USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 770 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 62 TYR OH : rot -118:sc= 1.3 USER MOD Set 1.2: A 100 MET CE :methyl 139:sc= -0.204 (180deg=-0.856) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= -0.0408 USER MOD Set 2.2: A 81 GLN : amide:sc= -1.52 K(o=-1.6,f=-0.16) USER MOD Single : A 23 GLN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.818! C(o=-0.82!,f=-8.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -145:sc= 0.00389 USER MOD Single : A 39 SER OG : rot 84:sc= -0.984 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0573) USER MOD Single : A 50 SER OG : rot -115:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= 0.787 K(o=0.79,f=-11!) USER MOD Single : A 54 MET CE :methyl -160:sc= -0.131 (180deg=-0.705) USER MOD Single : A 56 THR OG1 : rot 30:sc= 0.327 USER MOD Single : A 57 SER OG : rot -140:sc= -0.0249 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00933 USER MOD Single : A 61 THR OG1 : rot 22:sc= 1.21 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 15:sc= 1.19 USER MOD Single : A 70 SER OG : rot 97:sc= 1.23 USER MOD Single : A 76 ASN : amide:sc=-0.00238 K(o=-0.0024,f=-3.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -21:sc= 0.832 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc=-0.00847 X(o=-0.0085,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 168:sc= 1.09 USER MOD Single : A 91 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.43) USER MOD Single : A 93 ASN : amide:sc= -0.0631 X(o=-0.063,f=-0.53) USER MOD Single : A 94 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.058) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -167:sc= 0.459 USER MOD Single : A 105 SER OG : rot 180:sc= -0.236 USER MOD Single : A 106 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.12) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.133 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.155 -13.040 0.837 1.00 0.00 N ATOM 2 CA GLN A 23 0.710 -12.979 1.068 1.00 0.00 C ATOM 3 C GLN A 23 0.245 -11.533 1.278 1.00 0.00 C ATOM 4 O GLN A 23 -0.660 -11.073 0.579 1.00 0.00 O ATOM 5 CB GLN A 23 0.274 -13.845 2.258 1.00 0.00 C ATOM 6 CG GLN A 23 0.355 -15.340 2.004 1.00 0.00 C ATOM 7 CD GLN A 23 -0.463 -16.134 3.004 1.00 0.00 C ATOM 8 OE1 GLN A 23 -1.647 -16.400 2.784 1.00 0.00 O ATOM 9 NE2 GLN A 23 0.155 -16.517 4.109 1.00 0.00 N ATOM 0 HA GLN A 23 0.236 -13.379 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.897 -13.600 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.752 -13.588 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.002 -15.555 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.396 -15.660 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.136 -16.277 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.349 -17.052 4.816 1.00 0.00 H new ATOM 18 N PRO A 24 0.842 -10.787 2.240 1.00 0.00 N ATOM 19 CA PRO A 24 0.482 -9.385 2.469 1.00 0.00 C ATOM 20 C PRO A 24 0.833 -8.517 1.272 1.00 0.00 C ATOM 21 O PRO A 24 1.927 -8.633 0.714 1.00 0.00 O ATOM 22 CB PRO A 24 1.313 -8.976 3.695 1.00 0.00 C ATOM 23 CG PRO A 24 1.763 -10.257 4.308 1.00 0.00 C ATOM 24 CD PRO A 24 1.893 -11.229 3.173 1.00 0.00 C ATOM 0 HA PRO A 24 -0.590 -9.259 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.163 -8.358 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.718 -8.392 4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.714 -10.130 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.043 -10.611 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.882 -11.187 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.736 -12.257 3.501 1.00 0.00 H new ATOM 32 N ASP A 25 -0.094 -7.652 0.879 1.00 0.00 N ATOM 33 CA ASP A 25 0.076 -6.853 -0.321 1.00 0.00 C ATOM 34 C ASP A 25 0.729 -5.521 -0.006 1.00 0.00 C ATOM 35 O ASP A 25 1.767 -5.178 -0.574 1.00 0.00 O ATOM 36 CB ASP A 25 -1.272 -6.648 -1.018 1.00 0.00 C ATOM 37 CG ASP A 25 -2.449 -6.836 -0.079 1.00 0.00 C ATOM 38 OD1 ASP A 25 -2.541 -6.094 0.919 1.00 0.00 O ATOM 39 OD2 ASP A 25 -3.271 -7.743 -0.328 1.00 0.00 O ATOM 0 H ASP A 25 -0.970 -7.488 1.376 1.00 0.00 H new ATOM 0 HA ASP A 25 0.738 -7.393 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.308 -5.645 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.358 -7.350 -1.848 1.00 0.00 H new ATOM 44 N GLY A 26 0.131 -4.790 0.912 1.00 0.00 N ATOM 45 CA GLY A 26 0.640 -3.487 1.271 1.00 0.00 C ATOM 46 C GLY A 26 -0.036 -2.391 0.479 1.00 0.00 C ATOM 47 O GLY A 26 -0.603 -2.636 -0.589 1.00 0.00 O ATOM 0 H GLY A 26 -0.705 -5.077 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.486 -3.316 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.715 -3.454 1.095 1.00 0.00 H new ATOM 51 N VAL A 27 -0.002 -1.183 1.009 1.00 0.00 N ATOM 52 CA VAL A 27 -0.632 -0.058 0.349 1.00 0.00 C ATOM 53 C VAL A 27 0.412 0.850 -0.290 1.00 0.00 C ATOM 54 O VAL A 27 1.287 1.409 0.383 1.00 0.00 O ATOM 55 CB VAL A 27 -1.531 0.748 1.311 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.838 0.010 1.551 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.820 1.002 2.632 1.00 0.00 C ATOM 0 H VAL A 27 0.454 -0.957 1.893 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.271 -0.464 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.748 1.711 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.463 0.589 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.360 -0.123 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.630 -0.965 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.473 1.571 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.571 0.050 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.094 1.567 2.450 1.00 0.00 H new ATOM 67 N GLN A 28 0.318 0.982 -1.601 1.00 0.00 N ATOM 68 CA GLN A 28 1.276 1.763 -2.364 1.00 0.00 C ATOM 69 C GLN A 28 0.683 3.109 -2.763 1.00 0.00 C ATOM 70 O GLN A 28 -0.471 3.186 -3.180 1.00 0.00 O ATOM 71 CB GLN A 28 1.707 0.969 -3.601 1.00 0.00 C ATOM 72 CG GLN A 28 2.356 1.800 -4.695 1.00 0.00 C ATOM 73 CD GLN A 28 3.759 2.243 -4.348 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.500 1.543 -3.661 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.129 3.413 -4.823 1.00 0.00 N ATOM 0 H GLN A 28 -0.418 0.555 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 28 2.151 1.960 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.405 0.191 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.833 0.466 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.382 1.219 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.741 2.679 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.482 3.961 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.063 3.772 -4.625 1.00 0.00 H new ATOM 84 N ILE A 29 1.469 4.165 -2.613 1.00 0.00 N ATOM 85 CA ILE A 29 1.055 5.493 -3.047 1.00 0.00 C ATOM 86 C ILE A 29 0.993 5.552 -4.565 1.00 0.00 C ATOM 87 O ILE A 29 2.016 5.452 -5.243 1.00 0.00 O ATOM 88 CB ILE A 29 2.016 6.600 -2.555 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.053 6.654 -1.025 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.613 7.955 -3.124 1.00 0.00 C ATOM 91 CD1 ILE A 29 0.732 7.041 -0.397 1.00 0.00 C ATOM 0 H ILE A 29 2.398 4.129 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 29 0.072 5.671 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 29 3.017 6.358 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.355 5.679 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.816 7.368 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.302 8.720 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.647 7.917 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.601 8.199 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.836 7.058 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.438 8.030 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.031 6.314 -0.677 1.00 0.00 H new ATOM 103 N ASP A 30 -0.208 5.705 -5.083 1.00 0.00 N ATOM 104 CA ASP A 30 -0.407 5.847 -6.516 1.00 0.00 C ATOM 105 C ASP A 30 -0.013 7.243 -6.948 1.00 0.00 C ATOM 106 O ASP A 30 0.934 7.433 -7.711 1.00 0.00 O ATOM 107 CB ASP A 30 -1.867 5.602 -6.888 1.00 0.00 C ATOM 108 CG ASP A 30 -2.115 5.741 -8.379 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.865 4.769 -9.122 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.554 6.826 -8.812 1.00 0.00 O ATOM 0 H ASP A 30 -1.066 5.735 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 30 0.214 5.109 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.159 4.602 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.500 6.308 -6.350 1.00 0.00 H new ATOM 115 N SER A 31 -0.740 8.222 -6.434 1.00 0.00 N ATOM 116 CA SER A 31 -0.481 9.605 -6.767 1.00 0.00 C ATOM 117 C SER A 31 -0.872 10.523 -5.625 1.00 0.00 C ATOM 118 O SER A 31 -1.768 10.221 -4.840 1.00 0.00 O ATOM 119 CB SER A 31 -1.241 9.989 -8.038 1.00 0.00 C ATOM 120 OG SER A 31 -1.036 11.348 -8.381 1.00 0.00 O ATOM 0 H SER A 31 -1.514 8.080 -5.785 1.00 0.00 H new ATOM 0 HA SER A 31 0.589 9.720 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.917 9.353 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.306 9.807 -7.894 1.00 0.00 H new ATOM 0 HG SER A 31 -1.535 11.558 -9.198 1.00 0.00 H new ATOM 126 N VAL A 32 -0.169 11.630 -5.538 1.00 0.00 N ATOM 127 CA VAL A 32 -0.471 12.679 -4.585 1.00 0.00 C ATOM 128 C VAL A 32 -1.315 13.750 -5.271 1.00 0.00 C ATOM 129 O VAL A 32 -0.838 14.432 -6.178 1.00 0.00 O ATOM 130 CB VAL A 32 0.821 13.319 -4.031 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.498 14.421 -3.034 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.712 12.267 -3.394 1.00 0.00 C ATOM 0 H VAL A 32 0.636 11.831 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.019 12.242 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 32 1.360 13.765 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.425 14.855 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.092 15.194 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.070 14.004 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.616 12.740 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.178 11.786 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.982 11.519 -4.139 1.00 0.00 H new ATOM 142 N VAL A 33 -2.566 13.884 -4.859 1.00 0.00 N ATOM 143 CA VAL A 33 -3.471 14.816 -5.501 1.00 0.00 C ATOM 144 C VAL A 33 -3.292 16.230 -4.951 1.00 0.00 C ATOM 145 O VAL A 33 -3.306 16.447 -3.738 1.00 0.00 O ATOM 146 CB VAL A 33 -4.944 14.373 -5.359 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.199 13.102 -6.154 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.327 14.171 -3.900 1.00 0.00 C ATOM 0 H VAL A 33 -2.974 13.360 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.220 14.821 -6.562 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.569 15.170 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.242 12.806 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.985 13.283 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.554 12.306 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.370 13.860 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.692 13.402 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.194 15.106 -3.356 1.00 0.00 H new ATOM 158 N PRO A 34 -3.081 17.205 -5.849 1.00 0.00 N ATOM 159 CA PRO A 34 -2.928 18.613 -5.476 1.00 0.00 C ATOM 160 C PRO A 34 -4.214 19.195 -4.894 1.00 0.00 C ATOM 161 O PRO A 34 -5.320 18.812 -5.293 1.00 0.00 O ATOM 162 CB PRO A 34 -2.573 19.313 -6.797 1.00 0.00 C ATOM 163 CG PRO A 34 -2.175 18.220 -7.728 1.00 0.00 C ATOM 164 CD PRO A 34 -2.957 17.013 -7.301 1.00 0.00 C ATOM 0 HA PRO A 34 -2.172 18.745 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.424 19.871 