 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.745 9.882 8.350 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.797 8.799 8.170 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.147 7.634 7.442 1.00 0.00 C ATOM 0 HA PRO A 88 -12.762 9.894 7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.765 10.281 9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.926 10.718 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.183 8.477 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.644 9.181 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.251 6.707 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.608 7.468 6.469 1.00 0.00 H new ATOM 1308 N THR A 89 -12.621 7.596 9.648 1.00 0.00 N ATOM 1309 CA THR A 89 -11.908 7.126 10.825 1.00 0.00 C ATOM 1310 C THR A 89 -10.766 6.192 10.419 1.00 0.00 C ATOM 1311 O THR A 89 -10.370 5.320 11.190 1.00 0.00 O ATOM 1312 CB THR A 89 -12.924 6.472 11.763 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.041 5.139 11.274 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.330 7.053 11.601 1.00 0.00 C ATOM 0 H THR A 89 -13.107 6.868 9.125 1.00 0.00 H new ATOM 0 HA THR A 89 -11.437 7.952 11.358 1.00 0.00 H new ATOM 0 HB THR A 89 -12.597 6.597 12.795 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.187 4.673 11.388 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.012 6.554 12.290 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.310 8.121 11.820 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.672 6.899 10.577 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.270 6.407 9.210 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.181 5.596 8.693 1.00 0.00 C ATOM 1324 C ALA A 90 -8.235 6.479 7.877 1.00 0.00 C ATOM 1325 O ALA A 90 -8.643 7.517 7.357 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.753 4.439 7.871 1.00 0.00 C ATOM 0 H ALA A 90 -10.602 7.131 8.573 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.604 5.163 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.937 3.830 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.394 3.825 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.336 4.836 7.040 1.00 0.00 H new ATOM 1332 N THR A 91 -6.990 6.035 7.789 1.00 0.00 N ATOM 1333 CA THR A 91 -5.983 6.772 7.046 1.00 0.00 C ATOM 1334 C THR A 91 -5.149 5.818 6.188 1.00 0.00 C ATOM 1335 O THR A 91 -5.077 4.624 6.472 1.00 0.00 O ATOM 1336 CB THR A 91 -5.150 7.575 8.046 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.106 8.387 8.722 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.223 8.582 7.362 1.00 0.00 C ATOM 0 H THR A 91 -6.656 5.173 8.220 1.00 0.00 H new ATOM 0 HA THR A 91 -6.441 7.472 6.347 1.00 0.00 H new ATOM 0 HB THR A 91 -4.557 6.892 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.651 8.940 9.391 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.655 9.125 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.536 8.053 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.817 9.286 6.779 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.540 6.381 5.155 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.713 5.596 4.254 1.00 0.00 C ATOM 1348 C LEU A 92 -2.324 6.230 4.161 1.00 0.00 C ATOM 1349 O LEU A 92 -2.158 7.284 3.549 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.406 5.430 2.900 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.668 4.572 1.870 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -3.026 5.444 0.789 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.648 3.656 2.550 1.00 0.00 C ATOM 0 H LEU A 92 -4.603 7.372 4.922 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.577 4.587 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.390 4.993 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.565 6.420 2.472 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.396 3.930 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.508 4.810 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.799 6.017 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.313 6.128 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.137 3.057 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.918 4.261 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.161 2.997 3.251 1.00 0.00 H new ATOM 1365 N THR A 93 -1.361 5.560 4.777 1.00 0.00 N ATOM 1366 CA THR A 93 0.009 6.044 4.770 1.00 0.00 C ATOM 1367 C THR A 93 0.876 5.181 3.851 1.00 0.00 C ATOM 1368 O THR A 93 0.946 3.965 4.020 1.00 0.00 O ATOM 1369 CB THR A 93 0.505 6.078 6.217 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.221 7.153 6.808 1.00 0.00 O ATOM 1371 CG2 THR A 93 1.968 6.513 6.325 1.00 0.00 C ATOM 0 H THR A 93 -1.502 4.686 5.284 1.00 0.00 H new ATOM 0 HA THR A 93 0.069 7.055 4.366 1.00 0.00 H new ATOM 0 HB THR A 93 0.386 5.091 6.664 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.038 7.245 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.269 6.520 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.597 5.816 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.082 7.514 5.908 1.00 0.00 H new ATOM 1379 N LEU A 94 1.514 5.845 2.898 1.00 0.00 N ATOM 1380 CA LEU A 94 2.373 5.153 1.952 1.00 0.00 C ATOM 1381 C LEU A 94 3.781 5.037 2.539 1.00 0.00 C ATOM 1382 O LEU A 94 4.226 5.917 3.274 1.00 0.00 O ATOM 1383 CB LEU A 94 2.332 5.844 0.587 1.00 0.00 C ATOM 1384 CG LEU A 94 1.344 5.265 -0.427 1.00 0.00 C ATOM 1385 CD1 LEU A 94 -0.020 5.011 0.218 1.00 0.00 C ATOM 1386 CD2 LEU A 94 1.235 6.163 -1.661 1.00 0.00 C ATOM 0 H LEU A 94 1.453 6.854 2.761 1.00 0.00 H new ATOM 0 HA LEU A 94 2.013 4.138 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.090 6.896 