USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 906 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 Single : A 3 THR OG1 : rot 37:sc= 0.183 USER MOD Single : A 10 ASN : amide:sc= 0.28 K(o=0.28,f=-0.57) USER MOD Single : A 11 THR OG1 : rot -86:sc= 0.282 USER MOD Single : A 15 SER OG : rot 180:sc=0.000942 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.85 K(o=-2.8,f=-4.5!) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.99! C(o=-9.5!,f=-4!) USER MOD Single : A 32 SER OG : rot 46:sc= -0.471 USER MOD Single : A 37 THR OG1 : rot 116:sc= 1.22 USER MOD Single : A 42 ASN : amide:sc= -2.81! C(o=-2.8!,f=-8.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -11.6! C(o=-12!,f=-16!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 130:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.12) USER MOD Single : A 77 TYR OH : rot 117:sc= 0.242 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 0.326 (180deg=0.236) USER MOD Single : A 85 MET CE :methyl 175:sc= 0 (180deg=-0.0126) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 90 SER OG : rot 90:sc= -0.158 USER MOD Single : A 94 SER OG : rot 126:sc= 1.02 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 99 HIS : no HE2:sc= -0.345 K(o=-0.35,f=-1) USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= -1.01 (180deg=-2.12!) USER MOD Single : A 108 ASN : amide:sc= -0.595 K(o=-0.6,f=-8.1!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 124 HIS :FLIP no HE2:sc= -1.48 F(o=-3!,f=-1.5) USER MOD Single : A 128 THR OG1 : rot 2:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -15.732 9.818 -4.358 1.00 0.00 N ATOM 31 CA THR A 3 -14.385 9.279 -4.278 1.00 0.00 C ATOM 32 C THR A 3 -14.412 7.764 -4.488 1.00 0.00 C ATOM 33 O THR A 3 -15.342 7.087 -4.052 1.00 0.00 O ATOM 34 CB THR A 3 -13.776 9.602 -2.900 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.869 11.009 -2.650 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.322 9.165 -2.820 1.00 0.00 C ATOM 0 HA THR A 3 -13.775 9.734 -5.058 1.00 0.00 H new ATOM 0 HB THR A 3 -14.338 9.052 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.711 11.351 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.923 9.407 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.256 8.089 -2.984 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.743 9.684 -3.584 1.00 0.00 H new ATOM 44 N ILE A 4 -13.373 7.247 -5.147 1.00 0.00 N ATOM 45 CA ILE A 4 -13.289 5.832 -5.518 1.00 0.00 C ATOM 46 C ILE A 4 -13.421 4.883 -4.323 1.00 0.00 C ATOM 47 O ILE A 4 -13.789 3.723 -4.488 1.00 0.00 O ATOM 48 CB ILE A 4 -11.984 5.522 -6.300 1.00 0.00 C ATOM 49 CG1 ILE A 4 -10.762 6.250 -5.710 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.152 5.891 -7.767 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.267 5.693 -4.393 1.00 0.00 C ATOM 0 H ILE A 4 -12.565 7.797 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.145 5.652 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.800 4.451 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.948 6.210 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.015 7.301 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.231 5.669 -8.306 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.971 5.314 -8.196 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.375 6.955 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.405 6.269 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.061 5.758 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.978 4.650 -4.525 1.00 0.00 H new ATOM 63 N VAL A 5 -13.110 5.373 -3.133 1.00 0.00 N ATOM 64 CA VAL A 5 -13.279 4.595 -1.918 1.00 0.00 C ATOM 65 C VAL A 5 -14.654 4.850 -1.315 1.00 0.00 C ATOM 66 O VAL A 5 -15.286 3.955 -0.765 1.00 0.00 O ATOM 67 CB VAL A 5 -12.195 4.922 -0.868 1.00 0.00 C ATOM 68 CG1 VAL A 5 -11.989 6.418 -0.737 1.00 0.00 C ATOM 69 CG2 VAL A 5 -12.571 4.318 0.462 1.00 0.00 C ATOM 0 H VAL A 5 -12.737 6.311 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.182 3.545 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.252 4.489 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.220 6.615 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.676 6.828 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.923 6.888 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.802 4.552 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.526 4.728 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.657 3.236 0.359 1.00 0.00 H new ATOM 79 N ASP A 6 -15.102 6.089 -1.423 1.00 0.00 N ATOM 80 CA ASP A 6 -16.392 6.496 -0.887 1.00 0.00 C ATOM 81 C ASP A 6 -17.491 5.657 -1.491 1.00 0.00 C ATOM 82 O ASP A 6 -18.363 5.145 -0.797 1.00 0.00 O ATOM 83 CB ASP A 6 -16.651 7.963 -1.201 1.00 0.00 C ATOM 84 CG ASP A 6 -17.844 8.517 -0.452 1.00 0.00 C ATOM 85 OD1 ASP A 6 -17.808 8.542 0.794 1.00 0.00 O ATOM 86 OD2 ASP A 6 -18.811 8.957 -1.110 1.00 0.00 O1- ATOM 0 H ASP A 6 -14.585 6.839 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.379 6.354 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.766 8.546 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.814 8.078 -2.273 1.00 0.00 H new ATOM 91 N ILE A 7 -17.424 5.509 -2.800 1.00 0.00 N ATOM 92 CA ILE A 7 -18.383 4.696 -3.526 1.00 0.00 C ATOM 93 C ILE A 7 -18.404 3.257 -3.011 1.00 0.00 C ATOM 94 O ILE A 7 -19.415 2.578 -3.118 1.00 0.00 O ATOM 95 CB ILE A 7 -18.088 4.695 -5.033 1.00 0.00 C ATOM 96 CG1 ILE A 7 -17.901 6.131 -5.509 1.00 0.00 C ATOM 97 CG2 ILE A 7 -19.234 4.027 -5.789 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.072 6.253 -6.763 1.00 0.00 C ATOM 0 H ILE A 7 -16.711 5.944 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.363 5.142 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.175 4.132 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.880 6.575 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.429 6.709 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.016 4.031 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.346 2.999 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.159 4.574 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.983 7.304 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.079 5.840 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.554 5.704 -7.572 1.00 0.00 H new ATOM 110 N ALA A 8 -17.303 2.800 -2.421 1.00 0.00 N ATOM 111 CA ALA A 8 -17.240 1.442 -1.888 1.00 0.00 C ATOM 112 C ALA A 8 -18.265 1.243 -0.772 1.00 0.00 C ATOM 113 O ALA A 8 -18.787 0.146 -0.591 1.00 0.00 O ATOM 114 CB ALA A 8 -15.839 1.113 -1.394 1.00 0.00 C ATOM 0 H ALA A 8 -16.449 3.344 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.483 0.756 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.821 0.096 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.133 1.196 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.558 1.811 -0.605 1.00 0.00 H new ATOM 120 N VAL A 9 -18.557 2.306 -0.026 1.00 0.00 N ATOM 121 CA VAL A 9 -19.595 2.246 0.998 1.00 0.00 C ATOM 122 C VAL A 9 -20.951 2.665 0.414 1.00 0.00 C ATOM 123 O VAL A 9 -22.002 2.449 1.020 1.00 0.00 O ATOM 124 CB VAL A 9 -19.243 3.123 2.229 1.00 0.00 C ATOM 125 CG1 VAL A 9 -19.412 4.606 1.933 1.00 0.00 C ATOM 126 CG2 VAL A 9 -20.072 2.717 3.438 1.00 0.00 C ATOM 0 H VAL A 9 -18.094 3.211 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.659 1.212 1.338 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.191 2.953 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -19.156 5.186 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -18.755 4.890 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -20.447 4.806 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.808 3.346 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.131 2.840 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.872 1.674 3.682 1.00 0.00 H new ATOM 136 N ASN A 10 -20.920 3.245 -0.781 1.00 0.00 N ATOM 137 CA ASN A 10 -22.133 3.683 -1.463 1.00 0.00 C ATOM 138 C ASN A 10 -22.668 2.588 -2.376 1.00 0.00 C ATOM 139 O ASN A 10 -23.806 2.655 -2.839 1.00 0.00 O ATOM 140 CB ASN A 10 -21.848 4.928 -2.303 1.00 0.00 C ATOM 141 CG ASN A 10 -21.393 6.114 -1.488 1.00 0.00 C ATOM 142 OD1 ASN A 10 -21.728 6.248 -0.309 1.00 0.00 O ATOM 143 ND2 ASN A 10 -20.651 6.998 -2.127 1.00 0.00 N ATOM 0 H ASN A 10 -20.061 3.424 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 10 -22.878 3.912 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.083 4.690 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -22.749 5.199 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -20.329 7.837 -1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -20.400 6.842 -3.103 1.00 0.00 H new ATOM 150 N THR A 11 -21.836 1.591 -2.641 1.00 0.00 N ATOM 151 CA THR A 11 -22.177 0.535 -3.581 1.00 0.00 C ATOM 152 C THR A 11 -23.426 -0.223 -3.164 1.00 0.00 C ATOM 153 O THR A 11 -23.611 -0.530 -1.985 1.00 0.00 O ATOM 154 CB THR A 11 -21.032 -0.473 -3.741 1.00 0.00 C ATOM 155 OG1 THR A 11 -20.491 -0.815 -2.459 1.00 0.00 O ATOM 156 CG2 THR A 11 -19.944 0.073 -4.650 1.00 0.00 C ATOM 0 H THR A 11 -20.915 1.492 -2.215 1.00 0.00 H new ATOM 0 HA THR A 11 -22.362 1.035 -4.531 1.00 0.00 H new ATOM 0 HB THR A 11 -21.434 -1.374 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.804 -0.162 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.146 -0.663 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.363 0.282 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.541 0.992 -4.224 1.00 0.00 H new ATOM 164 N PRO A 12 -24.306 -0.531 -4.123 1.00 0.00 N ATOM 165 CA PRO A 12 -25.492 -1.341 -3.876 1.00 0.00 C ATOM 166 C PRO A 12 -25.160 -2.824 -3.786 1.00 0.00 C ATOM 167 O PRO A 12 -25.567 -3.623 -4.635 1.00 0.00 O ATOM 168 CB PRO A 12 -26.389 -1.061 -5.096 1.00 0.00 C ATOM 169 CG PRO A 12 -25.694 0.007 -5.875 1.00 0.00 C ATOM 170 CD PRO A 12 -24.248 -0.101 -5.523 1.00 0.00 C ATOM 0 HA PRO A 12 -25.965 -1.092 -2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.523 -1.960 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.382 -0.735 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -25.846 -0.130 -6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.085 0.992 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -23.728 -0.825 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -23.728 0.850 -5.636 1.00 0.00 H new ATOM 178 N GLY A 13 -24.404 -3.185 -2.760 1.00 0.00 N ATOM 179 CA GLY A 13 -24.053 -4.573 -2.548 1.00 0.00 C ATOM 180 C GLY A 13 -23.075 -5.076 -3.585 1.00 0.00 C ATOM 181 O GLY A 13 -23.283 -6.131 -4.186 1.00 0.00 O ATOM 0 H GLY A 13 -24.026 -2.538 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.620 -4.689 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -24.956 -5.183 -2.575 1.00 0.00 H new ATOM 185 N PHE A 14 -22.029 -4.298 -3.826 1.00 0.00 N ATOM 186 CA PHE A 14 -20.992 -4.685 -4.783 1.00 0.00 C ATOM 187 C PHE A 14 -20.224 -5.920 -4.324 1.00 0.00 C ATOM 188 O PHE A 14 -20.560 -6.545 -3.318 1.00 0.00 O ATOM 189 CB PHE A 14 -19.999 -3.549 -5.007 1.00 0.00 C ATOM 190 CG PHE A 14 -19.884 -3.130 -6.442 1.00 0.00 C ATOM 191 CD1 PHE A 14 -20.913 -2.440 -7.059 1.00 0.00 C ATOM 192 CD2 PHE A 14 -18.746 -3.428 -7.175 1.00 0.00 C ATOM 193 CE1 PHE A 14 -20.811 -2.054 -8.380 1.00 0.00 C ATOM 194 CE2 PHE A 14 -18.639 -3.044 -8.496 1.00 0.00 C ATOM 195 CZ PHE A 14 -19.672 -2.356 -9.100 1.00 0.00 C ATOM 0 H PHE A 14 -21.873 -3.396 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.507 -4.915 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.301 -2.689 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.018 -3.858 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.806 -2.201 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.935 -3.966 -6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.621 -1.516 -8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.747 -3.282 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.590 -2.054 -10.134 1.00 0.00 H new ATOM 205 N SER A 15 -19.185 -6.253 -5.073 1.00 0.00 N ATOM 206 CA SER A 15 -18.339 -7.392 -4.766 1.00 0.00 C ATOM 207 C SER A 15 -17.641 -7.201 -3.418 1.00 0.00 C ATOM 208 O SER A 15 -17.606 -6.095 -2.869 1.00 0.00 O ATOM 209 CB SER A 15 -17.306 -7.560 -5.877 1.00 0.00 C ATOM 210 OG SER A 15 -17.930 -7.532 -7.152 1.00 0.00 O ATOM 0 H SER A 15 -18.906 -5.741 -5.910 1.00 0.00 H new ATOM 0 HA SER A 15 -18.956 -8.288 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.563 -6.765 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.775 -8.503 -5.747 1.00 0.00 H new ATOM 0 HG SER A 15 -17.251 -7.639 -7.851 1.00 0.00 H new ATOM 216 N THR A 16 -17.074 -8.282 -2.903 1.00 0.00 N ATOM 217 CA THR A 16 -16.422 -8.269 -1.601 1.00 0.00 C ATOM 218 C THR A 16 -15.220 -7.330 -1.589 1.00 0.00 C ATOM 219 O THR A 16 -14.770 -6.908 -0.528 1.00 0.00 O ATOM 220 CB THR A 16 -15.987 -9.693 -1.194 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.077 -10.601 -1.399 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.558 -9.747 0.267 1.00 0.00 C ATOM 0 H THR A 16 -17.052 -9.188 -3.372 1.00 0.00 H new ATOM 0 HA THR A 16 -17.147 -7.901 -0.875 1.00 0.00 H new ATOM 0 HB THR A 16 -15.135 -9.977 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.802 -11.506 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.258 -10.764 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.718 -9.071 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.391 -9.445 0.902 1.00 0.00 H new ATOM 230 N LEU A 17 -14.711 -6.997 -2.769 1.00 0.00 N ATOM 231 CA LEU A 17 -13.623 -6.034 -2.890 1.00 0.00 C ATOM 232 C LEU A 17 -13.963 -4.723 -2.184 1.00 0.00 C ATOM 233 O LEU A 17 -13.097 -4.100 -1.570 1.00 0.00 O ATOM 234 CB LEU A 17 -13.310 -5.758 -4.363 1.00 0.00 C ATOM 235 CG LEU A 17 -12.734 -6.939 -5.145 1.00 0.00 C ATOM 236 CD1 LEU A 17 -12.571 -6.573 -6.610 1.00 0.00 C ATOM 237 CD2 LEU A 17 -11.402 -7.377 -4.555 1.00 0.00 C ATOM 0 H LEU A 17 -15.035 -7.380 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.745 -6.468 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.225 -5.430 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.604 -4.929 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.431 -7.773 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.160 -7.423 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.542 -6.309 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.894 -5.724 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.010 -8.218 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.695 -6.548 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.545 -7.679 -3.517 1.00 0.00 H new ATOM 249 N VAL A 18 -15.230 -4.312 -2.251 1.00 0.00 N ATOM 250 CA VAL A 18 -15.635 -3.046 -1.641 1.00 0.00 C ATOM 251 C VAL A 18 -15.854 -3.238 -0.155 1.00 0.00 C ATOM 252 O VAL A 18 -15.699 -2.316 0.644 1.00 0.00 O ATOM 253 CB VAL A 18 -16.915 -2.459 -2.281 1.00 0.00 C ATOM 254 CG1 VAL A 18 -16.839 -2.564 -3.793 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.179 -3.133 -1.748 1.00 0.00 C ATOM 0 H VAL A 18 -15.980 -4.826 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.828 -2.334 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.975 -1.406 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.745 -2.148 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.973 -2.009 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.744 -3.611 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.055 -2.691 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.144 -4.199 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.240 -2.990 -0.669 1.00 0.00 H new ATOM 265 N THR A 19 -16.217 -4.452 0.208 1.00 0.00 N ATOM 266 CA THR A 19 -16.475 -4.770 1.588 1.00 0.00 C ATOM 267 C THR A 19 -15.175 -4.990 2.332 1.00 0.00 C ATOM 268 O THR A 19 -15.100 -4.767 3.527 1.00 0.00 O ATOM 269 CB THR A 19 -17.361 -6.011 1.725 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.273 -6.085 0.617 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.142 -5.940 3.027 1.00 0.00 C ATOM 0 H THR A 19 -16.339 -5.232 -0.438 1.00 0.00 H new ATOM 0 HA THR A 19 -17.004 -3.923 2.024 1.00 0.00 H new ATOM 0 HB THR A 19 -16.732 -6.901 1.729 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.836 -6.882 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.772 -6.824 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.447 -5.897 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.768 -5.047 3.028 1.00 0.00 H new ATOM 279 N ALA A 20 -14.151 -5.399 1.604 1.00 0.00 N ATOM 280 CA ALA A 20 -12.849 -5.674 2.181 1.00 0.00 C ATOM 281 C ALA A 20 -12.221 -4.418 2.787 1.00 0.00 C ATOM 282 O ALA A 20 -11.642 -4.471 3.863 1.00 0.00 O ATOM 283 CB ALA A 20 -11.962 -6.316 1.137 1.00 0.00 C ATOM 0 H ALA A 20 -14.200 -5.550 0.596 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.968 -6.375 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.983 -6.523 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.414 -7.248 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.849 -5.639 0.290 1.00 0.00 H new ATOM 289 N VAL A 21 -12.354 -3.280 2.119 1.00 0.00 N ATOM 290 CA VAL A 21 -11.928 -2.014 2.716 1.00 0.00 C ATOM 291 C VAL A 21 -12.929 -1.568 3.786 1.00 0.00 C ATOM 292 O VAL A 21 -12.544 -1.028 4.827 1.00 0.00 O ATOM 293 CB VAL A 21 -11.742 -0.894 1.660 1.00 0.00 C ATOM 294 CG1 VAL A 21 -12.842 -0.937 0.602 1.00 0.00 C ATOM 295 CG2 VAL A 21 -11.725 0.459 2.347 1.00 0.00 C ATOM 0 H VAL A 21 -12.746 -3.203 1.180 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.956 -2.189 3.176 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.790 -1.056 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.681 -0.139 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.819 -1.900 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.812 -0.803 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.594 1.244 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.667 0.612 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.901 0.495 3.060 1.00 0.00 H new ATOM 305 N LYS A 22 -14.210 -1.831 3.537 1.00 0.00 N ATOM 306 CA LYS A 22 -15.268 -1.461 4.468 1.00 0.00 C ATOM 307 C LYS A 22 -15.078 -2.156 5.808 1.00 0.00 C ATOM 308 O LYS A 22 -15.199 -1.543 6.868 1.00 0.00 O ATOM 309 CB LYS A 22 -16.644 -1.827 3.893 1.00 0.00 C ATOM 310 CG LYS A 22 -17.380 -0.668 3.256 1.00 0.00 C ATOM 311 CD LYS A 22 -18.832 -0.995 2.978 1.00 0.00 C ATOM 312 CE LYS A 22 -18.998 -2.028 1.873 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.413 -2.449 1.715 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.539 -2.301 2.694 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.217 -0.383 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.517 -2.614 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.261 -2.239 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.324 0.200 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.886 -0.395 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.298 -1.367 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.359 -0.083 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.635 -1.614 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.383 -2.900 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.483 -3.153 0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.752 -2.867 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.997 -1.622 1.477 1.00 0.00 H new ATOM 327 N VAL A 23 -14.761 -3.432 5.743 1.00 0.00 N ATOM 328 CA VAL A 23 -14.584 -4.247 6.932 1.00 0.00 C ATOM 329 C VAL A 23 -13.254 -3.924 7.594 1.00 0.00 C ATOM 330 O VAL A 23 -13.130 -3.919 8.820 1.00 0.00 O ATOM 331 CB VAL A 23 -14.644 -5.752 6.592 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.550 -6.136 5.607 