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.761 20.026 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.399 18.486 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.103 18.031 -7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.931 16.969 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.437 16.087 -7.544 1.00 0.00 H new ATOM 172 N GLY A 35 -4.059 20.112 -3.950 1.00 0.00 N ATOM 173 CA GLY A 35 -5.203 20.714 -3.293 1.00 0.00 C ATOM 174 C GLY A 35 -5.259 20.344 -1.828 1.00 0.00 C ATOM 175 O GLY A 35 -5.816 21.073 -1.006 1.00 0.00 O ATOM 0 H GLY A 35 -3.154 20.453 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.153 21.798 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.119 20.390 -3.786 1.00 0.00 H new ATOM 179 N SER A 36 -4.673 19.206 -1.508 1.00 0.00 N ATOM 180 CA SER A 36 -4.620 18.726 -0.143 1.00 0.00 C ATOM 181 C SER A 36 -3.239 18.992 0.461 1.00 0.00 C ATOM 182 O SER A 36 -2.263 19.171 -0.271 1.00 0.00 O ATOM 183 CB SER A 36 -4.943 17.238 -0.114 1.00 0.00 C ATOM 184 OG SER A 36 -6.227 16.977 -0.657 1.00 0.00 O ATOM 0 H SER A 36 -4.222 18.591 -2.185 1.00 0.00 H new ATOM 0 HA SER A 36 -5.359 19.259 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.189 16.689 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.900 16.875 0.913 1.00 0.00 H new ATOM 0 HG SER A 36 -6.642 16.234 -0.172 1.00 0.00 H new ATOM 190 N PRO A 37 -3.134 19.013 1.804 1.00 0.00 N ATOM 191 CA PRO A 37 -1.871 19.298 2.507 1.00 0.00 C ATOM 192 C PRO A 37 -0.764 18.297 2.174 1.00 0.00 C ATOM 193 O PRO A 37 0.421 18.586 2.349 1.00 0.00 O ATOM 194 CB PRO A 37 -2.243 19.186 3.989 1.00 0.00 C ATOM 195 CG PRO A 37 -3.722 19.348 4.032 1.00 0.00 C ATOM 196 CD PRO A 37 -4.238 18.771 2.746 1.00 0.00 C ATOM 0 HA PRO A 37 -1.474 20.271 2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.940 18.223 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.745 19.955 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.147 18.829 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.997 20.398 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.460 17.708 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.157 19.261 2.424 1.00 0.00 H new ATOM 204 N ALA A 38 -1.158 17.129 1.676 1.00 0.00 N ATOM 205 CA ALA A 38 -0.219 16.053 1.376 1.00 0.00 C ATOM 206 C ALA A 38 0.727 16.422 0.239 1.00 0.00 C ATOM 207 O ALA A 38 1.848 15.912 0.169 1.00 0.00 O ATOM 208 CB ALA A 38 -0.974 14.778 1.036 1.00 0.00 C ATOM 0 H ALA A 38 -2.131 16.902 1.470 1.00 0.00 H new ATOM 0 HA ALA A 38 0.387 15.889 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.263 13.982 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.593 14.485 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.608 14.951 0.166 1.00 0.00 H new ATOM 214 N SER A 39 0.282 17.325 -0.630 1.00 0.00 N ATOM 215 CA SER A 39 1.048 17.710 -1.808 1.00 0.00 C ATOM 216 C SER A 39 2.374 18.372 -1.430 1.00 0.00 C ATOM 217 O SER A 39 3.322 18.375 -2.215 1.00 0.00 O ATOM 218 CB SER A 39 0.221 18.669 -2.663 1.00 0.00 C ATOM 219 OG SER A 39 -1.083 18.161 -2.898 1.00 0.00 O ATOM 0 H SER A 39 -0.613 17.806 -0.538 1.00 0.00 H new ATOM 0 HA SER A 39 1.275 16.805 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.152 19.636 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.725 18.837 -3.615 1.00 0.00 H new ATOM 0 HG SER A 39 -1.662 18.381 -2.138 1.00 0.00 H new ATOM 225 N LYS A 40 2.437 18.919 -0.224 1.00 0.00 N ATOM 226 CA LYS A 40 3.618 19.643 0.219 1.00 0.00 C ATOM 227 C LYS A 40 4.352 18.857 1.306 1.00 0.00 C ATOM 228 O LYS A 40 5.256 19.376 1.960 1.00 0.00 O ATOM 229 CB LYS A 40 3.204 21.022 0.746 1.00 0.00 C ATOM 230 CG LYS A 40 4.347 22.021 0.847 1.00 0.00 C ATOM 231 CD LYS A 40 3.860 23.362 1.373 1.00 0.00 C ATOM 232 CE LYS A 40 4.962 24.406 1.356 1.00 0.00 C ATOM 233 NZ LYS A 40 6.098 24.044 2.246 1.00 0.00 N ATOM 0 H LYS A 40 1.685 18.875 0.464 1.00 0.00 H new ATOM 0 HA LYS A 40 4.296 19.770 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.435 21.432 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.754 20.902 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.120 21.628 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.803 22.156 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.022 23.708 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.489 23.241 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.327 24.529 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.553 25.368 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.777 24.831 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.741 23.853 3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.571 23.194 1.877 1.00 0.00 H new ATOM 247 N VAL A 41 3.968 17.601 1.494 1.00 0.00 N ATOM 248 CA VAL A 41 4.557 16.785 2.545 1.00 0.00 C ATOM 249 C VAL A 41 5.219 15.540 1.972 1.00 0.00 C ATOM 250 O VAL A 41 6.407 15.297 2.197 1.00 0.00 O ATOM 251 CB VAL A 41 3.503 16.357 3.593 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.125 15.468 4.665 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.846 17.572 4.227 1.00 0.00 C ATOM 0 H VAL A 41 3.256 17.129 0.936 1.00 0.00 H new ATOM 0 HA VAL A 41 5.311 17.403 3.033 1.00 0.00 H new ATOM 0 HB VAL A 41 2.736 15.781 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.362 15.182 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.538 14.573 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.920 16.013 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.109 17.246 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.604 18.180 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.353 18.163 3.455 1.00 0.00 H new ATOM 263 N LEU A 42 4.455 14.764 1.219 1.00 0.00 N ATOM 264 CA LEU A 42 4.934 13.485 0.719 1.00 0.00 C ATOM 265 C LEU A 42 5.211 13.541 -0.772 1.00 0.00 C ATOM 266 O LEU A 42 4.812 14.485 -1.459 1.00 0.00 O ATOM 267 CB LEU A 42 3.906 12.387 0.997 1.00 0.00 C ATOM 268 CG LEU A 42 3.607 12.118 2.472 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.507 11.077 2.604 1.00 0.00 C ATOM 270 CD2 LEU A 42 4.862 11.657 3.197 1.00 0.00 C ATOM 0 H LEU A 42 3.502 14.997 0.941 1.00 0.00 H new ATOM 0 HA LEU A 42 5.865 13.259 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.974 12.653 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.258 11.461 0.542 1.00 0.00 H new ATOM 0 HG LEU A 42 3.267 13.046 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.304 10.894 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.602 11.440 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.826 10.149 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.629 11.471 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.231 10.739 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.627 12.430 3.127 1.00 0.00 H new ATOM 282 N THR A 43 5.892 12.519 -1.259 1.00 0.00 N ATOM 283 CA THR A 43 6.165 12.371 -2.671 1.00 0.00 C ATOM 284 C THR A 43 5.428 11.144 -3.211 1.00 0.00 C ATOM 285 O THR A 43 5.211 10.174 -2.485 1.00 0.00 O ATOM 286 CB THR A 43 7.681 12.240 -2.922 1.00 0.00 C ATOM 287 OG1 THR A 43 8.248 11.268 -2.032 1.00 0.00 O ATOM 288 CG2 THR A 43 8.380 13.575 -2.718 1.00 0.00 C ATOM 0 H THR A 43 6.271 11.768 -0.682 1.00 0.00 H new ATOM 0 HA THR A 43 5.811 13.260 -3.193 1.00 0.00 H new ATOM 0 HB THR A 43 7.825 11.919 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.210 11.192 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.448 13.458 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.972 14.309 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.222 13.916 -1.695 1.00 0.00 H new ATOM 296 N PRO A 44 5.003 11.173 -4.477 1.00 0.00 N ATOM 297 CA PRO A 44 4.255 10.072 -5.073 1.00 0.00 C ATOM 298 C PRO A 44 5.154 8.878 -5.392 1.00 0.00 C ATOM 299 O PRO A 44 6.294 9.042 -5.825 1.00 0.00 O ATOM 300 CB PRO A 44 3.667 10.672 -6.361 1.00 0.00 C ATOM 301 CG PRO A 44 4.048 12.120 -6.361 1.00 0.00 C ATOM 302 CD PRO A 44 5.216 12.264 -5.430 1.00 0.00 C ATOM 0 HA PRO A 44 3.492 9.686 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.062 10.166 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.584 10.555 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.312 12.450 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.213 12.739 -6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.167 12.164 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.224 13.236 -4.937 1.00 0.00 H new ATOM 310 N GLY A 45 4.637 7.677 -5.164 1.00 0.00 N ATOM 311 CA GLY A 45 5.407 6.477 -5.435 1.00 0.00 C ATOM 312 C GLY A 45 5.925 5.807 -4.177 1.00 0.00 C ATOM 313 O GLY A 45 6.549 4.746 -4.246 1.00 0.00 O ATOM 0 H GLY A 45 3.700 7.512 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.786 5.771 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.250 6.731 -6.078 1.00 0.00 H new ATOM 317 N LEU A 46 5.658 6.407 -3.026 1.00 0.00 N ATOM 318 CA LEU A 46 6.130 5.862 -1.757 1.00 0.00 C ATOM 319 C LEU A 46 5.261 4.696 -1.289 1.00 0.00 C ATOM 320 O LEU A 46 4.155 4.484 -1.786 1.00 0.00 O ATOM 321 CB LEU A 46 6.152 6.948 -0.679 1.00 0.00 C ATOM 322 CG LEU A 46 7.085 8.126 -0.955 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.086 9.084 0.226 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.492 7.626 -1.249 1.00 0.00 C ATOM 0 H LEU A 46 5.119 7.269 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 46 7.143 5.493 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.139 7.330 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.441 6.491 0.267 1.00 0.00 H new ATOM 0 HG LEU A 46 6.724 8.665 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.755 9.919 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.076 9.460 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.428 8.560 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.147 8.475 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.867 7.068 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.472 6.975 -2.123 1.00 0.00 H new ATOM 336 N VAL A 47 5.776 3.942 -0.331 1.00 0.00 N ATOM 337 CA VAL A 47 5.019 2.868 0.294 1.00 0.00 C ATOM 338 C VAL A 47 4.670 3.261 1.722 1.00 0.00 C ATOM 339 O VAL A 47 5.494 3.846 2.426 1.00 0.00 O ATOM 340 CB VAL A 47 5.808 1.535 0.307 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.996 0.421 0.965 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.209 1.137 -1.106 1.00 0.00 C ATOM 0 H VAL A 47 6.722 4.055 0.033 1.00 0.00 H new ATOM 0 HA VAL A 47 4.113 2.714 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 47 6.713 1.687 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.575 -0.503 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.764 0.698 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.069 0.271 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.762 0.198 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.315 1.012 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.838 1.915 -1.539 1.00 0.00 H new ATOM 352 N ILE A 48 3.449 2.961 2.137 1.00 0.00 N ATOM 353 CA ILE A 48 3.011 3.246 3.495 1.00 0.00 C ATOM 354 C ILE A 48 3.206 2.022 4.372 1.00 0.00 C ATOM 355 O ILE A 48 2.540 1.003 4.194 1.00 0.00 O ATOM 356 CB ILE A 48 1.530 3.678 3.534 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.332 4.940 2.694 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.080 3.916 4.970 1.00 0.00 C ATOM 359 CD1 ILE A 48 -0.116 5.339 2.521 1.00 0.00 C ATOM 0 H ILE A 48 2.741 2.519 1.551 1.00 0.00 H new ATOM 0 HA ILE A 48 3.616 4.070 3.872 1.00 0.00 H new ATOM 0 HB ILE A 48 0.920 2.878 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.873 5.764 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.776 4.784 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.033 4.220 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.195 