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.331 5.807 0.153 1.00 0.00 H new ATOM 0 HG LEU A 94 1.726 4.301 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.703 4.600 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.092 4.303 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.422 5.949 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.526 5.728 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.889 7.152 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.212 6.249 -2.136 1.00 0.00 H new ATOM 1398 N THR A 95 4.443 3.942 2.193 1.00 0.00 N ATOM 1399 CA THR A 95 5.791 3.699 2.677 1.00 0.00 C ATOM 1400 C THR A 95 6.596 2.912 1.640 1.00 0.00 C ATOM 1401 O THR A 95 6.166 1.852 1.190 1.00 0.00 O ATOM 1402 CB THR A 95 5.688 2.992 4.030 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.298 2.707 4.167 1.00 0.00 O ATOM 1404 CG2 THR A 95 5.995 3.924 5.203 1.00 0.00 C ATOM 0 H THR A 95 4.071 3.214 1.584 1.00 0.00 H new ATOM 0 HA THR A 95 6.333 4.633 2.823 1.00 0.00 H new ATOM 0 HB THR A 95 6.375 2.146 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.141 2.246 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.908 3.372 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.009 4.312 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.288 4.753 5.204 1.00 0.00 H new ATOM 1412 N LEU A 96 7.750 3.463 1.292 1.00 0.00 N ATOM 1413 CA LEU A 96 8.619 2.826 0.317 1.00 0.00 C ATOM 1414 C LEU A 96 9.819 2.208 1.036 1.00 0.00 C ATOM 1415 O LEU A 96 10.757 2.913 1.405 1.00 0.00 O ATOM 1416 CB LEU A 96 9.005 3.816 -0.784 1.00 0.00 C ATOM 1417 CG LEU A 96 8.647 3.403 -2.213 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.504 4.628 -3.118 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.661 2.399 -2.764 1.00 0.00 C ATOM 0 H LEU A 96 8.103 4.343 1.668 1.00 0.00 H new ATOM 0 HA LEU A 96 8.095 2.013 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.524 4.771 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.081 3.983 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 96 7.678 2.903 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.249 4.307 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.715 5.275 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.445 5.177 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.383 2.122 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.653 2.850 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.670 1.509 -2.135 1.00 0.00 H new ATOM 1431 N ARG A 97 9.751 0.897 1.214 1.00 0.00 N ATOM 1432 CA ARG A 97 10.820 0.175 1.883 1.00 0.00 C ATOM 1433 C ARG A 97 11.803 -0.389 0.855 1.00 0.00 C ATOM 1434 O ARG A 97 11.517 -0.402 -0.341 1.00 0.00 O ATOM 1435 CB ARG A 97 10.265 -0.971 2.731 1.00 0.00 C ATOM 1436 CG ARG A 97 9.721 -0.453 4.064 1.00 0.00 C ATOM 1437 CD ARG A 97 8.418 -1.163 4.437 1.00 0.00 C ATOM 1438 NE ARG A 97 8.707 -2.541 4.896 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.851 -3.292 5.603 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.649 -2.804 5.936 1.00 0.00 N ATOM 1441 NH2 ARG A 97 8.198 -4.531 5.976 1.00 0.00 N ATOM 0 H ARG A 97 8.972 0.315 0.906 1.00 0.00 H new ATOM 0 HA ARG A 97 11.336 0.878 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.472 -1.482 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.049 -1.705 2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.462 -0.609 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.548 0.621 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.904 -0.609 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.749 -1.190 3.577 1.00 0.00 H new ATOM 0 HE ARG A 97 9.614 -2.944 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.385 -1.861 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.998 -3.376 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.113 -4.903 5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.547 -5.103 6.514 1.00 0.00 H new ATOM 1455 N THR A 98 12.941 -0.843 1.360 1.00 0.00 N ATOM 1456 CA THR A 98 13.968 -1.408 0.500 1.00 0.00 C ATOM 1457 C THR A 98 14.209 -2.877 0.853 1.00 0.00 C ATOM 1458 O THR A 98 14.174 -3.252 2.024 1.00 0.00 O ATOM 1459 CB THR A 98 15.220 -0.539 0.627 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.224 -0.131 1.992 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.104 0.773 -0.153 1.00 0.00 C ATOM 0 H THR A 98 13.175 -0.831 2.353 1.00 0.00 H new ATOM 0 HA THR A 98 13.657 -1.404 -0.545 1.00 0.00 H new ATOM 0 HB THR A 98 16.086 -1.098 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.806 0.650 2.098 1.00 0.00 H new ATOM 0 HG21 THR A 98 16.019 1.352 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.952 0.556 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.258 1.347 0.224 1.00 0.00 H new ATOM 1469 N CYS A 99 14.450 -3.669 -0.182 1.00 0.00 N ATOM 1470 CA CYS A 99 14.698 -5.088 0.004 1.00 0.00 C ATOM 1471 C CYS A 99 16.163 -5.272 0.404 1.00 0.00 C ATOM 1472 O CYS A 99 17.064 -5.027 -0.397 1.00 0.00 O ATOM 1473 CB CYS A 99 14.343 -5.893 -1.248 1.00 0.00 C ATOM 1474 SG CYS A 99 13.996 -7.632 -0.797 1.00 0.00 S ATOM 0 H CYS A 99 14.479 -3.354 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 99 14.055 -5.471 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.473 -5.455 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.165 -5.851 -1.962 1.00 0.00 H new ATOM 0 HG CYS A 99 13.694 -8.306 -1.867 1.00 0.00 H new ATOM 1480 N ASP A 100 16.355 -5.702 1.642 1.00 0.00 N ATOM 1481 CA ASP A 100 17.696 -5.921 2.158 1.00 0.00 C ATOM 1482 C ASP A 100 17.877 -7.406 2.481 1.00 0.00 C ATOM 1483 O ASP A 100 16.899 -8.128 2.665 1.00 0.00 O ATOM 1484 CB ASP A 100 17.928 -5.126 3.445 