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.532 -6.570 7.859 1.00 0.00 C ATOM 0 H VAL A 23 -14.618 -3.935 4.867 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.398 -4.018 7.620 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.603 -5.961 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.617 -7.201 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.673 -5.566 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.575 -5.916 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.575 -7.631 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.585 -6.350 8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.355 -6.319 8.528 1.00 0.00 H new ATOM 343 N ALA A 24 -12.272 -3.624 6.761 1.00 0.00 N ATOM 344 CA ALA A 24 -10.932 -3.310 7.220 1.00 0.00 C ATOM 345 C ALA A 24 -10.857 -1.922 7.830 1.00 0.00 C ATOM 346 O ALA A 24 -9.796 -1.497 8.245 1.00 0.00 O ATOM 347 CB ALA A 24 -9.957 -3.391 6.079 1.00 0.00 C ATOM 0 H ALA A 24 -12.382 -3.592 5.748 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.676 -4.042 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.956 -3.153 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.964 -4.399 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.243 -2.679 5.305 1.00 0.00 H new ATOM 353 N ASN A 25 -11.987 -1.216 7.820 1.00 0.00 N ATOM 354 CA ASN A 25 -12.124 0.118 8.401 1.00 0.00 C ATOM 355 C ASN A 25 -11.343 1.188 7.627 1.00 0.00 C ATOM 356 O ASN A 25 -11.267 2.343 8.047 1.00 0.00 O ATOM 357 CB ASN A 25 -11.778 0.102 9.907 1.00 0.00 C ATOM 358 CG ASN A 25 -10.326 0.426 10.283 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.540 -0.469 10.582 1.00 0.00 O ATOM 360 ND2 ASN A 25 -9.967 1.700 10.301 1.00 0.00 N ATOM 0 H ASN A 25 -12.849 -1.562 7.400 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.172 0.404 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.428 0.816 10.413 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.020 -0.885 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.017 1.958 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.640 2.423 10.048 1.00 0.00 H new ATOM 367 N LEU A 26 -10.831 0.828 6.457 1.00 0.00 N ATOM 368 CA LEU A 26 -10.076 1.775 5.643 1.00 0.00 C ATOM 369 C LEU A 26 -10.958 2.546 4.682 1.00 0.00 C ATOM 370 O LEU A 26 -10.452 3.298 3.849 1.00 0.00 O ATOM 371 CB LEU A 26 -8.959 1.091 4.868 1.00 0.00 C ATOM 372 CG LEU A 26 -7.624 0.999 5.610 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.712 0.012 6.750 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.509 0.624 4.659 1.00 0.00 C ATOM 0 H LEU A 26 -10.923 -0.104 6.052 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.637 2.483 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.282 0.084 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.802 1.629 3.933 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.398 1.980 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.752 -0.037 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.482 0.334 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.966 -0.973 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.568 0.564 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.727 -0.343 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.427 1.380 3.879 1.00 0.00 H new ATOM 386 N VAL A 27 -12.266 2.368 4.797 1.00 0.00 N ATOM 387 CA VAL A 27 -13.202 3.111 3.963 1.00 0.00 C ATOM 388 C VAL A 27 -12.992 4.601 4.165 1.00 0.00 C ATOM 389 O VAL A 27 -13.070 5.382 3.230 1.00 0.00 O ATOM 390 CB VAL A 27 -14.667 2.719 4.271 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.511 3.911 4.714 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.292 2.040 3.061 1.00 0.00 C ATOM 0 H VAL A 27 -12.702 1.721 5.454 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.010 2.859 2.920 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.647 2.020 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.530 3.580 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.083 4.344 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.524 4.661 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.323 1.768 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.276 2.723 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.726 1.142 2.815 1.00 0.00 H new ATOM 402 N GLU A 28 -12.706 4.967 5.399 1.00 0.00 N ATOM 403 CA GLU A 28 -12.431 6.353 5.750 1.00 0.00 C ATOM 404 C GLU A 28 -10.961 6.727 5.530 1.00 0.00 C ATOM 405 O GLU A 28 -10.619 7.905 5.460 1.00 0.00 O ATOM 406 CB GLU A 28 -12.844 6.614 7.193 1.00 0.00 C ATOM 407 CG GLU A 28 -12.439 5.511 8.153 1.00 0.00 C ATOM 408 CD GLU A 28 -12.846 5.810 9.577 1.00 0.00 C ATOM 409 OE1 GLU A 28 -12.088 6.508 10.284 1.00 0.00 O ATOM 410 OE2 GLU A 28 -13.928 5.356 9.996 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.657 4.319 6.185 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.020 6.986 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.400 7.553 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.926 6.741 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.894 4.572 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.359 5.372 8.108 1.00 0.00 H new ATOM 417 N ALA A 29 -10.095 5.725 5.421 1.00 0.00 N ATOM 418 CA ALA A 29 -8.666 5.961 5.286 1.00 0.00 C ATOM 419 C ALA A 29 -8.278 6.337 3.854 1.00 0.00 C ATOM 420 O ALA A 29 -7.695 7.397 3.620 1.00 0.00 O ATOM 421 CB ALA A 29 -7.882 4.741 5.743 1.00 0.00 C ATOM 0 H ALA A 29 -10.361 4.740 5.424 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.415 6.808 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.814 4.933 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.110 4.533 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.159 3.881 5.133 1.00 0.00 H new ATOM 427 N LEU A 30 -8.588 5.444 2.911 1.00 0.00 N ATOM 428 CA LEU A 30 -8.335 5.662 1.471 1.00 0.00 C ATOM 429 C LEU A 30 -8.896 6.996 0.948 1.00 0.00 C ATOM 430 O LEU A 30 -8.573 7.419 -0.161 1.00 0.00 O ATOM 431 CB LEU A 30 -8.965 4.546 0.648 1.00 0.00 C ATOM 432 CG LEU A 30 -8.790 3.136 1.191 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.404 2.145 0.232 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.331 2.802 1.432 1.00 0.00 C ATOM 0 H LEU A 30 -9.023 4.545 3.118 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.250 5.677 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.032 4.748 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.545 4.582 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.299 3.078 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.278 