2.997 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.689 4.702 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.174 6.243 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.659 4.534 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.560 5.529 3.498 1.00 0.00 H new ATOM 371 N GLU A 49 4.133 2.125 5.305 1.00 0.00 N ATOM 372 CA GLU A 49 4.445 1.027 6.195 1.00 0.00 C ATOM 373 C GLU A 49 3.360 0.870 7.246 1.00 0.00 C ATOM 374 O GLU A 49 2.826 -0.221 7.455 1.00 0.00 O ATOM 375 CB GLU A 49 5.777 1.276 6.892 1.00 0.00 C ATOM 376 CG GLU A 49 6.288 0.078 7.675 1.00 0.00 C ATOM 377 CD GLU A 49 6.912 0.472 8.994 1.00 0.00 C ATOM 378 OE1 GLU A 49 6.153 0.793 9.937 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.158 0.461 9.100 1.00 0.00 O ATOM 0 H GLU A 49 4.687 2.966 5.466 1.00 0.00 H new ATOM 0 HA GLU A 49 4.507 0.116 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.521 1.556 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.670 2.123 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.463 -0.611 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.023 -0.458 7.075 1.00 0.00 H new ATOM 386 N SER A 50 3.039 1.967 7.908 1.00 0.00 N ATOM 387 CA SER A 50 2.097 1.921 9.009 1.00 0.00 C ATOM 388 C SER A 50 1.436 3.269 9.260 1.00 0.00 C ATOM 389 O SER A 50 1.967 4.319 8.893 1.00 0.00 O ATOM 390 CB SER A 50 2.815 1.452 10.276 1.00 0.00 C ATOM 391 OG SER A 50 3.976 2.229 10.523 1.00 0.00 O ATOM 0 H SER A 50 3.414 2.893 7.704 1.00 0.00 H new ATOM 0 HA SER A 50 1.309 1.218 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.139 1.522 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.091 0.403 10.174 1.00 0.00 H new ATOM 0 HG SER A 50 4.771 1.661 10.448 1.00 0.00 H new ATOM 397 N ILE A 51 0.268 3.211 9.885 1.00 0.00 N ATOM 398 CA ILE A 51 -0.452 4.398 10.333 1.00 0.00 C ATOM 399 C ILE A 51 -0.184 4.559 11.835 1.00 0.00 C ATOM 400 O ILE A 51 0.677 3.862 12.369 1.00 0.00 O ATOM 401 CB ILE A 51 -1.976 4.252 10.049 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.210 3.595 8.681 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.690 5.600 10.085 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.705 4.410 7.504 1.00 0.00 C ATOM 0 H ILE A 51 -0.210 2.335 10.097 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.110 5.282 9.794 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.388 3.621 10.836 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.721 2.621 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.278 3.417 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.751 5.455 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.567 6.051 11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.263 6.258 9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.909 3.875 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.212 5.375 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.631 4.566 7.604 1.00 0.00 H new ATOM 416 N ASN A 52 -0.883 5.479 12.496 1.00 0.00 N ATOM 417 CA ASN A 52 -0.736 5.713 13.940 1.00 0.00 C ATOM 418 C ASN A 52 -0.794 4.411 14.743 1.00 0.00 C ATOM 419 O ASN A 52 -1.878 3.935 15.093 1.00 0.00 O ATOM 420 CB ASN A 52 -1.837 6.649 14.466 1.00 0.00 C ATOM 421 CG ASN A 52 -1.873 8.007 13.789 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.585 8.139 12.601 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.235 9.032 14.544 1.00 0.00 N ATOM 0 H ASN A 52 -1.570 6.087 12.049 1.00 0.00 H new ATOM 0 HA ASN A 52 0.243 6.173 14.073 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.804 6.164 14.335 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.695 6.793 15.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.282 9.969 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.467 8.885 15.526 1.00 0.00 H new ATOM 430 N GLY A 53 0.373 3.827 15.003 1.00 0.00 N ATOM 431 CA GLY A 53 0.456 2.641 15.837 1.00 0.00 C ATOM 432 C GLY A 53 -0.075 1.382 15.168 1.00 0.00 C ATOM 433 O GLY A 53 0.113 0.279 15.682 1.00 0.00 O ATOM 0 H GLY A 53 1.270 4.158 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.496 2.480 16.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.102 2.815 16.757 1.00 0.00 H new ATOM 437 N MET A 54 -0.726 1.534 14.022 1.00 0.00 N ATOM 438 CA MET A 54 -1.353 0.406 13.341 1.00 0.00 C ATOM 439 C MET A 54 -0.865 0.302 11.901 1.00 0.00 C ATOM 440 O MET A 54 -1.144 1.175 11.082 1.00 0.00 O ATOM 441 CB MET A 54 -2.881 0.544 13.351 1.00 0.00 C ATOM 442 CG MET A 54 -3.502 0.498 14.738 1.00 0.00 C ATOM 443 SD MET A 54 -5.300 0.641 14.700 1.00 0.00 S ATOM 444 CE MET A 54 -5.497 2.270 13.980 1.00 0.00 C ATOM 0 H MET A 54 -0.834 2.428 13.543 1.00 0.00 H new ATOM 0 HA MET A 54 -1.073 -0.500 13.879 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.153 1.486 12.875 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.311 -0.255 12.746 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.226 -0.438 15.224 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.090 1.305 15.343 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.492 2.651 14.209 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.746 2.944 14.393 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.373 2.207 12.899 1.00 0.00 H new ATOM 454 N PRO A 55 -0.115 -0.758 11.578 1.00 0.00 N ATOM 455 CA PRO A 55 0.343 -1.020 10.217 1.00 0.00 C ATOM 456 C PRO A 55 -0.761 -1.630 9.359 1.00 0.00 C ATOM 457 O PRO A 55 -1.495 -2.509 9.814 1.00 0.00 O ATOM 458 CB PRO A 55 1.491 -2.022 10.395 1.00 0.00 C ATOM 459 CG PRO A 55 1.632 -2.249 11.871 1.00 0.00 C ATOM 460 CD PRO A 55 0.351 -1.789 12.507 1.00 0.00 C ATOM 0 HA PRO A 55 0.646 -0.105 9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.274 -2.957 9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.416 -1.631 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.813 -3.303 12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.482 -1.693 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.368 -2.602 12.604 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.516 -1.389 13.507 1.00 0.00 H new ATOM 468 N THR A 56 -0.882 -1.164 8.121 1.00 0.00 N ATOM 469 CA THR A 56 -1.918 -1.659 7.226 1.00 0.00 C ATOM 470 C THR A 56 -1.329 -2.252 5.954 1.00 0.00 C ATOM 471 O THR A 56 -0.684 -1.554 5.170 1.00 0.00 O ATOM 472 CB THR A 56 -2.911 -0.549 6.840 1.00 0.00 C ATOM 473 OG1 THR A 56 -2.204 0.581 6.310 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.735 -0.119 8.042 1.00 0.00 C ATOM 0 H THR A 56 -0.278 -0.448 7.717 1.00 0.00 H new ATOM 0 HA THR A 56 -2.445 -2.440 7.774 1.00 0.00 H new ATOM 0 HB THR A 56 -3.585 -0.944 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.380 0.277 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.430 0.666 7.745 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.295 -0.973 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.073 0.258 8.821 1.00 0.00 H new ATOM 482 N SER A 57 -1.548 -3.539 5.765 1.00 0.00 N ATOM 483 CA SER A 57 -1.157 -4.213 4.540 1.00 0.00 C ATOM 484 C SER A 57 -2.253 -4.085 3.494 1.00 0.00 C ATOM 485 O SER A 57 -2.019 -3.604 2.393 1.00 0.00 O ATOM 486 CB SER A 57 -0.878 -5.690 4.824 1.00 0.00 C ATOM 487 OG SER A 57 -0.631 -6.412 3.627 1.00 0.00 O ATOM 0 H SER A 57 -1.999 -4.144 6.451 1.00 0.00 H new ATOM 0 HA SER A 57 -0.250 -3.745 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.018 -5.778 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.729 -6.128 5.346 1.00 0.00 H new ATOM 0 HG SER A 57 -1.063 -7.290 3.680 1.00 0.00 H new ATOM 493 N ASN A 58 -3.464 -4.465 3.851 1.00 0.00 N ATOM 494 CA ASN A 58 -4.515 -4.585 2.857 1.00 0.00 C ATOM 495 C ASN A 58 -5.191 -3.230 2.659 1.00 0.00 C ATOM 496 O ASN A 58 -5.143 -2.375 3.549 1.00 0.00 O ATOM 497 CB ASN A 58 -5.553 -5.633 3.279 1.00 0.00 C ATOM 498 CG ASN A 58 -4.936 -6.996 3.537 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.542 -7.308 4.661 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.847 -7.816 2.503 1.00 0.00 N ATOM 0 H ASN A 58 -3.743 -4.693 4.805 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.068 -4.910 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.062 -5.292 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.310 -5.723 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.440 -8.744 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.185 -7.520 1.587 1.00 0.00 H new ATOM 507 N LEU A 59 -5.823 -3.027 1.510 1.00 0.00 N ATOM 508 CA LEU A 59 -6.533 -1.779 1.253 1.00 0.00 C ATOM 509 C LEU A 59 -7.712 -1.633 2.206 1.00 0.00 C ATOM 510 O LEU A 59 -7.997 -0.544 2.702 1.00 0.00 O ATOM 511 CB LEU A 59 -7.019 -1.722 -0.196 1.00 0.00 C ATOM 512 CG LEU A 59 -6.278 -0.729 -1.095 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.897 -0.699 -2.484 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.287 0.663 -0.479 1.00 0.00 C ATOM 0 H LEU A 59 -5.859 -3.703 0.747 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.841 -0.953 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.930 -2.717 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.079 -1.467 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.243 -1.058 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.356 0.013 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.837 -1.692 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.942 -0.397 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.755 1.354 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.316 1.000 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.796 0.634 0.494 1.00 0.00 H new ATOM 526 N THR A 60 -8.380 -2.744 2.471 1.00 0.00 N ATOM 527 CA THR A 60 -9.519 -2.761 3.371 1.00 0.00 C ATOM 528 C THR A 60 -9.099 -2.398 4.800 1.00 0.00 C ATOM 529 O THR A 60 -9.816 -1.688 5.504 1.00 0.00 O ATOM 530 CB THR A 60 -10.186 -4.148 3.361 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.221 -4.646 2.016 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.600 -4.080 3.921 1.00 0.00 C ATOM 0 H THR A 60 -8.149 -3.653 2.071 1.00 0.00 H new ATOM 0 HA THR A 60 -10.233 -2.015 3.022 1.00 0.00 H new ATOM 0 HB THR A 60 -9.603 -4.819 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.644 -5.530 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.047 -5.074 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.567 -3.716 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.199 -3.401 3.315 1.00 0.00 H new ATOM 540 N THR A 61 -7.929 -2.870 5.223 1.00 0.00 N ATOM 541 CA THR A 61 -7.421 -2.539 6.548 1.00 0.00 C ATOM 542 C THR A 61 -6.980 -1.077 6.604 1.00 0.00 C ATOM 543 O THR A 61 -7.096 -0.420 7.638 1.00 0.00 O ATOM 544 CB THR A 61 -6.259 -3.468 6.957 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.340 -3.620 5.873 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.778 -4.837 7.375 1.00 0.00 C ATOM 0 H THR A 61 -7.321 -3.477 4.673 1.00 0.00 H new ATOM 0 HA THR A 61 -8.233 -2.688 7.260 1.00 0.00 H new ATOM 0 HB THR A 61 -5.748 -3.011 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.430 -2.862 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.939 -5.473 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.453 -4.727 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.314 -5.293 6.542 1.00 0.00 H new ATOM 554 N TYR A 62 -6.495 -0.573 5.473 1.00 0.00 N ATOM 555 CA TYR A 62 -6.127 0.833 5.353 1.00 0.00 C ATOM 556 C TYR A 62 -7.371 1.705 5.482 1.00 0.00 C ATOM 557 O TYR A 62 -7.370 2.711 6.189 1.00 0.00 O ATOM 558 CB TYR A 62 -5.439 1.074 4.006 1.00 0.00 C ATOM 559 CG TYR A 62 -4.946 2.490 3.797 1.00 0.00 C ATOM 560 CD1 TYR A 62 -3.696 2.883 4.253 1.00 0.00 C ATOM 561 CD2 TYR A 62 -5.727 3.430 3.128 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.236 4.171 4.057 