1.00 0.00 C ATOM 1485 CG ASP A 100 17.225 -3.768 3.502 1.00 0.00 C ATOM 1486 OD1 ASP A 100 17.617 -2.893 2.700 1.00 0.00 O ATOM 1487 OD2 ASP A 100 16.313 -3.636 4.346 1.00 0.00 O ATOM 0 H ASP A 100 15.605 -5.905 2.303 1.00 0.00 H new ATOM 0 HA ASP A 100 18.407 -5.594 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.594 -5.727 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.999 -4.969 3.569 1.00 0.00 H new ATOM 1492 N ARG A 101 19.135 -7.817 2.539 1.00 0.00 N ATOM 1493 CA ARG A 101 19.457 -9.202 2.835 1.00 0.00 C ATOM 1494 C ARG A 101 18.510 -9.750 3.905 1.00 0.00 C ATOM 1495 O ARG A 101 17.926 -10.818 3.734 1.00 0.00 O ATOM 1496 CB ARG A 101 20.901 -9.340 3.323 1.00 0.00 C ATOM 1497 CG ARG A 101 21.178 -10.759 3.822 1.00 0.00 C ATOM 1498 CD ARG A 101 21.602 -10.751 5.292 1.00 0.00 C ATOM 1499 NE ARG A 101 23.079 -10.741 5.392 1.00 0.00 N ATOM 1500 CZ ARG A 101 23.753 -10.727 6.550 1.00 0.00 C ATOM 1501 NH1 ARG A 101 23.087 -10.722 7.713 1.00 0.00 N ATOM 1502 NH2 ARG A 101 25.093 -10.719 6.545 1.00 0.00 N ATOM 0 H ARG A 101 19.944 -7.215 2.386 1.00 0.00 H new ATOM 0 HA ARG A 101 19.341 -9.773 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 101 21.587 -9.095 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.087 -8.626 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.285 -11.372 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.961 -11.215 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.189 -9.876 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 101 21.201 -11.628 5.800 1.00 0.00 H new ATOM 0 HE ARG A 101 23.617 -10.745 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.067 -10.729 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.600 -10.711 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 101 25.600 -10.724 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 101 25.606 -10.708 7.426 1.00 0.00 H new ATOM 1516 N PHE A 102 18.389 -8.993 4.986 1.00 0.00 N ATOM 1517 CA PHE A 102 17.523 -9.389 6.083 1.00 0.00 C ATOM 1518 C PHE A 102 16.493 -8.299 6.390 1.00 0.00 C ATOM 1519 O PHE A 102 15.291 -8.561 6.399 1.00 0.00 O ATOM 1520 CB PHE A 102 18.417 -9.588 7.309 1.00 0.00 C ATOM 1521 CG PHE A 102 18.714 -11.054 7.631 1.00 0.00 C ATOM 1522 CD1 PHE A 102 18.910 -11.946 6.622 1.00 0.00 C ATOM 1523 CD2 PHE A 102 18.781 -11.466 8.925 1.00 0.00 C ATOM 1524 CE1 PHE A 102 19.185 -13.306 6.921 1.00 0.00 C ATOM 1525 CE2 PHE A 102 19.056 -12.827 9.224 1.00 0.00 C ATOM 1526 CZ PHE A 102 19.252 -13.718 8.215 1.00 0.00 C ATOM 0 H PHE A 102 18.876 -8.108 5.125 1.00 0.00 H new ATOM 0 HA PHE A 102 16.983 -10.299 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 102 19.359 -9.064 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 102 17.939 -9.126 8.173 1.00 0.00 H new ATOM 0 HD1 PHE A 102 18.856 -11.619 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 102 18.625 -10.758 9.726 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.341 -14.014 6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 102 19.109 -13.154 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.461 -14.753 8.442 1.00 0.00 H new ATOM 1536 N SER A 103 17.002 -7.100 6.633 1.00 0.00 N ATOM 1537 CA SER A 103 16.142 -5.970 6.939 1.00 0.00 C ATOM 1538 C SER A 103 16.963 -4.842 7.567 1.00 0.00 C ATOM 1539 O SER A 103 16.719 -4.452 8.708 1.00 0.00 O ATOM 1540 CB SER A 103 15.004 -6.382 7.876 1.00 0.00 C ATOM 1541 OG SER A 103 13.791 -6.623 7.168 1.00 0.00 O ATOM 0 H SER A 103 17.999 -6.887 6.624 1.00 0.00 H new ATOM 0 HA SER A 103 15.700 -5.615 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.291 -7.281 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.842 -5.599 8.616 1.00 0.00 H new ATOM 0 HG SER A 103 13.888 -7.427 6.617 1.00 0.00 H new ATOM 1547 N ARG A 104 17.920 -4.350 6.794 1.00 0.00 N ATOM 1548 CA ARG A 104 18.778 -3.274 7.260 1.00 0.00 C ATOM 1549 C ARG A 104 18.278 -1.928 6.731 1.00 0.00 C ATOM 1550 O ARG A 104 19.032 -1.184 6.106 1.00 0.00 O ATOM 1551 CB ARG A 104 20.224 -3.487 6.806 1.00 0.00 C ATOM 1552 CG ARG A 104 20.775 -4.813 7.334 1.00 0.00 C ATOM 1553 CD ARG A 104 20.896 -4.788 8.859 1.00 0.00 C ATOM 1554 NE ARG A 104 22.299 -5.035 9.260 1.00 0.00 N ATOM 1555 CZ ARG A 104 22.940 -6.196 9.074 1.00 0.00 C ATOM 1556 NH1 ARG A 104 22.308 -7.225 8.492 1.00 0.00 N ATOM 1557 NH2 ARG A 104 24.214 -6.329 9.469 1.00 0.00 N ATOM 0 H ARG A 104 18.120 -4.676 5.849 1.00 0.00 H new ATOM 0 HA ARG A 104 18.747 -3.274 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 104 20.272 -3.477 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.845 -2.664 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.120 -5.630 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 104 21.752 -5.007 6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 104 20.564 -3.823 9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.246 -5.546 9.296 1.00 0.00 H new ATOM 0 HE ARG A 104 22.810 -4.273 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 104 21.339 -7.124 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 104 22.796 -8.109 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.695 -5.546 9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.702 -7.213 9.327 1.00 0.00 H new ATOM 1571 N HIS A 105 17.010 -1.657 7.001 1.00 0.00 N ATOM 1572 CA HIS A 105 16.400 -0.414 6.560 1.00 0.00 C ATOM 1573 C HIS A 105 14.980 -0.312 7.120 1.00 0.00 C ATOM 1574 O HIS A 105 14.258 -1.307 7.176 1.00 0.00 O ATOM 1575 CB HIS A 105 16.445 -0.298 5.035 1.00 0.00 C ATOM 1576 CG HIS A 105 17.075 0.980 4.535 1.00 0.00 C ATOM 1577 ND1 HIS A 105 16.418 1.860 3.693 1.00 0.00 N ATOM 1578 CD2 HIS A 105 18.307 1.517 