1.135 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.466 2.360 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.912 2.224 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.249 1.787 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.781 2.878 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.912 3.501 2.156 1.00 0.00 H new ATOM 446 N GLN A 31 -9.747 7.635 1.746 1.00 0.00 N ATOM 447 CA GLN A 31 -10.460 8.862 1.357 1.00 0.00 C ATOM 448 C GLN A 31 -9.526 10.048 1.161 1.00 0.00 C ATOM 449 O GLN A 31 -9.978 11.133 0.798 1.00 0.00 O ATOM 450 CB GLN A 31 -11.488 9.219 2.425 1.00 0.00 C ATOM 451 CG GLN A 31 -12.513 8.134 2.633 1.00 0.00 C ATOM 452 CD GLN A 31 -13.668 8.204 1.673 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.095 7.050 1.208 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.125 9.281 1.297 1.00 0.00 N flip ATOM 0 H GLN A 31 -9.967 7.318 2.690 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.944 8.657 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.975 9.413 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.994 10.142 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.027 7.163 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.894 8.197 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.763 10.152 1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.866 9.304 0.597 1.00 0.00 H new ATOM 463 N SER A 32 -8.245 9.842 1.416 1.00 0.00 N ATOM 464 CA SER A 32 -7.244 10.894 1.293 1.00 0.00 C ATOM 465 C SER A 32 -7.261 11.547 -0.092 1.00 0.00 C ATOM 466 O SER A 32 -6.891 10.920 -1.090 1.00 0.00 O ATOM 467 CB SER A 32 -5.864 10.311 1.578 1.00 0.00 C ATOM 468 OG SER A 32 -5.700 9.060 0.927 1.00 0.00 O ATOM 0 H SER A 32 -7.867 8.943 1.714 1.00 0.00 H new ATOM 0 HA SER A 32 -7.481 11.671 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.094 11.005 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.732 10.187 2.653 1.00 0.00 H new ATOM 0 HG SER A 32 -6.016 9.129 0.002 1.00 0.00 H new ATOM 474 N PRO A 33 -7.705 12.816 -0.168 1.00 0.00 N ATOM 475 CA PRO A 33 -7.719 13.575 -1.419 1.00 0.00 C ATOM 476 C PRO A 33 -6.347 14.151 -1.748 1.00 0.00 C ATOM 477 O PRO A 33 -6.073 14.530 -2.890 1.00 0.00 O ATOM 478 CB PRO A 33 -8.715 14.697 -1.135 1.00 0.00 C ATOM 479 CG PRO A 33 -8.633 14.924 0.337 1.00 0.00 C ATOM 480 CD PRO A 33 -8.240 13.607 0.960 1.00 0.00 C ATOM 0 HA PRO A 33 -7.987 12.958 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.460 15.601 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.724 14.414 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.899 15.696 0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.590 15.267 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.492 13.744 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.096 13.114 1.421 1.00 0.00 H new ATOM 488 N GLY A 34 -5.493 14.211 -0.731 1.00 0.00 N ATOM 489 CA GLY A 34 -4.154 14.732 -0.904 1.00 0.00 C ATOM 490 C GLY A 34 -3.237 13.742 -1.594 1.00 0.00 C ATOM 491 O GLY A 34 -3.616 13.137 -2.597 1.00 0.00 O ATOM 0 H GLY A 34 -5.710 13.904 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.197 15.652 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.739 14.991 0.070 1.00 0.00 H new ATOM 495 N PRO A 35 -2.022 13.536 -1.076 1.00 0.00 N ATOM 496 CA PRO A 35 -1.048 12.673 -1.718 1.00 0.00 C ATOM 497 C PRO A 35 -1.277 11.188 -1.436 1.00 0.00 C ATOM 498 O PRO A 35 -1.905 10.814 -0.444 1.00 0.00 O ATOM 499 CB PRO A 35 0.276 13.145 -1.145 1.00 0.00 C ATOM 500 CG PRO A 35 -0.037 13.779 0.167 1.00 0.00 C ATOM 501 CD PRO A 35 -1.506 14.126 0.170 1.00 0.00 C ATOM 0 HA PRO A 35 -1.103 12.744 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.965 12.310 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.758 13.857 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.197 13.099 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.568 14.674 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.010 13.714 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.660 15.205 0.193 1.00 0.00 H new ATOM 509 N PHE A 36 -0.723 10.353 -2.304 1.00 0.00 N ATOM 510 CA PHE A 36 -1.022 8.930 -2.328 1.00 0.00 C ATOM 511 C PHE A 36 0.251 8.148 -2.658 1.00 0.00 C ATOM 512 O PHE A 36 0.904 8.391 -3.668 1.00 0.00 O ATOM 513 CB PHE A 36 -2.194 8.730 -3.328 1.00 0.00 C ATOM 514 CG PHE A 36 -2.142 7.602 -4.337 1.00 0.00 C ATOM 515 CD1 PHE A 36 -1.177 7.553 -5.331 1.00 0.00 C ATOM 516 CD2 PHE A 36 -3.120 6.621 -4.321 1.00 0.00 C ATOM 517 CE1 PHE A 36 -1.178 6.540 -6.271 1.00 0.00 C ATOM 518 CE2 PHE A 36 -3.131 5.612 -5.263 1.00 0.00 C ATOM 519 CZ PHE A 36 -2.159 5.571 -6.238 1.00 0.00 C ATOM 0 H PHE A 36 -0.051 10.646 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.346 8.542 -1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.103 8.598 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.307 9.660 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.414 8.317 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.886 6.646 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.411 6.507 -7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.901 4.855 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.165 4.782 -6.975 1.00 0.00 H new ATOM 529 N THR A 37 0.624 7.251 -1.768 1.00 0.00 N ATOM 530 CA THR A 37 1.891 6.549 -1.862 1.00 0.00 C ATOM 531 C THR A 37 1.690 5.042 -1.999 1.00 0.00 C ATOM 532 O THR A 37 1.066 4.409 -1.156 1.00 0.00 O ATOM 533 CB THR A 37 2.758 6.860 -0.626 1.00 0.00 C ATOM 534 OG1 THR A 37 3.115 8.247 -0.637 1.00 0.00 O ATOM 535 CG2 THR A 37 4.015 6.019 -0.615 1.00 0.00 C ATOM 0 H THR A 37 0.060 6.987 -0.960 1.00 0.00 H new ATOM 0 HA THR A 37 2.402 6.898 -2.760 1.00 0.00 H new ATOM 0 HB THR A 37 2.181 6.625 0.268 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.711 8.695 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.606 6.260 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.746 4.963 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.600 6.227 -1.511 1.00 0.00 H new ATOM 543 N VAL A 38 2.234 4.470 -3.060 1.00 0.00 N ATOM 544 CA VAL A 38 2.016 3.063 -3.364 1.00 0.00 C ATOM 545 C VAL A 38 3.318 2.270 -3.331 1.00 0.00 C ATOM 546 O VAL A 38 4.384 2.772 -3.698 1.00 0.00 O ATOM 547 CB VAL A 38 1.346 2.891 -4.748 1.00 0.00 C ATOM 548 CG1 VAL A 38 1.229 1.425 -5.140 1.00 0.00 C ATOM 549 CG2 VAL A 38 -0.022 3.541 -4.756 1.00 0.00 C ATOM 0 H VAL A 38 2.831 4.958 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 38 1.353 2.673 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 38 1.983 3.383 