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.272 4.718 2.928 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.027 5.083 3.392 1.00 0.00 C ATOM 565 OH TYR A 62 -3.570 6.364 3.189 1.00 0.00 O ATOM 0 H TYR A 62 -6.348 -1.120 4.625 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.433 1.096 6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.594 0.392 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.136 0.824 3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.072 2.170 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.702 3.147 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.262 4.461 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.890 5.437 2.410 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.159 6.998 3.649 1.00 0.00 H new ATOM 575 N SER A 63 -8.436 1.294 4.805 1.00 0.00 N ATOM 576 CA SER A 63 -9.708 1.998 4.862 1.00 0.00 C ATOM 577 C SER A 63 -10.262 1.963 6.285 1.00 0.00 C ATOM 578 O SER A 63 -10.824 2.944 6.770 1.00 0.00 O ATOM 579 CB SER A 63 -10.700 1.350 3.886 1.00 0.00 C ATOM 580 OG SER A 63 -11.815 2.192 3.639 1.00 0.00 O ATOM 0 H SER A 63 -8.442 0.469 4.205 1.00 0.00 H new ATOM 0 HA SER A 63 -9.557 3.039 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.195 1.129 2.946 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.044 0.400 4.294 1.00 0.00 H new ATOM 0 HG SER A 63 -12.426 1.750 3.013 1.00 0.00 H new ATOM 586 N ALA A 64 -10.068 0.833 6.963 1.00 0.00 N ATOM 587 CA ALA A 64 -10.544 0.664 8.333 1.00 0.00 C ATOM 588 C ALA A 64 -9.845 1.634 9.278 1.00 0.00 C ATOM 589 O ALA A 64 -10.432 2.098 10.256 1.00 0.00 O ATOM 590 CB ALA A 64 -10.338 -0.770 8.797 1.00 0.00 C ATOM 0 H ALA A 64 -9.583 0.020 6.584 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.611 0.885 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.699 -0.877 9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.891 -1.446 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.277 -1.016 8.759 1.00 0.00 H new ATOM 596 N ALA A 65 -8.588 1.934 8.984 1.00 0.00 N ATOM 597 CA ALA A 65 -7.832 2.899 9.768 1.00 0.00 C ATOM 598 C ALA A 65 -8.255 4.315 9.408 1.00 0.00 C ATOM 599 O ALA A 65 -8.400 5.177 10.273 1.00 0.00 O ATOM 600 CB ALA A 65 -6.339 2.714 9.545 1.00 0.00 C ATOM 0 H ALA A 65 -8.070 1.522 8.208 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.043 2.732 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.789 3.444 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.048 1.708 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.108 2.857 8.489 1.00 0.00 H new ATOM 606 N LEU A 66 -8.475 4.537 8.121 1.00 0.00 N ATOM 607 CA LEU A 66 -8.896 5.829 7.611 1.00 0.00 C ATOM 608 C LEU A 66 -10.233 6.256 8.211 1.00 0.00 C ATOM 609 O LEU A 66 -10.441 7.426 8.526 1.00 0.00 O ATOM 610 CB LEU A 66 -9.000 5.751 6.088 1.00 0.00 C ATOM 611 CG LEU A 66 -8.037 6.653 5.321 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.438 8.108 5.473 1.00 0.00 C ATOM 613 CD2 LEU A 66 -6.607 6.438 5.792 1.00 0.00 C ATOM 0 H LEU A 66 -8.366 3.823 7.401 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.156 6.577 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.828 4.719 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.019 6.004 5.797 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.089 6.390 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.741 8.737 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.445 8.251 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.417 8.383 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.937 7.091 5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.535 6.670 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.322 5.399 5.627 1.00 0.00 H new ATOM 625 N LYS A 67 -11.126 5.291 8.387 1.00 0.00 N ATOM 626 CA LYS A 67 -12.463 5.563 8.903 1.00 0.00 C ATOM 627 C LYS A 67 -12.457 5.858 10.403 1.00 0.00 C ATOM 628 O LYS A 67 -13.486 6.211 10.974 1.00 0.00 O ATOM 629 CB LYS A 67 -13.398 4.396 8.583 1.00 0.00 C ATOM 630 CG LYS A 67 -13.727 4.298 7.105 1.00 0.00 C ATOM 631 CD LYS A 67 -14.534 3.053 6.782 1.00 0.00 C ATOM 632 CE LYS A 67 -14.948 3.044 5.321 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.663 1.799 4.947 1.00 0.00 N ATOM 0 H LYS A 67 -10.948 4.308 8.179 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.830 6.461 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.936 3.465 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.322 4.510 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.287 5.182 6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.802 4.290 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.944 2.164 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.420 3.013 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.589 3.903 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.063 3.155 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.926 1.838 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.043 0.980 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.522 1.705 5.526 1.00 0.00 H new ATOM 647 N THR A 68 -11.310 5.703 11.045 1.00 0.00 N ATOM 648 CA THR A 68 -11.183 6.083 12.447 1.00 0.00 C ATOM 649 C THR A 68 -10.498 7.443 12.582 1.00 0.00 C ATOM 650 O THR A 68 -10.505 8.051 13.656 1.00 0.00 O ATOM 651 CB THR A 68 -10.446 5.016 13.290 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.220 4.605 12.668 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.336 3.803 13.504 1.00 0.00 C ATOM 0 H THR A 68 -10.462 5.322 10.626 1.00 0.00 H new ATOM 0 HA THR A 68 -12.196 6.157 12.844 1.00 0.00 H new ATOM 0 HB THR A 68 -10.207 5.469 14.252 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.978 5.246 11.967 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.803 3.061 14.099 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.243 4.105 14.028 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.601 3.372 12.539 1.00 0.00 H new ATOM 661 N ILE A 69 -9.913 7.916 11.485 1.00 0.00 N ATOM 662 CA ILE A 69 -9.199 9.187 11.479 1.00 0.00 C ATOM 663 C ILE A 69 -10.174 10.359 11.362 1.00 0.00 C ATOM 664 O ILE A 69 -11.104 10.333 10.551 1.00 0.00 O ATOM 665 CB ILE A 69 -8.183 9.254 10.317 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.217 8.066 10.370 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.414 10.563 10.353 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.418 7.983 11.653 1.00 0.00 C ATOM 0 H ILE A 69 -9.920 7.435 10.586 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.661 9.258 12.424 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.737 9.204 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.784 7.143 10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.528 8.132 9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.704 10.591 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.110 11.397 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.875 10.643 11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.758 7.117 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.823 8.888 11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.098 7.884 12.499 1.00 0.00 H new ATOM 680 N SER A 70 -9.947 11.386 12.170 1.00 0.00 N ATOM 681 CA SER A 70 -10.829 12.544 12.215 1.00 0.00 C ATOM 682 C SER A 70 -10.498 13.540 11.101 1.00 0.00 C ATOM 683 O SER A 70 -9.439 13.461 10.467 1.00 0.00 O ATOM 684 CB SER A 70 -10.686 13.232 13.572 1.00 0.00 C ATOM 685 OG SER A 70 -10.506 12.279 14.609 1.00 0.00 O ATOM 0 H SER A 70 -9.153 11.440 12.808 1.00 0.00 H new ATOM 0 HA SER A 70 -11.854 12.202 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.837 13.915 13.550 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.573 13.832 13.775 1.00 0.00 H new ATOM 0 HG SER A 70 -9.551 12.188 14.808 1.00 0.00 H new ATOM 691 N VAL A 71 -11.413 14.474 10.867 1.00 0.00 N ATOM 692 CA VAL A 71 -11.189 15.560 9.923 1.00 0.00 C ATOM 693 C VAL A 71 -10.276 16.603 10.552 1.00 0.00 C ATOM 694 O VAL A 71 -10.565 17.118 11.633 1.00 0.00 O ATOM 695 CB VAL A 71 -12.516 16.230 9.512 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.285 17.259 8.421 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.526 15.192 9.059 1.00 0.00 C ATOM 0 H VAL A 71 -12.325 14.499 11.323 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.724 15.140 9.031 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.920 16.742 10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.235 17.718 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.602 18.027 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.852 16.772 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.454 15.688 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.128 14.647 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.722 14.495 9.874 1.00 0.00 H new ATOM 707 N GLY A 72 -9.172 16.902 9.887 1.00 0.00 N ATOM 708 CA GLY A 72 -8.211 17.827 10.446 1.00 0.00 C ATOM 709 C GLY A 72 -7.337 17.150 11.476 1.00 0.00 C ATOM 710 O GLY A 72 -6.817 17.791 12.388 1.00 0.00 O ATOM 0 H GLY A 72 -8.925 16.522 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.589 18.235 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.734 18.666 10.904 1.00 0.00 H new ATOM 714 N GLU A 73 -7.199 15.843 11.329 1.00 0.00 N ATOM 715 CA GLU A 73 -6.367 15.046 12.212 1.00 0.00 C ATOM 716 C GLU A 73 -4.937 15.079 11.710 1.00 0.00 C ATOM 717 O GLU A 73 -4.695 15.161 10.506 1.00 0.00 O ATOM 718 CB GLU A 73 -6.861 13.605 12.239 1.00 0.00 C ATOM 719 CG GLU A 73 -6.208 12.727 13.294 1.00 0.00 C ATOM 720 CD GLU A 73 -6.696 13.023 14.691 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.829 12.616 15.025 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.951 13.661 15.462 1.00 0.00 O ATOM 0 H GLU A 73 -7.660 15.306 10.595 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.417 15.456 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.938 13.608 12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.691 13.159 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.404 11.681 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.127 12.865 13.256 1.00 0.00 H new ATOM 729 N VAL A 74 -3.997 15.012 12.625 1.00 0.00 N ATOM 730 CA VAL A 74 -2.598 14.950 12.252 1.00 0.00 C ATOM 731 C VAL A 74 -2.102 13.528 12.446 1.00 0.00 C ATOM 732 O VAL A 74 -1.796 13.110 13.563 1.00 0.00 O ATOM 733 CB VAL A 74 -1.724 15.933 13.069 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.273 15.870 12.615 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.259 17.352 12.946 1.00 0.00 C ATOM 0 H VAL A 74 -4.172 14.999 13.630 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.513 15.246 11.207 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.767 15.637 14.117 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.323 16.569 13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.109 14.859 12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.210 16.137 11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.632 18.029 13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.248 17.656 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.281 17.390 13.324 1.00 0.00 H new ATOM 745 N ILE A 75 -2.058 12.778 11.363 1.00 0.00 N ATOM 746 CA ILE A 75 -1.728 11.368 11.430 1.00 0.00 C ATOM 747 C ILE A 75 -0.236 11.137 11.266 1.00 0.00 C ATOM 748 O ILE A 75 0.507 12.021 10.834 1.00 0.00 O ATOM 749 CB ILE A 75 -2.491 10.550 10.369 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.219 11.091 8.960 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.979 10.568 10.675 1.00 0.00 C ATOM 752 CD1 ILE A 75 -2.937 10.326 7.869 1.00 0.00 C ATOM 0 H ILE A 75 -2.247 13.123 10.422 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.033 11.027 12.419 