4.768 1.00 0.00 C ATOM 1579 CE1 HIS A 105 17.228 2.877 3.436 1.00 0.00 C ATOM 1580 NE2 HIS A 105 18.399 2.662 4.103 1.00 0.00 N ATOM 0 H HIS A 105 16.388 -2.277 7.520 1.00 0.00 H new ATOM 0 HA HIS A 105 16.968 0.431 6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.999 -1.146 4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.429 -0.367 4.645 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.077 1.084 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.001 3.727 2.809 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.211 3.279 4.092 1.00 0.00 H new ATOM 1588 N SER A 106 14.622 0.899 7.521 1.00 0.00 N ATOM 1589 CA SER A 106 13.301 1.144 8.076 1.00 0.00 C ATOM 1590 C SER A 106 12.323 1.505 6.956 1.00 0.00 C ATOM 1591 O SER A 106 11.484 0.691 6.573 1.00 0.00 O ATOM 1592 CB SER A 106 13.342 2.256 9.125 1.00 0.00 C ATOM 1593 OG SER A 106 12.672 1.882 10.326 1.00 0.00 O ATOM 0 H SER A 106 15.224 1.721 7.473 1.00 0.00 H new ATOM 0 HA SER A 106 12.961 0.232 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.379 2.504 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.881 3.156 8.718 1.00 0.00 H new ATOM 0 HG SER A 106 12.722 2.618 10.971 1.00 0.00 H new ATOM 1599 N VAL A 107 12.463 2.727 6.463 1.00 0.00 N ATOM 1600 CA VAL A 107 11.602 3.206 5.395 1.00 0.00 C ATOM 1601 C VAL A 107 12.386 4.178 4.511 1.00 0.00 C ATOM 1602 O VAL A 107 13.148 5.003 5.014 1.00 0.00 O ATOM 1603 CB VAL A 107 10.332 3.824 5.984 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.719 4.841 5.019 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.318 2.742 6.358 1.00 0.00 C ATOM 0 H VAL A 107 13.160 3.400 6.783 1.00 0.00 H new ATOM 0 HA VAL A 107 11.281 2.378 4.763 1.00 0.00 H new ATOM 0 HB VAL A 107 10.609 4.353 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.818 5.265 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.438 5.637 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.464 4.346 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.425 3.208 6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.049 2.172 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.756 2.073 7.098 1.00 0.00 H new ATOM 1615 N ALA A 108 12.172 4.050 3.210 1.00 0.00 N ATOM 1616 CA ALA A 108 12.849 4.907 2.252 1.00 0.00 C ATOM 1617 C ALA A 108 12.098 6.236 2.144 1.00 0.00 C ATOM 1618 O ALA A 108 12.697 7.268 1.846 1.00 0.00 O ATOM 1619 CB ALA A 108 12.954 4.185 0.907 1.00 0.00 C ATOM 0 H ALA A 108 11.539 3.365 2.797 1.00 0.00 H new ATOM 0 HA ALA A 108 13.864 5.128 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.462 4.828 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.521 3.262 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.954 3.950 0.541 1.00 0.00 H new ATOM 1625 N GLY A 109 10.798 6.166 2.391 1.00 0.00 N ATOM 1626 CA GLY A 109 9.960 7.351 2.325 1.00 0.00 C ATOM 1627 C GLY A 109 8.508 7.015 2.672 1.00 0.00 C ATOM 1628 O GLY A 109 7.921 6.105 2.089 1.00 0.00 O ATOM 0 H GLY A 109 10.305 5.308 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.337 8.106 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.009 7.780 1.324 1.00 0.00 H new ATOM 1632 N GLU A 110 7.971 7.769 3.621 1.00 0.00 N ATOM 1633 CA GLU A 110 6.599 7.563 4.053 1.00 0.00 C ATOM 1634 C GLU A 110 5.719 8.729 3.599 1.00 0.00 C ATOM 1635 O GLU A 110 6.127 9.886 3.676 1.00 0.00 O ATOM 1636 CB GLU A 110 6.524 7.378 5.570 1.00 0.00 C ATOM 1637 CG GLU A 110 5.151 7.787 6.105 1.00 0.00 C ATOM 1638 CD GLU A 110 5.080 7.613 7.623 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.728 8.425 8.319 1.00 0.00 O ATOM 1640 OE2 GLU A 110 4.378 6.672 8.054 1.00 0.00 O ATOM 0 H GLU A 110 8.461 8.523 4.102 1.00 0.00 H new ATOM 0 HA GLU A 110 6.226 6.650 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.721 6.336 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.298 7.975 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.950 8.826 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.377 7.184 5.630 1.00 0.00 H new ATOM 1647 N LEU A 111 4.527 8.383 3.135 1.00 0.00 N ATOM 1648 CA LEU A 111 3.585 9.386 2.669 1.00 0.00 C ATOM 1649 C LEU A 111 2.299 9.295 3.493 1.00 0.00 C ATOM 1650 O LEU A 111 1.953 8.226 3.994 1.00 0.00 O ATOM 1651 CB LEU A 111 3.360 9.250 1.161 1.00 0.00 C ATOM 1652 CG LEU A 111 3.693 10.484 0.320 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.313 10.083 -1.020 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.461 11.373 0.138 1.00 0.00 C ATOM 0 H LEU A 111 4.192 7.422 3.072 1.00 0.00 H new ATOM 0 HA LEU A 111 3.990 10.387 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.959 8.415 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.315 8.990 0.991 1.00 0.00 H new ATOM 0 HG LEU A 111 4.438 11.072 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.540 10.979 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.231 9.523 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.610 9.462 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.726 12.243 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.676 10.809 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.102 11.702 1.113 1.00 0.00 H new ATOM 1666 N ARG A 112 1.626 10.431 3.608 1.00 0.00 N ATOM 1667 CA ARG A 112 0.386 10.492 4.363 1.00 0.00 C ATOM 1668 C ARG A 112 -0.777 10.868 3.443 1.00 0.00 C ATOM 1669 O ARG A 112 -0.610 11.661 2.517 1.00 0.00 O ATOM 1670 CB ARG A 112 0.481 11.515 5.496 1.00 0.00 C ATOM 1671 CG ARG A 112 0.310 10.841 6.859 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.140 10.405 7.076 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.725 11.142 8.219 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.325 