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.753 1.347 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.223 0.979 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.627 0.898 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.481 3.412 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.651 3.075 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.079 4.605 -4.540 1.00 0.00 H new ATOM 559 N PHE A 39 3.223 1.041 -2.853 1.00 0.00 N ATOM 560 CA PHE A 39 4.304 0.081 -2.971 1.00 0.00 C ATOM 561 C PHE A 39 3.921 -0.944 -4.034 1.00 0.00 C ATOM 562 O PHE A 39 3.019 -1.755 -3.825 1.00 0.00 O ATOM 563 CB PHE A 39 4.576 -0.600 -1.624 1.00 0.00 C ATOM 564 CG PHE A 39 5.007 0.350 -0.543 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.336 0.725 -0.425 1.00 0.00 C ATOM 566 CD2 PHE A 39 4.086 0.867 0.355 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.739 1.598 0.568 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.484 1.742 1.349 1.00 0.00 C ATOM 569 CZ PHE A 39 5.811 2.107 1.456 1.00 0.00 C ATOM 0 H PHE A 39 2.397 0.683 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 39 5.222 0.590 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.674 -1.119 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.348 -1.357 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.065 0.330 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.047 0.583 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.778 1.882 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.757 2.140 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.123 2.789 2.233 1.00 0.00 H new ATOM 579 N ALA A 40 4.595 -0.887 -5.174 1.00 0.00 N ATOM 580 CA ALA A 40 4.204 -1.670 -6.340 1.00 0.00 C ATOM 581 C ALA A 40 5.011 -2.958 -6.443 1.00 0.00 C ATOM 582 O ALA A 40 6.233 -2.926 -6.534 1.00 0.00 O ATOM 583 CB ALA A 40 4.369 -0.842 -7.605 1.00 0.00 C ATOM 0 H ALA A 40 5.419 -0.304 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 40 3.155 -1.943 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.074 -1.436 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.740 0.046 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.411 -0.541 -7.710 1.00 0.00 H new ATOM 589 N PRO A 41 4.335 -4.107 -6.424 1.00 0.00 N ATOM 590 CA PRO A 41 4.991 -5.411 -6.527 1.00 0.00 C ATOM 591 C PRO A 41 5.413 -5.748 -7.959 1.00 0.00 C ATOM 592 O PRO A 41 4.657 -5.527 -8.904 1.00 0.00 O ATOM 593 CB PRO A 41 3.904 -6.372 -6.051 1.00 0.00 C ATOM 594 CG PRO A 41 2.621 -5.707 -6.403 1.00 0.00 C ATOM 595 CD PRO A 41 2.870 -4.228 -6.286 1.00 0.00 C ATOM 0 HA PRO A 41 5.914 -5.454 -5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.993 -7.342 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.976 -6.549 -4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.310 -5.971 -7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.822 -6.022 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.347 -3.671 -7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.525 -3.838 -5.328 1.00 0.00 H new ATOM 603 N ASN A 42 6.626 -6.279 -8.118 1.00 0.00 N ATOM 604 CA ASN A 42 7.087 -6.717 -9.436 1.00 0.00 C ATOM 605 C ASN A 42 6.626 -8.141 -9.704 1.00 0.00 C ATOM 606 O ASN A 42 5.886 -8.713 -8.905 1.00 0.00 O ATOM 607 CB ASN A 42 8.621 -6.620 -9.580 1.00 0.00 C ATOM 608 CG ASN A 42 9.386 -7.809 -9.056 1.00 0.00 C ATOM 609 OD1 ASN A 42 9.655 -8.764 -9.780 1.00 0.00 O ATOM 610 ND2 ASN A 42 9.772 -7.743 -7.811 1.00 0.00 N ATOM 0 H ASN A 42 7.298 -6.415 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 42 6.648 -6.045 -10.174 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.864 -6.486 -10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.964 -5.727 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.318 -8.503 -7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.527 -6.932 -7.244 1.00 0.00 H new ATOM 617 N ASP A 43 7.078 -8.713 -10.806 1.00 0.00 N ATOM 618 CA ASP A 43 6.690 -10.070 -11.191 1.00 0.00 C ATOM 619 C ASP A 43 7.002 -11.094 -10.102 1.00 0.00 C ATOM 620 O ASP A 43 6.276 -12.077 -9.945 1.00 0.00 O ATOM 621 CB ASP A 43 7.381 -10.482 -12.490 1.00 0.00 C ATOM 622 CG ASP A 43 6.772 -9.818 -13.706 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.171 -8.680 -14.032 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.885 -10.427 -14.335 1.00 0.00 O1- ATOM 0 H ASP A 43 7.719 -8.260 -11.458 1.00 0.00 H new ATOM 0 HA ASP A 43 5.610 -10.055 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.439 -10.226 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.320 -11.564 -12.603 1.00 0.00 H new ATOM 629 N ASP A 44 8.055 -10.858 -9.323 1.00 0.00 N ATOM 630 CA ASP A 44 8.476 -11.831 -8.325 1.00 0.00 C ATOM 631 C ASP A 44 7.720 -11.581 -7.042 1.00 0.00 C ATOM 632 O ASP A 44 7.563 -12.465 -6.208 1.00 0.00 O ATOM 633 CB ASP A 44 9.976 -11.760 -8.077 1.00 0.00 C ATOM 634 CG ASP A 44 10.486 -12.950 -7.281 1.00 0.00 C ATOM 635 OD1 ASP A 44 10.635 -14.046 -7.867 1.00 0.00 O ATOM 636 OD2 ASP A 44 10.744 -12.806 -6.070 1.00 0.00 O1- ATOM 0 H ASP A 44 8.624 -10.013 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 44 8.254 -12.831 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.498 -11.714 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.210 -10.840 -7.541 1.00 0.00 H new ATOM 641 N ALA A 45 7.222 -10.365 -6.912 1.00 0.00 N ATOM 642 CA ALA A 45 6.387 -10.002 -5.792 1.00 0.00 C ATOM 643 C ALA A 45 4.978 -10.522 -6.034 1.00 0.00 C ATOM 644 O ALA A 45 4.299 -10.979 -5.121 1.00 0.00 O ATOM 645 CB ALA A 45 6.397 -8.506 -5.599 1.00 0.00 C ATOM 0 H ALA A 45 7.386 -9.609 -7.577 1.00 0.00 H new ATOM 0 HA ALA A 45 6.773 -10.453 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.764 -8.244 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.416 -8.171 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.018 -8.021 -6.498 1.00 0.00 H new ATOM 769 N ILE A 54 1.643 -10.105 2.708 1.00 0.00 N ATOM 770 CA ILE A 54 0.336 -9.488 2.735 1.00 0.00 C ATOM 771 C ILE A 54 -0.732 -10.464 3.192 1.00 0.00 C ATOM 772 O ILE A 54 -1.761 -10.068 3.726 1.00 0.00 O ATOM 773 CB ILE A 54 -0.007 -8.854 1.379 1.00 0.00 C ATOM 774 CG1 ILE A 54 0.114 -7.341 1.532 1.00 0.00 C ATOM 775 CG2 ILE A 54 -1.396 -9.241 0.877 1.00 0.00 C ATOM 776 CD1 ILE A 54 1.514 -6.862 1.836 1.00 0.00 C ATOM 0 HA ILE A 54 0.364 -8.684 3.470 1.00 0.00 H new ATOM 0 HB ILE A 54 0.689 -9.227 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.230 -6.865 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.552 -7.013 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.582 -8.763 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.452 -10.323 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.147 -8.913 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.515 -5.776 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.856 -7.307 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.183 -7.157 1.028 1.00 0.00 H new ATOM 788 N THR A 55 -0.461 -11.736 3.002 1.00 0.00 N ATOM 789 CA THR A 55 -1.342 -12.779 3.501 1.00 0.00 C ATOM 790 C THR A 55 -1.493 -12.719 5.022 1.00 0.00 C ATOM 791 O THR A 55 -2.578 -12.884 5.537 1.00 0.00 O ATOM 792 CB THR A 55 -0.852 -14.172 3.106 1.00 0.00 C ATOM 793 OG1 THR A 55 -0.760 -14.278 1.677 1.00 0.00 O ATOM 794 CG2 THR A 55 -1.792 -15.234 3.658 1.00 0.00 C ATOM 0 H THR A 55 0.362 -12.078 2.506 1.00 0.00 H new ATOM 0 HA THR A 55 -2.313 -12.598 3.040 1.00 0.00 H new ATOM 0 HB THR A 55 0.139 -14.330 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.444 -15.173 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.433 -16.222 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.824 -15.162 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.793 -15.080 3.254 1.00 0.00 H new ATOM 802 N SER A 56 -0.415 -12.466 5.735 1.00 0.00 N ATOM 803 CA SER A 56 -0.470 -12.374 7.183 1.00 0.00 C ATOM 804 C SER A 56 -1.045 -11.023 7.564 1.00 0.00 C ATOM 805 O SER A 56 -1.809 -10.880 8.521 1.00 0.00 O ATOM 806 CB SER A 56 0.932 -12.566 7.770 1.00 0.00 C ATOM 807 OG SER A 56 0.921 -12.512 9.185 1.00 0.00 O ATOM 0 H SER A 56 0.512 -12.320 5.336 1.00 0.00 H new ATOM 0 HA SER A 56 -1.111 -13.157 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.333 -13.526 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.597 -11.795 7.382 1.00 0.00 H new ATOM 0 HG SER A 56 1.831 -12.640 9.524 1.00 0.00 H new ATOM 813 N LEU A 57 -0.702 -10.059 6.741 1.00 0.00 N ATOM 814 CA LEU A 57 -1.179 -8.690 6.858 1.00 0.00 C ATOM 815 C LEU A 57 -2.677 -8.598 6.591 1.00 0.00 C ATOM 816 O LEU A 57 -3.314 -7.591 6.897 1.00 0.00 O ATOM 817 CB LEU A 57 -0.443 -7.781 5.902 1.00 0.00 C ATOM 818 CG LEU A 57 0.899 -7.225 6.385 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.872 -8.339 6.731 1.00 0.00 C ATOM 820 CD2 LEU A 57 1.495 -6.310 5.323 1.00 0.00 C ATOM 0 H LEU A 57 -0.070 -10.202 5.953 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.986 -8.368 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.272 -8.328 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.094 -6.940 5.661 1.00 0.00 H new ATOM 0 HG LEU A 57 0.719 -6.651 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.814 -7.907 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.450 -8.957 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.051 -8.953 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.450 -5.918 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.650 -6.873 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.812 -5.482 5.131 1.00 0.00 H new ATOM 832 N VAL A 58 -3.222 -9.608 5.932 1.00 0.00 N ATOM 833 CA VAL A 58 -4.627 -9.605 5.590 1.00 0.00 C ATOM 834 C VAL A 58 -5.437 -10.334 6.653 1.00 0.00 C ATOM 835 O VAL A 58 -6.642 -10.113 6.785 1.00 0.00 O ATOM 836 CB VAL A 58 -4.880 -10.252 4.205 1.00 0.00 C ATOM 837 CG1 VAL A 58 -4.856 -11.772 4.282 1.00 0.00 C ATOM 838 CG2 VAL A 58 -6.192 -9.766 3.623 1.00 0.00 C ATOM 0 H VAL A 58 -2.711 -10.436 5.626 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.947 -8.564 5.543 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.070 -9.945 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.037 -12.189 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.882 -12.103 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.632 -12.114 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.353 -10.231 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.009 -10.034 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.159 -8.683 3.506 1.00 0.00 H new ATOM 848 N GLN A 59 -4.772 -11.189 7.429 1.00 0.00 N ATOM 849 CA GLN A 59 -5.469 -12.035 8.367 1.00 0.00 C ATOM 850 C GLN A 59 -6.018 -11.262 9.527 1.00 0.00 C ATOM 851 O GLN A 59 -7.184 -11.426 9.880 1.00 0.00 O ATOM 852 CB GLN A 59 -4.544 -13.127 8.856 1.00 0.00 C ATOM 853 CG GLN A 59 -3.945 -13.896 7.712 1.00 0.00 C ATOM 854 CD GLN A 59 -4.729 -15.139 7.353 1.00 0.00 C ATOM 855 OE1 GLN A 59 -5.367 -15.756 8.204 1.00 0.00 O ATOM 856 NE2 GLN A 59 -4.689 -15.509 6.086 1.00 0.00 N ATOM 0 H GLN A 59 -3.759 -11.306 7.419 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.318 -12.478 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.748 -12.688 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.095 -13.808 9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.886 -13.247 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.924 -14.180 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.146 -14.967 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.201 -16.337 5.780 1.00 0.00 H new ATOM 865 N ASN A 60 -5.212 -10.413 10.121 1.00 0.00 N ATOM 866 CA ASN A 60 -5.702 -9.712 11.274 1.00 0.00 C ATOM 867 C ASN A 60 -5.183 -8.277 11.529 1.00 0.00 C ATOM 868 O ASN A 60 -5.448 -7.741 12.602 1.00 0.00 O ATOM 869 CB ASN A 60 -5.322 -10.556 12.468 1.00 0.00 C ATOM 870 CG ASN A 60 -6.510 -11.132 13.197 1.00 0.00 C ATOM 871 OD1 ASN A 60 -7.090 -10.503 14.081 1.00 0.00 O ATOM 872 ND2 ASN A 60 -6.864 -12.350 12.832 1.00 0.00 N ATOM 0 H ASN A 60 -4.256 -10.200 9.838 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.769 -9.575 11.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.678 -11.371 12.137 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.739 -9.950 13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.651 -12.811 13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.351 -12.830 12.093 1.00 0.00 H new ATOM 879 N PRO A 61 -4.464 -7.610 10.613 1.00 0.00 N ATOM 880 CA PRO A 61 -4.388 -6.147 10.608 1.00 0.00 C ATOM 881 C PRO A 61 -5.436 -5.517 9.692 1.00 0.00 C ATOM 882 O PRO A 61 -5.875 -6.129 8.714 1.00 0.00 O ATOM 883 CB PRO A 61 -2.979 -5.856 10.075 1.00 0.00 C ATOM 884 CG PRO A 61 -2.351 -7.190 9.853 1.00 0.00 C ATOM 885 CD PRO A 61 -3.489 -8.161 9.690 1.00 0.00 C ATOM 0 HA PRO A 61 -4.577 -5.731 11.598 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.021 -5.283 9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.404 -5.266 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.716 -7.180 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.718 -7.468 10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.862 -8.190 