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.137 9.520 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.520 12.138 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.146 11.060 8.769 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.512 9.988 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.153 10.132 11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.340 11.596 10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.698 10.764 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.618 9.284 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.013 10.378 8.036 1.00 0.00 H new ATOM 764 N ASN A 76 0.188 9.943 11.623 1.00 0.00 N ATOM 765 CA ASN A 76 1.584 9.568 11.551 1.00 0.00 C ATOM 766 C ASN A 76 1.759 8.441 10.543 1.00 0.00 C ATOM 767 O ASN A 76 1.234 7.342 10.726 1.00 0.00 O ATOM 768 CB ASN A 76 2.074 9.129 12.933 1.00 0.00 C ATOM 769 CG ASN A 76 3.508 8.648 12.917 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.327 9.127 12.139 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.814 7.700 13.784 1.00 0.00 N ATOM 0 H ASN A 76 -0.425 9.206 11.971 1.00 0.00 H new ATOM 0 HA ASN A 76 2.175 10.425 11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.982 9.963 13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.431 8.331 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.766 7.335 13.826 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.099 7.332 14.411 1.00 0.00 H new ATOM 778 N ILE A 77 2.487 8.720 9.477 1.00 0.00 N ATOM 779 CA ILE A 77 2.652 7.768 8.397 1.00 0.00 C ATOM 780 C ILE A 77 4.124 7.436 8.206 1.00 0.00 C ATOM 781 O ILE A 77 4.905 8.265 7.734 1.00 0.00 O ATOM 782 CB ILE A 77 2.093 8.318 7.066 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.700 8.920 7.266 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.044 7.214 6.019 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.167 9.628 6.036 1.00 0.00 C ATOM 0 H ILE A 77 2.976 9.604 9.337 1.00 0.00 H new ATOM 0 HA ILE A 77 2.096 6.871 8.670 1.00 0.00 H new ATOM 0 HB ILE A 77 2.759 9.107 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.007 8.127 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.733 9.625 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.648 7.615 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.049 6.827 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.399 6.408 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.824 10.030 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.839 10.442 5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.102 8.921 5.209 1.00 0.00 H new ATOM 797 N THR A 78 4.505 6.237 8.597 1.00 0.00 N ATOM 798 CA THR A 78 5.847 5.757 8.336 1.00 0.00 C ATOM 799 C THR A 78 5.919 5.249 6.899 1.00 0.00 C ATOM 800 O THR A 78 5.194 4.329 6.523 1.00 0.00 O ATOM 801 CB THR A 78 6.245 4.641 9.324 1.00 0.00 C ATOM 802 OG1 THR A 78 6.036 5.094 10.672 1.00 0.00 O ATOM 803 CG2 THR A 78 7.705 4.239 9.139 1.00 0.00 C ATOM 0 H THR A 78 3.906 5.578 9.095 1.00 0.00 H new ATOM 0 HA THR A 78 6.550 6.578 8.473 1.00 0.00 H new ATOM 0 HB THR A 78 5.622 3.769 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.288 4.384 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.958 3.451 9.848 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.856 3.875 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.345 5.104 9.314 1.00 0.00 H new ATOM 811 N THR A 79 6.765 5.868 6.091 1.00 0.00 N ATOM 812 CA THR A 79 6.815 5.563 4.669 1.00 0.00 C ATOM 813 C THR A 79 8.185 5.052 4.246 1.00 0.00 C ATOM 814 O THR A 79 9.072 4.839 5.073 1.00 0.00 O ATOM 815 CB THR A 79 6.492 6.803 3.815 1.00 0.00 C ATOM 816 OG1 THR A 79 7.426 7.851 4.101 1.00 0.00 O ATOM 817 CG2 THR A 79 5.074 7.295 4.062 1.00 0.00 C ATOM 0 H THR A 79 7.426 6.584 6.394 1.00 0.00 H new ATOM 0 HA THR A 79 6.067 4.788 4.504 1.00 0.00 H new ATOM 0 HB THR A 79 6.573 6.517 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.838 7.692 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.880 8.171 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.366 6.507 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.959 7.560 5.113 1.00 0.00 H new ATOM 825 N ASP A 80 8.336 4.887 2.938 1.00 0.00 N ATOM 826 CA ASP A 80 9.595 4.479 2.323 1.00 0.00 C ATOM 827 C ASP A 80 10.730 5.437 2.685 1.00 0.00 C ATOM 828 O ASP A 80 11.867 5.014 2.895 1.00 0.00 O ATOM 829 CB ASP A 80 9.416 4.429 0.801 1.00 0.00 C ATOM 830 CG ASP A 80 10.687 4.074 0.051 1.00 0.00 C ATOM 831 OD1 ASP A 80 10.983 2.873 -0.089 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.379 4.993 -0.428 1.00 0.00 O ATOM 0 H ASP A 80 7.582 5.034 2.267 1.00 0.00 H new ATOM 0 HA ASP A 80 9.863 3.492 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.645 3.698 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.058 5.398 0.454 1.00 0.00 H new ATOM 837 N GLN A 81 10.406 6.724 2.785 1.00 0.00 N ATOM 838 CA GLN A 81 11.411 7.747 3.067 1.00 0.00 C ATOM 839 C GLN A 81 11.504 8.036 4.559 1.00 0.00 C ATOM 840 O GLN A 81 12.189 8.972 4.982 1.00 0.00 O ATOM 841 CB GLN A 81 11.092 9.036 2.310 1.00 0.00 C ATOM 842 CG GLN A 81 11.082 8.872 0.801 1.00 0.00 C ATOM 843 CD GLN A 81 10.740 10.158 0.071 1.00 0.00 C ATOM 844 OE1 GLN A 81 11.183 10.381 -1.054 1.00 0.00 O ATOM 845 NE2 GLN A 81 9.944 11.008 0.700 1.00 0.00 N ATOM 0 H GLN A 81 9.458 7.083 2.675 1.00 0.00 H new ATOM 0 HA GLN A 81 12.374 7.363 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.118 9.405 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.826 9.796 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.060 8.522 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.360 8.102 0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.597 10.787 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.678 11.884 0.251 1.00 0.00 H new ATOM 854 N GLY A 82 10.809 7.238 5.346 1.00 0.00 N ATOM 855 CA GLY A 82 10.861 7.390 6.783 1.00 0.00 C ATOM 856 C GLY A 82 9.545 7.856 7.368 1.00 0.00 C ATOM 857 O GLY A 82 8.524 7.878 6.680 1.00 0.00 O ATOM 0 H GLY A 82 10.207 6.484 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.138 6.438 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.642 8.105 7.041 1.00 0.00 H new ATOM 861 N THR A 83 9.578 8.225 8.636 1.00 0.00 N ATOM 862 CA THR A 83 8.392 8.656 9.356 1.00 0.00 C ATOM 863 C THR A 83 8.008 10.093 9.001 1.00 0.00 C ATOM 864 O THR A 83 8.838 11.000 9.078 1.00 0.00 O ATOM 865 CB THR A 83 8.642 8.567 10.871 1.00 0.00 C ATOM 866 OG1 THR A 83 9.249 7.307 11.185 1.00 0.00 O ATOM 867 CG2 THR A 83 7.346 8.723 11.649 1.00 0.00 C ATOM 0 H THR A 83 10.430 8.234 9.197 1.00 0.00 H new ATOM 0 HA THR A 83 7.573 7.998 9.066 1.00 0.00 H new ATOM 0 HB THR A 83 9.311 9.379 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.409 7.253 12.150 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.553 8.656 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.902 9.693 11.425 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.653 7.932 11.363 1.00 0.00 H new ATOM 875 N PHE A 84 6.758 10.293 8.607 1.00 0.00 N ATOM 876 CA PHE A 84 6.239 11.630 8.351 1.00 0.00 C ATOM 877 C PHE A 84 4.895 11.810 9.040 1.00 0.00 C ATOM 878 O PHE A 84 4.219 10.838 9.368 1.00 0.00 O ATOM 879 CB PHE A 84 6.073 11.890 6.852 1.00 0.00 C ATOM 880 CG PHE A 84 7.363 11.913 6.080 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.114 13.074 5.999 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.821 10.778 5.430 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.295 13.102 5.284 1.00 0.00 C ATOM 884 CE2 PHE A 84 9.001 10.802 4.713 1.00 0.00 C ATOM 885 CZ PHE A 84 9.739 11.964 4.642 1.00 0.00 C ATOM 0 H PHE A 84 6.082 9.544 8.457 1.00 0.00 H new ATOM 0 HA PHE A 84 6.960 12.344 8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.426 11.121 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.564 12.844 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.772 13.967 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.248 9.864 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.871 14.014 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.345 9.911 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.664 11.984 4.085 1.00 0.00 H new ATOM 895 N HIS A 85 4.520 13.054 9.272 1.00 0.00 N ATOM 896 CA HIS A 85 3.227 13.363 9.855 1.00 0.00 C ATOM 897 C HIS A 85 2.419 14.201 8.878 1.00 0.00 C ATOM 898 O HIS A 85 2.949 15.115 8.246 1.00 0.00 O ATOM 899 CB HIS A 85 3.386 14.095 11.190 1.00 0.00 C ATOM 900 CG HIS A 85 3.994 13.255 12.276 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.311 12.869 13.412 1.00 0.00 N ATOM 902 CD2 HIS A 85 5.239 12.735 12.399 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.109 12.150 14.181 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.283 12.055 13.588 1.00 0.00 N ATOM 0 H HIS A 85 5.095 13.871 9.065 1.00 0.00 H new ATOM 0 HA HIS A 85 2.698 12.430 10.052 1.00 0.00 H new ATOM 0 HB2 HIS A 85 4.006 14.978 11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.408 14.445 11.520 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.048 12.837 11.691 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.845 11.714 15.133 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.093 11.556 13.955 1.00 0.00 H new ATOM 913 N LEU A 86 1.143 13.888 8.751 1.00 0.00 N ATOM 914 CA LEU A 86 0.308 14.523 7.742 1.00 0.00 C ATOM 915 C LEU A 86 -1.034 14.926 8.335 1.00 0.00 C ATOM 916 O LEU A 86 -1.626 14.186 9.113 1.00 0.00 O ATOM 917 CB LEU A 86 0.102 13.556 6.569 1.00 0.00 C ATOM 918 CG LEU A 86 -0.013 14.180 5.171 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.012 13.090 4.116 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.284 15.000 5.031 1.00 0.00 C ATOM 0 H LEU A 86 0.661 13.201 9.330 1.00 0.00 H new ATOM 0 HA LEU A 86 0.806 15.424 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.933 12.851 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.803 12.979 6.759 1.00 0.00 H new ATOM 0 HG LEU A 86 0.837 14.847 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.070 13.540 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.948 12.537 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.824 12.410 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.333 15.427 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.150 14.359 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.282 15.803 5.768 1.00 0.00 H new ATOM 932 N LYS A 87 -1.502 16.099 7.964 1.00 0.00 N ATOM 933 CA LYS A 87 -2.795 16.584 8.417 1.00 0.00 C ATOM 934 C LYS A 87 -3.862 16.277 7.371 1.00 0.00 C ATOM 935 O LYS A 87 -3.741 16.669 6.207 1.00 0.00 O ATOM 936 CB LYS A 87 -2.735 18.084 8.705 1.00 0.00 C ATOM 937 CG LYS A 87 -4.020 18.649 9.293 1.00 0.00 C ATOM 938 CD LYS A 87 -3.852 20.104 9.705 1.00 0.00 C ATOM 939 CE LYS A 87 -3.478 20.981 8.522 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.223 22.390 8.926 1.00 0.00 N ATOM 0 H LYS A 87 -1.005 16.740 7.346 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.058 16.073 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.914 18.279 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.506 18.613 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.823 18.568 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.317 18.057 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.779 20.466 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.081 20.179 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.589 20.577 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.281 20.956 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.971 22.951 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.079 22.786 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.440 22.419 9.610 1.00 0.00 