10.998 9.489 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -0.338 10.143 9.788 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -1.913 11.709 10.462 1.00 0.00 N ATOM 0 H ARG A 112 1.916 11.316 3.191 1.00 0.00 H new ATOM 0 HA ARG A 112 0.211 9.506 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.446 12.020 5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.285 12.280 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.968 9.975 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.609 11.530 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.724 10.593 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.181 9.332 7.265 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.480 11.801 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.109 9.601 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.034 10.034 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.665 12.360 10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.608 11.599 11.429 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.930 10.280 3.729 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.120 10.544 2.938 1.00 0.00 C ATOM 1692 C LEU A 113 -4.361 10.342 3.811 1.00 0.00 C ATOM 1693 O LEU A 113 -4.257 9.885 4.948 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.118 9.694 1.666 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.873 9.810 0.784 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.883 8.751 -0.320 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.730 11.225 0.221 1.00 0.00 C ATOM 0 H LEU A 113 -2.065 9.622 4.497 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.131 11.580 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.241 8.649 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.988 9.966 1.069 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.996 9.621 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.987 8.855 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.902 7.758 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.767 8.884 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.837 11.280 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.607 11.468 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.644 11.936 1.042 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.507 10.691 3.244 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.766 10.554 3.956 1.00 0.00 C ATOM 1711 C GLY A 114 -7.816 9.862 3.084 1.00 0.00 C ATOM 1712 O GLY A 114 -7.859 10.073 1.873 1.00 0.00 O ATOM 0 H GLY A 114 -5.590 11.068 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.611 9.980 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.128 11.538 4.255 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.636 9.050 3.735 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.683 8.325 3.034 1.00 0.00 C ATOM 1718 C LEU A 115 -11.034 8.979 3.328 1.00 0.00 C ATOM 1719 O LEU A 115 -12.082 8.375 3.104 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.631 6.837 3.385 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.247 6.185 3.342 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -8.302 4.746 3.858 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.645 6.268 1.938 1.00 0.00 C ATOM 0 H LEU A 115 -8.597 8.878 4.740 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.529 8.380 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.042 6.706 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.285 6.299 2.699 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.587 6.741 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.305 4.306 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.658 4.742 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.982 4.163 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.662 5.797 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.296 5.752 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.548 7.313 1.645 1.00 0.00 H new ATOM 1735 N ASP A 116 -10.966 10.206 3.824 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.172 10.948 4.151 1.00 0.00 C ATOM 1737 C ASP A 116 -12.666 11.684 2.904 1.00 0.00 C ATOM 1738 O ASP A 116 -13.829 12.077 2.831 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.899 11.991 5.237 1.00 0.00 C ATOM 1740 CG ASP A 116 -11.188 13.256 4.755 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -11.909 14.194 4.351 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -9.939 13.258 4.801 1.00 0.00 O ATOM 0 H ASP A 116 -10.095 10.705 4.007 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.918 10.239 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.848 12.277 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.296 11.530 6.019 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.758 11.847 1.953 1.00 0.00 N ATOM 1748 CA GLY A 117 -12.087 12.528 0.712 1.00 0.00 C ATOM 1749 C GLY A 117 -11.787 14.025 0.812 1.00 0.00 C ATOM 1750 O GLY A 117 -12.528 14.847 0.276 1.00 0.00 O ATOM 0 H GLY A 117 -10.794 11.519 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.516 12.093 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -13.142 12.379 0.480 1.00 0.00 H new ATOM 1754 N THR A 118 -10.698 14.333 1.502 1.00 0.00 N ATOM 1755 CA THR A 118 -10.291 15.716 1.679 1.00 0.00 C ATOM 1756 C THR A 118 -8.881 15.932 1.125 1.00 0.00 C ATOM 1757 O THR A 118 -8.717 16.415 0.006 1.00 0.00 O ATOM 1758 CB THR A 118 -10.419 16.060 3.165 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.803 16.357 3.334 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.711 17.367 3.526 1.00 0.00 C ATOM 0 H THR A 118 -10.085 13.648 1.945 1.00 0.00 H new ATOM 0 HA THR