H new ATOM 954 N THR A 88 -4.891 15.561 7.789 1.00 0.00 N ATOM 955 CA THR A 88 -5.931 15.100 6.882 1.00 0.00 C ATOM 956 C THR A 88 -6.791 16.251 6.364 1.00 0.00 C ATOM 957 O THR A 88 -7.089 17.202 7.093 1.00 0.00 O ATOM 958 CB THR A 88 -6.817 14.051 7.571 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.333 14.565 8.804 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.019 12.781 7.840 1.00 0.00 C ATOM 0 H THR A 88 -5.030 15.283 8.761 1.00 0.00 H new ATOM 0 HA THR A 88 -5.434 14.646 6.025 1.00 0.00 H new ATOM 0 HB THR A 88 -7.650 13.817 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.043 13.975 9.133 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.659 12.046 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.654 12.374 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.173 13.013 8.487 1.00 0.00 H new ATOM 968 N GLY A 89 -7.178 16.156 5.094 1.00 0.00 N ATOM 969 CA GLY A 89 -7.965 17.196 4.475 1.00 0.00 C ATOM 970 C GLY A 89 -9.416 17.167 4.902 1.00 0.00 C ATOM 971 O GLY A 89 -9.798 16.424 5.808 1.00 0.00 O ATOM 0 H GLY A 89 -6.956 15.370 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.537 18.167 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.908 17.092 3.391 1.00 0.00 H new ATOM 975 N ARG A 90 -10.226 17.956 4.223 1.00 0.00 N ATOM 976 CA ARG A 90 -11.617 18.154 4.608 1.00 0.00 C ATOM 977 C ARG A 90 -12.571 17.745 3.488 1.00 0.00 C ATOM 978 O ARG A 90 -12.187 17.694 2.320 1.00 0.00 O ATOM 979 CB ARG A 90 -11.866 19.626 4.964 1.00 0.00 C ATOM 980 CG ARG A 90 -11.620 19.991 6.424 1.00 0.00 C ATOM 981 CD ARG A 90 -10.179 19.767 6.853 1.00 0.00 C ATOM 982 NE ARG A 90 -9.956 20.211 8.229 1.00 0.00 N ATOM 983 CZ ARG A 90 -8.842 20.802 8.659 1.00 0.00 C ATOM 984 NH1 ARG A 90 -7.836 21.036 7.825 1.00 0.00 N ATOM 985 NH2 ARG A 90 -8.743 21.167 9.932 1.00 0.00 N ATOM 0 H ARG A 90 -9.944 18.477 3.393 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.807 17.524 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.226 20.248 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.897 19.875 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.883 21.037 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.279 19.398 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.932 18.709 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.510 20.306 6.182 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.704 20.058 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.912 20.763 6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.987 21.489 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.517 20.994 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.893 21.620 10.268 1.00 0.00 H new ATOM 999 N ASN A 91 -13.807 17.449 3.886 1.00 0.00 N ATOM 1000 CA ASN A 91 -14.934 17.229 2.970 1.00 0.00 C ATOM 1001 C ASN A 91 -14.706 16.082 1.978 1.00 0.00 C ATOM 1002 O ASN A 91 -14.219 16.288 0.866 1.00 0.00 O ATOM 1003 CB ASN A 91 -15.289 18.513 2.208 1.00 0.00 C ATOM 1004 CG ASN A 91 -15.614 19.674 3.132 1.00 0.00 C ATOM 1005 OD1 ASN A 91 -16.727 19.786 3.644 1.00 0.00 O ATOM 1006 ND2 ASN A 91 -14.658 20.570 3.322 1.00 0.00 N ATOM 0 H ASN A 91 -14.062 17.353 4.869 1.00 0.00 H new ATOM 0 HA ASN A 91 -15.771 16.938 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.455 18.790 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -16.143 18.321 1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.833 21.386 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.747 20.445 2.881 1.00 0.00 H new ATOM 1013 N PRO A 92 -15.044 14.850 2.386 1.00 0.00 N ATOM 1014 CA PRO A 92 -15.105 13.699 1.497 1.00 0.00 C ATOM 1015 C PRO A 92 -16.531 13.496 0.974 1.00 0.00 C ATOM 1016 O PRO A 92 -17.295 14.454 0.881 1.00 0.00 O ATOM 1017 CB PRO A 92 -14.694 12.561 2.425 1.00 0.00 C ATOM 1018 CG PRO A 92 -15.205 12.962 3.772 1.00 0.00 C ATOM 1019 CD PRO A 92 -15.369 14.468 3.767 1.00 0.00 C ATOM 0 HA PRO A 92 -14.479 13.788 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.126 11.613 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -13.612 12.430 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.156 12.473 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.510 12.655 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.384 14.761 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.700 14.946 4.483 1.00 0.00 H new ATOM 1027 N ASN A 93 -16.898 12.263 0.643 1.00 0.00 N ATOM 1028 CA ASN A 93 -18.256 11.991 0.177 1.00 0.00 C ATOM 1029 C ASN A 93 -19.121 11.433 1.310 1.00 0.00 C ATOM 1030 O ASN A 93 -19.803 12.185 2.005 1.00 0.00 O ATOM 1031 CB ASN A 93 -18.253 11.030 -1.018 1.00 0.00 C ATOM 1032 CG ASN A 93 -19.655 10.656 -1.477 1.00 0.00 C ATOM 1033 OD1 ASN A 93 -20.601 11.433 -1.342 1.00 0.00 O ATOM 1034 ND2 ASN A 93 -19.800 9.459 -2.019 1.00 0.00 N ATOM 0 H ASN A 93 -16.287 11.447 0.687 1.00 0.00 H new ATOM 0 HA ASN A 93 -18.686 12.937 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -17.715 11.490 -1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.710 10.124 -0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -20.718 9.153 -2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -18.994 8.842 -2.115 1.00 0.00 H new ATOM 1041 N ASN A 94 -19.065 10.119 1.514 1.00 0.00 N ATOM 1042 CA ASN A 94 -19.908 9.465 2.513 1.00 0.00 C ATOM 1043 C ASN A 94 -19.119 9.186 3.788 1.00 0.00 C ATOM 1044 O ASN A 94 -19.693 8.907 4.840 1.00 0.00 O ATOM 1045 CB ASN A 94 -20.490 8.161 1.950 1.00 0.00 C ATOM 1046 CG ASN A 94 -21.502 7.512 2.881 1.00 0.00 C ATOM 1047 OD1 ASN A 94 -21.153 6.675 3.718 1.00 0.00 O ATOM 1048 ND2 ASN A 94 -22.763 7.892 2.742 1.00 0.00 N ATOM 0 H ASN A 94 -18.448 9.488 1.003 1.00 0.00 H new ATOM 0 HA ASN A 94 -20.730 10.137 2.759 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -20.966 8.366 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.678 7.460 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.486 7.490 3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.012 8.587 2.038 1.00 0.00 H new ATOM 1055 N SER A 95 -17.798 9.277 3.691 1.00 0.00 N ATOM 1056 CA SER A 95 -16.934 9.028 4.838 1.00 0.00 C ATOM 1057 C SER A 95 -17.172 10.069 5.931 1.00 0.00 C ATOM 1058 O SER A 95 -17.218 9.731 7.115 1.00 0.00 O ATOM 1059 CB SER A 95 -15.463 9.044 4.412 1.00 0.00 C ATOM 1060 OG SER A 95 -15.230 8.151 3.332 1.00 0.00 O ATOM 0 H SER A 95 -17.303 9.521 2.833 1.00 0.00 H new ATOM 0 HA SER A 95 -17.176 8.043 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.178 10.054 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.834 8.767 5.258 1.00 0.00 H new ATOM 0 HG SER A 95 -14.284 8.183 3.080 1.00 0.00 H new ATOM 1066 N SER A 96 -17.327 11.333 5.515 1.00 0.00 N ATOM 1067 CA SER A 96 -17.532 12.455 6.440 1.00 0.00 C ATOM 1068 C SER A 96 -16.346 12.637 7.388 1.00 0.00 C ATOM 1069 O SER A 96 -16.434 13.337 8.396 1.00 0.00 O ATOM 1070 CB SER A 96 -18.813 12.252 7.237 1.00 0.00 C ATOM 1071 OG SER A 96 -19.952 12.278 6.389 1.00 0.00 O ATOM 0 H SER A 96 -17.314 11.606 4.532 1.00 0.00 H new ATOM 0 HA SER A 96 -17.618 13.362 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.770 11.299 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.901 13.031 7.994 1.00 0.00 H new ATOM 0 HG SER A 96 -20.762 12.144 6.925 1.00 0.00 H new ATOM 1077 N ARG A 97 -15.239 12.017 7.034 1.00 0.00 N ATOM 1078 CA ARG A 97 -14.043 12.012 7.861 1.00 0.00 C ATOM 1079 C ARG A 97 -12.839 12.493 7.063 1.00 0.00 C ATOM 1080 O ARG A 97 -12.994 13.115 6.010 1.00 0.00 O ATOM 1081 CB ARG A 97 -13.787 10.599 8.378 1.00 0.00 C ATOM 1082 CG ARG A 97 -14.878 10.076 9.289 1.00 0.00 C ATOM 1083 CD ARG A 97 -14.790 8.574 9.433 1.00 0.00 C ATOM 1084 NE ARG A 97 -15.840 8.049 10.300 1.00 0.00 N ATOM 1085 CZ ARG A 97 -16.651 7.048 9.968 1.00 0.00 C ATOM 1086 NH1 ARG A 97 -16.570 6.493 8.765 1.00 0.00 N ATOM 1087 NH2 ARG A 97 -17.556 6.616 10.835 1.00 0.00 N ATOM 0 H ARG A 97 -15.140 11.499 6.161 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.195 12.688 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.681 9.925 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.839 10.585 8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -14.793 10.544 10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -15.854 10.350 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.865 8.110 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.815 8.305 9.839 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.960 8.476 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.884 6.834 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.194 5.726 8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.630 7.051 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.179 5.849 10.582 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.654 12.226 7.601 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.392 12.513 6.934 1.00 0.00 C ATOM 1103 C ALA A 98 -10.402 12.062 5.476 1.00 0.00 C ATOM 1104 O ALA A 98 -10.913 10.988 5.153 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.269 11.815 7.673 1.00 0.00 C ATOM 0 H ALA A 98 -11.543 11.800 8.521 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.243 13.593 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.321 12.026 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.230 12.176 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.447 10.740 7.673 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.835 12.881 4.601 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.796 12.558 3.181 1.00 0.00 C ATOM 1113 C TYR A 99 -8.354 12.409 2.699 1.00 0.00 C ATOM 1114 O TYR A 99 -8.103 11.850 1.633 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.522 13.643 2.372 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.783 13.261 0.932 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.621 12.198 0.620 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -10.190 13.958 -0.113 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.861 11.840 -0.690 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -10.424 13.606 -1.428 1.00 0.00 C ATOM 1121 CZ TYR A 99 -11.261 12.546 -1.712 1.00 0.00 C ATOM 1122 OH TYR A 99 -11.497 12.188 -3.022 1.00 0.00 O ATOM 0 H TYR A 99 -9.398 13.769 4.847 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.305 11.606 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.472 13.869 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.928 14.557 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.093 11.642 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.535 14.789 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.516 11.011 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -9.955 14.157 -2.229 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.000 12.786 -3.619 1.00 0.00 H new ATOM 1132 N MET A 100 -7.408 12.897 3.504 1.00 0.00 N ATOM 1133 CA MET A 100 -5.988 12.883 3.136 1.00 0.00 C ATOM 1134 C MET A 100 -5.759 13.646 1.830 1.00 0.00 C ATOM 1135 O MET A 100 -6.512 14.566 1.503 1.00 0.00 O ATOM 1136 CB MET A 100 -5.464 11.446 3.021 1.00 0.00 C ATOM 1137 CG MET A 100 -5.502 10.677 4.333 1.00 0.00 C ATOM 1138 SD MET A 100 -4.717 9.063 4.213 1.00 0.00 S ATOM 1139 CE MET A 100 -3.025 9.526 3.847 1.00 0.00 C ATOM 0 H MET A 100 -7.599 13.308 4.418 1.00 0.00 H new ATOM 0 HA MET A 100 -5.431 13.384 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 100 -6.056 10.911 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.438 11.471 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.005 11.262 5.107 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.539 10.550 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.343 8.889 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.837 9.404 