A 118 -10.935 16.393 1.117 1.00 0.00 H new ATOM 0 HB THR A 118 -10.007 15.247 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 118 -12.207 15.700 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.832 17.564 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.650 17.283 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.145 18.186 2.953 1.00 0.00 H new ATOM 1768 N SER A 119 -7.899 15.563 1.935 1.00 0.00 N ATOM 1769 CA SER A 119 -6.509 15.710 1.539 1.00 0.00 C ATOM 1770 C SER A 119 -6.341 15.333 0.066 1.00 0.00 C ATOM 1771 O SER A 119 -5.926 16.159 -0.746 1.00 0.00 O ATOM 1772 CB SER A 119 -5.593 14.851 2.414 1.00 0.00 C ATOM 1773 OG SER A 119 -5.358 15.448 3.687 1.00 0.00 O ATOM 0 H SER A 119 -8.039 15.163 2.863 1.00 0.00 H new ATOM 0 HA SER A 119 -6.224 16.753 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 119 -6.041 13.867 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.642 14.699 1.904 1.00 0.00 H new ATOM 0 HG SER A 119 -4.771 14.869 4.216 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.671 14.086 -0.234 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.562 13.589 -1.595 1.00 0.00 C ATOM 1781 C VAL A 120 -7.901 12.985 -2.022 1.00 0.00 C ATOM 1782 O VAL A 120 -8.513 12.228 -1.269 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.399 12.600 -1.700 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.091 13.325 -2.025 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.265 11.774 -0.419 1.00 0.00 C ATOM 0 H VAL A 120 -7.014 13.404 0.443 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.340 14.405 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.614 11.914 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.280 12.600 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.192 13.848 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.868 14.044 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.431 11.079 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.083 12.439 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.185 11.215 -0.249 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.329 13.351 -3.260 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.584 12.853 -3.796 1.00 0.00 C ATOM 1797 C PRO A 121 -9.452 11.393 -4.235 1.00 0.00 C ATOM 1798 O PRO A 121 -8.350 10.848 -4.267 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.921 13.790 -4.944 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.621 14.491 -5.306 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.630 14.245 -4.179 1.00 0.00 C ATOM 0 HA PRO A 121 -10.384 12.847 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.317 13.237 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.684 14.510 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.230 14.108 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.788 15.560 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.712 13.791 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.349 15.177 -3.688 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.592 10.802 -4.562 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.618 9.416 -4.998 1.00 0.00 C ATOM 1811 C LEU A 122 -10.617 9.366 -6.527 1.00 0.00 C ATOM 1812 O LEU A 122 -11.032 10.321 -7.183 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.795 8.676 -4.360 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.666 8.373 -2.865 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -13.000 7.898 -2.285 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.539 7.372 -2.604 1.00 0.00 C ATOM 0 H LEU A 122 -11.504 11.258 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.722 8.894 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.697 9.268 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.937 7.734 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.402 9.297 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.881 7.690 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.753 8.675 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.318 6.991 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.469 7.174 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.749 6.442 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.595 7.786 -2.959 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.145 8.244 -7.051 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.085 8.058 -8.490 1.00 0.00 C ATOM 1830 C GLY A 123 -9.285 9.180 -9.155 1.00 0.00 C ATOM 1831 O GLY A 123 -9.409 9.407 -10.358 1.00 0.00 O ATOM 0 H GLY A 123 -9.801 7.455 -6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.626 7.096 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.095 8.034 -8.900 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.482 9.853 -8.343 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.663 10.946 -8.838 1.00 0.00 C ATOM 1837 C ALA A 124 -6.208 10.714 -8.425 1.00 0.00 C ATOM 1838 O ALA A 124 -5.839 10.954 -7.276 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.213 12.274 -8.315 1.00 0.00 C ATOM 0 H ALA A 124 -8.382 9.662 -7.346 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.694 10.987 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.598 13.094 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.239 12.404 -8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.194 12.272 -7.225 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.421 10.249 -9.384 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.014 9.982 -9.134 1.00 0.00 C ATOM 1847 C ALA A 125 -3.278 11.307 -8.924 1.00 0.00 C ATOM 1848 O ALA A 125 -3.388 12.219 -9.742 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.435 9.170 -10.294 1.00 0.00 