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.864 10.567 4.127 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.702 13.295 1.107 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.413 13.973 -0.141 1.00 0.00 C ATOM 1151 C GLY A 101 -3.597 13.129 -1.094 1.00 0.00 C ATOM 1152 O GLY A 101 -2.797 13.654 -1.870 1.00 0.00 O ATOM 0 H GLY A 101 -4.044 12.558 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.350 14.252 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.875 14.897 0.070 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.797 11.822 -1.042 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.092 10.899 -1.924 1.00 0.00 C ATOM 1158 C ILE A 102 -4.010 9.749 -2.312 1.00 0.00 C ATOM 1159 O ILE A 102 -5.069 9.562 -1.717 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.784 10.342 -1.283 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.048 9.675 0.081 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.750 11.444 -1.115 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.604 8.269 0.012 1.00 0.00 C ATOM 0 H ILE A 102 -4.445 11.372 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.802 11.460 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.399 9.584 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.115 9.653 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.744 10.297 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.153 11.030 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.509 11.868 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.152 12.224 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.755 7.887 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.556 8.280 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.901 7.626 -0.518 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.605 8.999 -3.316 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.336 7.820 -3.744 1.00 0.00 C ATOM 1177 C ARG A 103 -3.554 6.576 -3.355 1.00 0.00 C ATOM 1178 O ARG A 103 -2.344 6.507 -3.575 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.555 7.858 -5.258 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.305 9.091 -5.741 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.724 9.133 -5.208 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.452 10.311 -5.680 1.00 0.00 N ATOM 1183 CZ ARG A 103 -8.745 10.536 -5.436 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -9.468 9.639 -4.776 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -9.325 11.644 -5.877 1.00 0.00 N ATOM 0 H ARG A 103 -2.762 9.187 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.310 7.799 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.587 7.815 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.108 6.968 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.772 9.988 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.326 9.100 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.254 8.232 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.702 9.133 -4.118 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.941 11.002 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.036 8.773 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.456 9.816 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.783 12.328 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.313 11.812 -5.688 1.00 0.00 H new ATOM 1199 N THR A 104 -4.231 5.613 -2.759 1.00 0.00 N ATOM 1200 CA THR A 104 -3.578 4.402 -2.306 1.00 0.00 C ATOM 1201 C THR A 104 -3.991 3.191 -3.131 1.00 0.00 C ATOM 1202 O THR A 104 -5.175 2.972 -3.401 1.00 0.00 O ATOM 1203 CB THR A 104 -3.871 4.137 -0.823 1.00 0.00 C ATOM 1204 OG1 THR A 104 -5.113 4.754 -0.453 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.745 4.666 0.048 1.00 0.00 C ATOM 0 H THR A 104 -5.234 5.647 -2.578 1.00 0.00 H new ATOM 0 HA THR A 104 -2.507 4.557 -2.437 1.00 0.00 H new ATOM 0 HB THR A 104 -3.947 3.060 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.197 4.761 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.972 4.468 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.813 4.170 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.641 5.740 -0.104 1.00 0.00 H new ATOM 1213 N SER A 105 -2.998 2.428 -3.546 1.00 0.00 N ATOM 1214 CA SER A 105 -3.223 1.186 -4.252 1.00 0.00 C ATOM 1215 C SER A 105 -2.841 0.010 -3.362 1.00 0.00 C ATOM 1216 O SER A 105 -2.177 0.180 -2.345 1.00 0.00 O ATOM 1217 CB SER A 105 -2.405 1.159 -5.546 1.00 0.00 C ATOM 1218 OG SER A 105 -2.723 2.266 -6.374 1.00 0.00 O ATOM 0 H SER A 105 -2.014 2.654 -3.402 1.00 0.00 H new ATOM 0 HA SER A 105 -4.280 1.108 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.341 1.173 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.599 0.231 -6.084 1.00 0.00 H new ATOM 0 HG SER A 105 -2.186 2.227 -7.193 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.262 -1.169 -3.757 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.982 -2.391 -3.031 1.00 0.00 C ATOM 1226 C ASN A 106 -2.092 -3.275 -3.894 1.00 0.00 C ATOM 1227 O ASN A 106 -2.235 -4.500 -3.941 1.00 0.00 O ATOM 1228 CB ASN A 106 -4.304 -3.091 -2.712 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.180 -4.156 -1.644 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -4.913 -5.145 -1.658 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -3.275 -3.955 -0.701 1.00 0.00 N ATOM 0 H ASN A 106 -3.816 -1.311 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.466 -2.179 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.032 -2.346 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.695 -3.545 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.164 -4.634 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.688 -3.121 -0.727 1.00 0.00 H new ATOM 1238 N HIS A 107 -1.164 -2.618 -4.574 1.00 0.00 N ATOM 1239 CA HIS A 107 -0.283 -3.268 -5.529 1.00 0.00 C ATOM 1240 C HIS A 107 0.874 -3.941 -4.810 1.00 0.00 C ATOM 1241 O HIS A 107 1.692 -3.267 -4.185 1.00 0.00 O ATOM 1242 CB HIS A 107 0.245 -2.230 -6.529 1.00 0.00 C ATOM 1243 CG HIS A 107 1.121 -2.795 -7.609 1.00 0.00 C ATOM 1244 ND1 HIS A 107 0.626 -3.363 -8.760 1.00 0.00 N ATOM 1245 CD2 HIS A 107 2.469 -2.851 -7.717 1.00 0.00 C ATOM 1246 CE1 HIS A 107 1.629 -3.746 -9.527 1.00 0.00 C ATOM 1247 NE2 HIS A 107 2.764 -3.445 -8.921 1.00 0.00 N ATOM 0 H HIS A 107 -1.001 -1.616 -4.478 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.843 -4.032 -6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.603 -1.727 -6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.806 -1.471 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.183 -2.494 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.537 -4.226 -10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.700 -3.623 -9.285 1.00 0.00 H new ATOM 1256 N LEU A 108 0.932 -5.264 -4.908 1.00 0.00 N ATOM 1257 CA LEU A 108 2.016 -6.033 -4.312 1.00 0.00 C ATOM 1258 C LEU A 108 3.363 -5.539 -4.800 1.00 0.00 C ATOM 1259 O LEU A 108 3.577 -5.328 -5.996 1.00 0.00 O ATOM 1260 CB LEU A 108 1.870 -7.520 -4.631 1.00 0.00 C ATOM 1261 CG LEU A 108 0.937 -8.289 -3.701 1.00 0.00 C ATOM 1262 CD1 LEU A 108 0.361 -9.511 -4.403 1.00 0.00 C ATOM 1263 CD2 LEU A 108 1.683 -8.710 -2.445 1.00 0.00 C ATOM 0 H LEU A 108 0.237 -5.828 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 108 1.960 -5.896 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.506 -7.623 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 108 2.856 -7.983 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 108 0.112 -7.633 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.301 -10.044 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.201 -9.195 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.173 -10.171 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.008 -9.258 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.523 -9.349 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.054 -7.825 -1.928 1.00 0.00 H new ATOM 1275 N ARG A 109 4.263 -5.375 -3.860 1.00 0.00 N ATOM 1276 CA ARG A 109 5.595 -4.874 -4.152 1.00 0.00 C ATOM 1277 C ARG A 109 6.618 -5.701 -3.386 1.00 0.00 C ATOM 1278 O ARG A 109 6.458 -5.944 -2.188 1.00 0.00 O ATOM 1279 CB ARG A 109 5.693 -3.387 -3.785 1.00 0.00 C ATOM 1280 CG ARG A 109 6.946 -2.704 -4.304 1.00 0.00 C ATOM 1281 CD ARG A 109 6.855 -1.193 -4.150 1.00 0.00 C ATOM 1282 NE ARG A 109 8.060 -0.516 -4.635 1.00 0.00 N ATOM 1283 CZ ARG A 109 8.248 0.806 -4.611 1.00 0.00 C ATOM 1284 NH1 ARG A 109 7.288 1.628 -4.201 1.00 0.00 N ATOM 1285 NH2 ARG A 109 9.398 1.313 -5.032 1.00 0.00 N ATOM 0 H ARG A 109 4.099 -5.582 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 109 5.800 -4.965 -5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.819 -2.868 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.661 -3.288 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.816 -3.075 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.092 -2.957 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.988 -0.825 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.698 -0.945 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 109 8.808 -1.095 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.390 1.252 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.449 2.635 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.134 0.694 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.547 2.322 -5.016 1.00 0.00 H new ATOM 1299 N VAL A 110 7.647 -6.159 -4.080 1.00 0.00 N ATOM 1300 CA VAL A 110 8.615 -7.066 -3.489 1.00 0.00 C ATOM 1301 C VAL A 110 9.489 -6.370 -2.448 1.00 0.00 C ATOM 1302 O VAL A 110 10.013 -5.279 -2.672 1.00 0.00 O ATOM 1303 CB VAL A 110 9.489 -7.737 -4.570 1.00 0.00 C ATOM 1304 CG1 VAL A 110 10.271 -6.709 -5.377 1.00 0.00 C ATOM 1305 CG2 VAL A 110 10.426 -8.763 -3.956 1.00 0.00 C ATOM 0 H VAL A 110 7.833 -5.917 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 110 8.047 -7.843 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 110 8.817 -8.254 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.875 -7.219 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.577 -6.029 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 110 10.922 -6.143 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.030 -9.220 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.079 -8.273 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.842 -9.533 -3.452 1.00 0.00 H new ATOM 1315 N ARG A 111 9.611 -7.009 -1.294 1.00 0.00 N ATOM 1316 CA ARG A 111 10.455 -6.503 -0.214 1.00 0.00 C ATOM 1317 C ARG A 111 11.880 -7.025 -0.383 1.00 0.00 C ATOM 1318 O ARG A 111 12.816 -6.544 0.257 1.00 0.00 O ATOM 1319 CB ARG A 111 9.886 -6.926 1.147 1.00 0.00 C ATOM 1320 CG ARG A 111 8.483 -6.396 1.412 1.00 0.00 C ATOM 1321 CD ARG A 111 8.480 -4.890 1.624 1.00 0.00 C ATOM 1322 NE ARG A 111 9.144 -4.520 2.872 1.00 0.00 N ATOM 1323 CZ ARG A 111 9.369 -3.268 3.267 1.00 0.00 C ATOM 1324 NH1 ARG A 111 8.993 -2.241 2.514 1.00 0.00 N ATOM 1325 NH2 ARG A 111 9.970 -3.051 4.428 1.00 0.00 N ATOM 0 H ARG A 111 9.134 -7.884 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 111 10.472 -5.414 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 111 9.871 -8.014 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 111 10.553 -6.576 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.835 -6.646 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.069 -6.888 2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.981 -4.403 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.453 -4.526 1.636 1.00 0.00 H new ATOM 0 HE ARG A 111 9.457 -5.274 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.526 -2.406 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.171 -1.287 