C ATOM 0 H ALA A 125 -5.730 10.050 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.890 9.389 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.380 8.970 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -3.974 8.226 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.538 9.735 -11.221 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.543 11.370 -7.823 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.788 12.568 -7.495 1.00 0.00 C ATOM 1857 C GLN A 126 -0.306 12.230 -7.319 1.00 0.00 C ATOM 1858 O GLN A 126 0.045 11.082 -7.052 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.349 13.244 -6.243 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.879 13.235 -6.253 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.436 14.656 -6.151 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.756 15.590 -5.760 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.709 14.766 -6.522 1.00 0.00 N ATOM 0 H GLN A 126 -2.454 10.611 -7.147 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.884 13.272 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.985 12.730 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.988 14.271 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.238 12.765 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.248 12.635 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.221 13.943 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.173 15.674 -6.489 1.00 0.00 H new ATOM 1872 N TRP A 127 0.524 13.251 -7.476 1.00 0.00 N ATOM 1873 CA TRP A 127 1.959 13.077 -7.337 1.00 0.00 C ATOM 1874 C TRP A 127 2.384 13.692 -6.002 1.00 0.00 C ATOM 1875 O TRP A 127 2.612 14.897 -5.914 1.00 0.00 O ATOM 1876 CB TRP A 127 2.702 13.675 -8.533 1.00 0.00 C ATOM 1877 CG TRP A 127 2.850 12.716 -9.717 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.097 12.649 -10.823 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.848 11.685 -9.868 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.534 11.653 -11.672 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.633 11.048 -11.073 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.898 11.302 -9.014 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.427 9.991 -11.534 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.682 10.244 -9.489 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.479 9.593 -10.700 1.00 0.00 C ATOM 0 H TRP A 127 0.229 14.202 -7.698 1.00 0.00 H new ATOM 0 HA TRP A 127 2.220 12.019 -7.331 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.174 14.568 -8.866 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.693 13.993 -8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.254 13.293 -11.025 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.126 11.406 -12.573 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.085 11.786 -8.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.238 9.509 -12.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.502 9.910 -8.871 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.130 8.784 -10.996 1.00 0.00 H new ATOM 1896 N GLY A 128 2.476 12.835 -4.995 1.00 0.00 N ATOM 1897 CA GLY A 128 2.869 13.279 -3.669 1.00 0.00 C ATOM 1898 C GLY A 128 4.304 12.854 -3.351 1.00 0.00 C ATOM 1899 O GLY A 128 4.732 11.766 -3.733 1.00 0.00 O ATOM 0 H GLY A 128 2.285 11.836 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.785 14.364 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.189 12.862 -2.926 1.00 0.00 H new ATOM 1903 N GLU A 129 5.008 13.735 -2.655 1.00 0.00 N ATOM 1904 CA GLU A 129 6.386 13.465 -2.282 1.00 0.00 C ATOM 1905 C GLU A 129 6.435 12.624 -1.005 1.00 0.00 C ATOM 1906 O GLU A 129 5.516 12.675 -0.188 1.00 0.00 O ATOM 1907 CB GLU A 129 7.173 14.766 -2.112 1.00 0.00 C ATOM 1908 CG GLU A 129 8.332 14.839 -3.108 1.00 0.00 C ATOM 1909 CD GLU A 129 8.439 16.236 -3.723 1.00 0.00 C ATOM 1910 OE1 GLU A 129 7.540 16.574 -4.524 1.00 0.00 O ATOM 1911 OE2 GLU A 129 9.416 16.935 -3.379 1.00 0.00 O ATOM 0 H GLU A 129 4.650 14.636 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 129 6.855 12.898 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.509 15.618 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.558 14.832 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.265 14.587 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.186 14.101 -3.897 1.00 0.00 H new ATOM 1918 N LEU A 130 7.516 11.869 -0.872 1.00 0.00 N ATOM 1919 CA LEU A 130 7.696 11.018 0.291 1.00 0.00 C ATOM 1920 C LEU A 130 8.181 11.867 1.468 1.00 0.00 C ATOM 1921 O LEU A 130 9.079 12.694 1.313 1.00 0.00 O ATOM 1922 CB LEU A 130 8.619 9.844 -0.041 1.00 0.00 C ATOM 1923 CG LEU A 130 8.036 8.775 -0.969 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.138 7.868 -1.519 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.936 7.979 -0.265 1.00 0.00 C ATOM 0 H LEU A 130 8.276 11.829 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 130 6.746 10.573 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.526 10.239 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.915 9.365 0.892 1.00 0.00 H new ATOM 0 HG LEU A 130 7.576 9.275 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.698 7.117 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.855 8.466 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.648 7.373 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.539 7.226 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.349 7.489 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.135 8.654 0.037 1.00 0.00 H new ATOM 1937 N LYS A 131 7.567 11.634 2.618 1.00 0.00 N ATOM 1938 CA LYS A 131 7.925 12.366 3.821 1.00 0.00 C ATOM 1939 C LYS A 131 