2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.255 -3.839 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.147 -2.096 4.740 1.00 0.00 H new ATOM 1339 N ASP A 112 12.005 -8.046 -1.234 1.00 0.00 N ATOM 1340 CA ASP A 112 13.293 -8.614 -1.640 1.00 0.00 C ATOM 1341 C ASP A 112 14.066 -9.173 -0.447 1.00 0.00 C ATOM 1342 O ASP A 112 15.296 -9.238 -0.452 1.00 0.00 O ATOM 1343 CB ASP A 112 14.120 -7.568 -2.392 1.00 0.00 C ATOM 1344 CG ASP A 112 15.297 -8.176 -3.131 1.00 0.00 C ATOM 1345 OD1 ASP A 112 15.137 -9.265 -3.727 1.00 0.00 O ATOM 1346 OD2 ASP A 112 16.379 -7.551 -3.149 1.00 0.00 O ATOM 0 H ASP A 112 11.205 -8.507 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 112 13.095 -9.449 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 112 13.479 -7.046 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.485 -6.822 -1.686 1.00 0.00 H new ATOM 1351 N SER A 113 13.337 -9.618 0.560 1.00 0.00 N ATOM 1352 CA SER A 113 13.951 -10.209 1.733 1.00 0.00 C ATOM 1353 C SER A 113 13.034 -11.269 2.322 1.00 0.00 C ATOM 1354 O SER A 113 11.960 -11.545 1.777 1.00 0.00 O ATOM 1355 CB SER A 113 14.273 -9.138 2.781 1.00 0.00 C ATOM 1356 OG SER A 113 15.074 -9.671 3.830 1.00 0.00 O ATOM 0 H SER A 113 12.318 -9.581 0.588 1.00 0.00 H new ATOM 0 HA SER A 113 14.888 -10.678 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.795 -8.307 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 113 13.347 -8.739 3.194 1.00 0.00 H new ATOM 0 HG SER A 113 15.267 -8.967 4.484 1.00 0.00 H new ATOM 1362 N VAL A 114 13.462 -11.849 3.433 1.00 0.00 N ATOM 1363 CA VAL A 114 12.727 -12.920 4.082 1.00 0.00 C ATOM 1364 C VAL A 114 11.363 -12.442 4.574 1.00 0.00 C ATOM 1365 O VAL A 114 11.218 -11.331 5.091 1.00 0.00 O ATOM 1366 CB VAL A 114 13.528 -13.523 5.260 1.00 0.00 C ATOM 1367 CG1 VAL A 114 14.755 -14.259 4.743 1.00 0.00 C ATOM 1368 CG2 VAL A 114 13.930 -12.438 6.253 1.00 0.00 C ATOM 0 H VAL A 114 14.327 -11.590 3.908 1.00 0.00 H new ATOM 0 HA VAL A 114 12.573 -13.697 3.333 1.00 0.00 H new ATOM 0 HB VAL A 114 12.890 -14.237 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.309 -14.678 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.443 -15.063 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.394 -13.564 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.492 -12.885 7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.550 -11.696 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.035 -11.956 6.647 1.00 0.00 H new ATOM 1378 N ALA A 115 10.368 -13.289 4.384 1.00 0.00 N ATOM 1379 CA ALA A 115 9.011 -13.019 4.828 1.00 0.00 C ATOM 1380 C ALA A 115 8.310 -14.344 5.070 1.00 0.00 C ATOM 1381 O ALA A 115 7.800 -14.603 6.161 1.00 0.00 O ATOM 1382 CB ALA A 115 8.255 -12.193 3.797 1.00 0.00 C ATOM 0 H ALA A 115 10.478 -14.188 3.915 1.00 0.00 H new ATOM 0 HA ALA A 115 9.038 -12.441 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 115 7.242 -12.005 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.768 -11.244 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.212 -12.738 2.854 1.00 0.00 H new ATOM 1388 N SER A 116 8.312 -15.182 4.030 1.00 0.00 N ATOM 1389 CA SER A 116 7.836 -16.560 4.128 1.00 0.00 C ATOM 1390 C SER A 116 6.346 -16.615 4.471 1.00 0.00 C ATOM 1391 O SER A 116 5.623 -15.638 4.276 1.00 0.00 O ATOM 1392 CB SER A 116 8.662 -17.310 5.178 1.00 0.00 C ATOM 1393 OG SER A 116 10.048 -17.062 5.001 1.00 0.00 O ATOM 0 H SER A 116 8.643 -14.923 3.100 1.00 0.00 H new ATOM 0 HA SER A 116 7.961 -17.041 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.357 -16.999 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.467 -18.380 5.104 1.00 0.00 H new ATOM 0 HG SER A 116 10.557 -17.549 5.682 1.00 0.00 H new ATOM 1399 N VAL A 117 5.903 -17.778 4.949 1.00 0.00 N ATOM 1400 CA VAL A 117 4.524 -17.982 5.395 1.00 0.00 C ATOM 1401 C VAL A 117 3.524 -17.843 4.245 1.00 0.00 C ATOM 1402 O VAL A 117 3.081 -16.741 3.912 1.00 0.00 O ATOM 1403 CB VAL A 117 4.136 -17.017 6.540 1.00 0.00 C ATOM 1404 CG1 VAL A 117 2.721 -17.294 7.035 1.00 0.00 C ATOM 1405 CG2 VAL A 117 5.130 -17.122 7.688 1.00 0.00 C ATOM 0 H VAL A 117 6.491 -18.607 5.038 1.00 0.00 H new ATOM 0 HA VAL A 117 4.479 -19.003 5.773 1.00 0.00 H new ATOM 0 HB VAL A 117 4.164 -16.001 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.475 -16.601 7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.016 -17.162 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.659 -18.317 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.840 -16.436 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.135 -18.142 8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.127 -16.864 7.331 1.00 0.00 H new ATOM 1415 N LEU A 118 3.187 -18.971 3.633 1.00 0.00 N ATOM 1416 CA LEU A 118 2.177 -19.003 2.584 1.00 0.00 C ATOM 1417 C LEU A 118 1.037 -19.926 2.985 1.00 0.00 C ATOM 1418 O LEU A 118 -0.135 -19.555 2.919 1.00 0.00 O ATOM 1419 CB LEU A 118 2.784 -19.463 1.255 1.00 0.00 C ATOM 1420 CG LEU A 118 3.760 -18.481 0.611 1.00 0.00 C ATOM 1421 CD1 LEU A 118 4.341 -19.073 -0.660 1.00 0.00 C ATOM 1422 CD2 LEU A 118 3.063 -17.164 0.312 1.00 0.00 C ATOM 0 H LEU A 118 3.600 -19.879 3.846 1.00 0.00 H new ATOM 0 HA LEU A 118 1.789 -17.993 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.300 -20.409 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.974 -19.659 0.552 1.00 0.00 H new ATOM 0 HG LEU A 118 4.575 -18.291 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.035 -18.362 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 118 4.870 -19.996 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.536 -19.287 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.771 -16.474 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.232 -17.339 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.686 -16.733 1.239 1.00 0.00 H new ATOM 1434 N GLY A 119 1.390 -21.128 3.415 1.00 0.00 N ATOM 1435 CA GLY A 119 0.389 -22.084 3.829 1.00 0.00 C ATOM 1436 C GLY A 119 0.198 -23.172 2.801 1.00 0.00 C ATOM 1437 O GLY A 119 -0.812 -23.197 2.094 1.00 0.00 O ATOM 0 H GLY A 119 2.353 -21.457 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.682 -22.529 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -0.558 -21.570 3.996 1.00 0.00 H new ATOM 1441 N ASP A 120 1.178 -24.060 2.699 1.00 0.00 N ATOM 1442 CA ASP A 120 1.113 -25.165 1.754 1.00 0.00 C ATOM 1443 C ASP A 120 0.080 -26.184 2.192 1.00 0.00 C ATOM 1444 O ASP A 120 0.353 -27.045 3.032 1.00 0.00 O ATOM 1445 CB ASP A 120 2.475 -25.849 1.609 1.00 0.00 C ATOM 1446 CG ASP A 120 3.532 -24.936 1.019 1.00 0.00 C ATOM 1447 OD1 ASP A 120 4.057 -24.074 1.753 1.00 0.00 O ATOM 1448 OD2 ASP A 120 3.845 -25.079 -0.182 1.00 0.00 O ATOM 0 H ASP A 120 2.029 -24.036 3.261 1.00 0.00 H new ATOM 0 HA ASP A 120 0.823 -24.753 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.807 -26.197 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 120 2.368 -26.730 0.976 1.00 0.00 H new ATOM 1453 N THR A 121 -1.118 -26.067 1.649 1.00 0.00 N ATOM 1454 CA THR A 121 -2.155 -27.035 1.922 1.00 0.00 C ATOM 1455 C THR A 121 -1.998 -28.219 0.968 1.00 0.00 C ATOM 1456 O THR A 121 -1.903 -28.052 -0.254 1.00 0.00 O ATOM 1457 CB THR A 121 -3.568 -26.404 1.828 1.00 0.00 C ATOM 1458 OG1 THR A 121 -4.552 -27.349 2.255 1.00 0.00 O ATOM 1459 CG2 THR A 121 -3.888 -25.927 0.419 1.00 0.00 C ATOM 0 H THR A 121 -1.393 -25.313 1.019 1.00 0.00 H new ATOM 0 HA THR A 121 -2.048 -27.390 2.947 1.00 0.00 H new ATOM 0 HB THR A 121 -3.583 -25.533 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.442 -26.944 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 121 -4.887 -25.492 0.400 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.159 -25.175 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 121 -3.847 -26.771 -0.269 1.00 0.00 H new ATOM 1467 N LEU A 122 -1.920 -29.413 1.530 1.00 0.00 N ATOM 1468 CA LEU A 122 -1.600 -30.597 0.751 1.00 0.00 C ATOM 1469 C LEU A 122 -2.803 -31.052 -0.064 1.00 0.00 C ATOM 1470 O LEU A 122 -3.898 -31.247 0.467 1.00 0.00 O ATOM 1471 CB LEU A 122 -1.085 -31.701 1.673 1.00 0.00 C ATOM 1472 CG LEU A 122 0.195 -31.327 2.430 1.00 0.00 C ATOM 1473 CD1 LEU A 122 0.610 -32.432 3.381 1.00 0.00 C ATOM 1474 CD2 LEU A 122 1.320 -31.020 1.453 1.00 0.00 C ATOM 0 H LEU A 122 -2.074 -29.588 2.523 1.00 0.00 H new ATOM 0 HA LEU A 122 -0.809 -30.354 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.863 -31.951 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.898 -32.597 1.082 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.012 -30.434 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.520 -32.139 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.185 -32.606 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.794 -33.347 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.221 -30.756 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.516 -31.897 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.030 -30.186 0.814 1.00 0.00 H new ATOM 1486 N PRO A 123 -2.604 -31.196 -1.380 1.00 0.00 N ATOM 1487 CA PRO A 123 -3.684 -31.475 -2.323 1.00 0.00 C ATOM 1488 C PRO A 123 -4.153 -32.924 -2.296 1.00 0.00 C ATOM 1489 O PRO A 123 -3.415 -33.840 -2.660 1.00 0.00 O ATOM 1490 CB PRO A 123 -3.059 -31.144 -3.675 1.00 0.00 C ATOM 1491 CG PRO A 123 -1.603 -31.397 -3.493 1.00 0.00 C ATOM 1492 CD PRO A 123 -1.294 -31.099 -2.050 1.00 0.00 C ATOM 0 HA PRO A 123 -4.578 -30.898 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -3.473 -31.769 -4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.248 -30.108 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -1.355 -32.430 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.013 -30.763 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.581 -31.813 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.857 -30.108 -1.931 1.00 0.00 H new ATOM 1500 N PHE A 124 -5.382 -33.118 -1.845 1.00 0.00 N ATOM 1501 CA PHE A 124 -6.019 -34.423 -1.875 1.00 0.00 C ATOM 1502 C PHE A 124 -7.404 -34.298 -2.494 1.00 0.00 C ATOM 1503 O PHE A 124 -8.204 -33.452 -2.082 1.00 0.00 O ATOM 1504 CB PHE A 124 -6.124 -35.022 -0.467 1.00 0.00 C ATOM 1505 CG PHE A 124 -4.795 -35.356 0.149 1.00 0.00 C ATOM 1506 CD1 PHE A 124 -4.112 -36.499 -0.227 1.00 0.00 C ATOM 1507 CD2 PHE A 124 -4.227 -34.524 1.101 1.00 0.00 C ATOM 1508 CE1 PHE A 124 -2.887 -36.808 0.332 1.00 0.00 C ATOM 1509 CE2 PHE A 124 -3.002 -34.827 1.663 1.00 0.00 C ATOM 1510 CZ PHE A 124 -2.331 -35.971 1.278 1.00 0.00 C ATOM 0 H PHE A 124 -5.963 -32.379 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.406 -35.093 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.647 -34.318 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.731 -35.926 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.542 -37.158 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -4.748 -33.629 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.365 -37.704 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.569 -34.170 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 124 -1.373 -36.210 1.716 1.00 0.00 H new ATOM 1520 N ALA A 125 -7.673 -35.113 -3.500 1.00 0.00 N ATOM 1521 CA ALA A 125 -8.957 -35.092 -4.171 1.00 0.00 C ATOM 1522 C ALA A 125 -9.881 -36.126 -3.548 1.00 0.00 C ATOM 1523 O ALA A 125 -10.666 -35.756 -2.655 1.00 0.00 O ATOM 1524 CB ALA A 125 -8.778 -35.350 -5.661 1.00 0.00 C ATOM 1525 OXT ALA A 125 -9.801 -37.311 -3.935 1.00 0.00 O ATOM 0 H ALA A 125 -7.015 -35.799 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.408 -34.107 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.751 -35.331 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.140 -34.578 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.315 -36.326 -5.808 1.00 0.00 H new TER 1531 ALA A 125