8.945 11.555 4.623 1.00 0.00 C ATOM 1940 O LYS A 131 8.701 11.214 5.779 1.00 0.00 O ATOM 1941 CB LYS A 131 6.671 12.736 4.616 1.00 0.00 C ATOM 1942 CG LYS A 131 5.801 13.726 3.839 1.00 0.00 C ATOM 1943 CD LYS A 131 6.448 15.112 3.799 1.00 0.00 C ATOM 1944 CE LYS A 131 6.768 15.527 2.361 1.00 0.00 C ATOM 1945 NZ LYS A 131 6.571 16.983 2.186 1.00 0.00 N ATOM 0 H LYS A 131 6.823 10.948 2.743 1.00 0.00 H new ATOM 0 HA LYS A 131 8.402 13.312 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.097 11.836 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.958 13.172 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.649 13.362 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.817 13.793 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.778 15.843 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.363 15.108 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.797 15.262 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.128 14.981 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.792 17.248 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.582 17.227 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.200 17.499 2.834 1.00 0.00 H new ATOM 1959 N THR A 132 10.066 11.270 3.977 1.00 0.00 N ATOM 1960 CA THR A 132 11.123 10.505 4.615 1.00 0.00 C ATOM 1961 C THR A 132 11.245 10.892 6.091 1.00 0.00 C ATOM 1962 O THR A 132 11.319 10.024 6.959 1.00 0.00 O ATOM 1963 CB THR A 132 12.412 10.727 3.821 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.578 12.142 3.816 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.259 10.364 2.343 1.00 0.00 C ATOM 0 H THR A 132 10.265 11.555 3.018 1.00 0.00 H new ATOM 0 HA THR A 132 10.899 9.438 4.608 1.00 0.00 H new ATOM 0 HB THR A 132 13.215 10.134 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 132 13.392 12.374 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.202 10.540 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.986 9.312 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.479 10.980 1.896 1.00 0.00 H new ATOM 1973 N SER A 133 11.261 12.195 6.329 1.00 0.00 N ATOM 1974 CA SER A 133 11.371 12.707 7.684 1.00 0.00 C ATOM 1975 C SER A 133 10.790 14.120 7.759 1.00 0.00 C ATOM 1976 O SER A 133 11.530 15.102 7.729 1.00 0.00 O ATOM 1977 CB SER A 133 12.827 12.706 8.156 1.00 0.00 C ATOM 1978 OG SER A 133 13.699 13.301 7.198 1.00 0.00 O ATOM 0 H SER A 133 11.200 12.912 5.606 1.00 0.00 H new ATOM 0 HA SER A 133 10.802 12.052 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 133 12.903 13.246 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.145 11.681 8.349 1.00 0.00 H new ATOM 0 HG SER A 133 13.371 14.196 6.968 1.00 0.00 H new ATOM 1984 N GLY A 134 9.469 14.178 7.855 1.00 0.00 N ATOM 1985 CA GLY A 134 8.780 15.454 7.934 1.00 0.00 C ATOM 1986 C GLY A 134 8.275 15.717 9.354 1.00 0.00 C ATOM 1987 O GLY A 134 8.904 15.305 10.327 1.00 0.00 O ATOM 0 H GLY A 134 8.858 13.361 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.454 16.255 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.941 15.462 7.238 1.00 0.00 H new ATOM 1991 N PRO A 135 7.113 16.420 9.430 1.00 0.00 N ATOM 1992 CA PRO A 135 6.516 16.743 10.715 1.00 0.00 C ATOM 1993 C PRO A 135 5.852 15.513 11.335 1.00 0.00 C ATOM 1994 O PRO A 135 4.664 15.537 11.651 1.00 0.00 O ATOM 1995 CB PRO A 135 5.533 17.864 10.421 1.00 0.00 C ATOM 1996 CG PRO A 135 5.275 17.811 8.924 1.00 0.00 C ATOM 1997 CD PRO A 135 6.340 16.925 8.299 1.00 0.00 C ATOM 0 HA PRO A 135 7.252 17.060 11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 135 4.608 17.729 10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 135 5.944 18.830 10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 135 4.281 17.413 8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 135 5.311 18.812 8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 135 5.893 16.110 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 135 6.969 17.488 7.609 1.00 0.00 H new ATOM 2005 N SER A 136 6.649 14.465 11.492 1.00 0.00 N ATOM 2006 CA SER A 136 6.153 13.228 12.069 1.00 0.00 C ATOM 2007 C SER A 136 7.243 12.155 12.023 1.00 0.00 C ATOM 2008 O SER A 136 8.282 12.348 11.393 1.00 0.00 O ATOM 2009 CB SER A 136 4.900 12.742 11.338 1.00 0.00 C ATOM 2010 OG SER A 136 3.721 12.931 12.117 1.00 0.00 O ATOM 0 H SER A 136 7.634 14.448 11.229 1.00 0.00 H new ATOM 0 HA SER A 136 5.884 13.420 13.108 1.00 0.00 H new ATOM 0 HB2 SER A 136 4.800 13.277 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 136 5.009 11.685 11.095 1.00 0.00 H new ATOM 0 HG SER A 136 3.569 13.890 12.253 1.00 0.00 H new ATOM 2016 N SER A 137 6.969 11.049 12.698 1.00 0.00 N ATOM 2017 CA SER A 137 7.914 9.945 12.742 1.00 0.00 C ATOM 2018 C SER A 137 7.301 8.706 12.086 1.00 0.00 C ATOM 2019 O SER A 137 6.083 8.538 12.085 1.00 0.00 O ATOM 2020 CB SER A 137 8.330 9.633 14.180 1.00 0.00 C ATOM 2021 OG SER A 137 9.531 8.868 14.235 1.00 0.00 O ATOM 0 H SER A 137 6.106 10.893 13.219 1.00 0.00 H new ATOM 0 HA SER A 137 8.807 10.237 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 137 8.469 10.565 14.727 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.529 9.087 14.679 1.00 0.00 H new ATOM 0 HG SER A 137 9.764 8.691 15.170 1.00 0.00 H new ATOM 2027 N GLY A 138 8.175 7.870 11.544 1.00 0.00 N ATOM 2028 CA GLY A 138 7.735 6.651 10.887 1.00 0.00 C ATOM 2029 C GLY A 138 8.111 6.662 9.403 1.00 0.00 C ATOM 2030 O GLY A 138 8.592 5.662 8.874 1.00 0.00 O ATOM 0 H GLY A 138 9.185 8.013 11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.187 5.787 11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 138 6.655 6.547 10.992 1.00 0.00 H new TER 2034 GLY A 138