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.202 -9.179 9.954 1.00 0.00 H new ATOM 893 N PRO A 62 -5.851 -4.277 10.003 1.00 0.00 N ATOM 894 CA PRO A 62 -6.773 -3.498 9.161 1.00 0.00 C ATOM 895 C PRO A 62 -6.185 -3.165 7.791 1.00 0.00 C ATOM 896 O PRO A 62 -6.912 -2.822 6.861 1.00 0.00 O ATOM 897 CB PRO A 62 -6.990 -2.212 9.954 1.00 0.00 C ATOM 898 CG PRO A 62 -6.613 -2.560 11.346 1.00 0.00 C ATOM 899 CD PRO A 62 -5.489 -3.541 11.222 1.00 0.00 C ATOM 0 HA PRO A 62 -7.687 -4.056 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.374 -1.400 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.027 -1.881 9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.302 -1.675 11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.456 -2.994 11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.524 -3.044 11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.424 -4.198 12.090 1.00 0.00 H new ATOM 907 N GLN A 63 -4.862 -3.288 7.680 1.00 0.00 N ATOM 908 CA GLN A 63 -4.110 -2.900 6.484 1.00 0.00 C ATOM 909 C GLN A 63 -4.667 -3.486 5.186 1.00 0.00 C ATOM 910 O GLN A 63 -4.371 -2.977 4.102 1.00 0.00 O ATOM 911 CB GLN A 63 -2.648 -3.271 6.647 1.00 0.00 C ATOM 912 CG GLN A 63 -1.808 -2.755 5.500 1.00 0.00 C ATOM 913 CD GLN A 63 -0.863 -3.763 4.964 1.00 0.00 C ATOM 914 OE1 GLN A 63 0.250 -3.441 4.555 1.00 0.00 O ATOM 915 NE2 GLN A 63 -1.334 -4.974 4.869 1.00 0.00 N ATOM 0 H GLN A 63 -4.275 -3.664 8.425 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.214 -1.819 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.272 -2.864 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.552 -4.355 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.467 -2.422 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.246 -1.883 5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.265 -5.188 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.771 -5.708 4.439 1.00 0.00 H new ATOM 924 N LEU A 64 -5.474 -4.531 5.298 1.00 0.00 N ATOM 925 CA LEU A 64 -6.147 -5.127 4.155 1.00 0.00 C ATOM 926 C LEU A 64 -6.766 -4.067 3.248 1.00 0.00 C ATOM 927 O LEU A 64 -6.586 -4.095 2.032 1.00 0.00 O ATOM 928 CB LEU A 64 -7.239 -6.064 4.649 1.00 0.00 C ATOM 929 CG LEU A 64 -8.396 -6.255 3.675 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.008 -7.196 2.547 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.639 -6.753 4.386 1.00 0.00 C ATOM 0 H LEU A 64 -5.680 -4.990 6.185 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.405 -5.676 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.796 -7.037 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.632 -5.679 5.590 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.626 -5.281 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.851 -7.315 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.159 -6.782 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.736 -8.167 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.446 -6.879 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.427 -7.710 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.940 -6.029 5.143 1.00 0.00 H new ATOM 943 N GLY A 65 -7.472 -3.134 3.869 1.00 0.00 N ATOM 944 CA GLY A 65 -8.190 -2.091 3.144 1.00 0.00 C ATOM 945 C GLY A 65 -7.356 -1.363 2.106 1.00 0.00 C ATOM 946 O GLY A 65 -7.863 -0.955 1.061 1.00 0.00 O ATOM 0 H GLY A 65 -7.565 -3.076 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.054 -2.537 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.572 -1.364 3.861 1.00 0.00 H new ATOM 950 N ARG A 66 -6.077 -1.211 2.392 1.00 0.00 N ATOM 951 CA ARG A 66 -5.168 -0.498 1.521 1.00 0.00 C ATOM 952 C ARG A 66 -4.861 -1.337 0.296 1.00 0.00 C ATOM 953 O ARG A 66 -4.738 -0.840 -0.825 1.00 0.00 O ATOM 954 CB ARG A 66 -3.895 -0.209 2.295 1.00 0.00 C ATOM 955 CG ARG A 66 -2.647 -0.729 1.616 1.00 0.00 C ATOM 956 CD ARG A 66 -1.563 -0.943 2.625 1.00 0.00 C ATOM 957 NE ARG A 66 -0.592 0.156 2.608 1.00 0.00 N ATOM 958 CZ ARG A 66 0.597 0.138 3.218 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.997 -0.931 3.897 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.391 1.200 3.143 1.00 0.00 N ATOM 0 H ARG A 66 -5.640 -1.580 3.237 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.619 0.437 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.801 0.868 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.973 -0.655 3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.866 -1.665 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.314 -0.020 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.001 -1.028 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.053 -1.884 2.420 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.843 0.999 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.394 -1.752 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.907 -0.931 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.092 2.024 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.299 1.191 3.607 1.00 0.00 H new ATOM 974 N ILE A 67 -4.775 -2.623 0.552 1.00 0.00 N ATOM 975 CA ILE A 67 -4.276 -3.595 -0.383 1.00 0.00 C ATOM 976 C ILE A 67 -5.216 -3.801 -1.555 1.00 0.00 C ATOM 977 O ILE A 67 -4.779 -3.853 -2.703 1.00 0.00 O ATOM 978 CB ILE A 67 -4.083 -4.911 0.369 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.262 -4.632 1.634 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.446 -5.953 -0.529 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.023 -5.844 2.497 1.00 0.00 C ATOM 0 H ILE A 67 -5.060 -3.029 1.443 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.334 -3.235 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.046 -5.324 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.299 -4.212 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.775 -3.874 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.318 -6.882 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.088 -6.131 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.474 -5.596 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.435 -5.559 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.979 -6.254 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.481 -6.597 1.925 1.00 0.00 H new ATOM 993 N LEU A 68 -6.500 -3.916 -1.251 1.00 0.00 N ATOM 994 CA LEU A 68 -7.509 -4.199 -2.264 1.00 0.00 C ATOM 995 C LEU A 68 -7.401 -3.272 -3.470 1.00 0.00 C ATOM 996 O LEU A 68 -7.322 -3.731 -4.607 1.00 0.00 O ATOM 997 CB LEU A 68 -8.934 -4.080 -1.704 1.00 0.00 C ATOM 998 CG LEU A 68 -9.389 -5.163 -0.731 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.609 -6.444 -0.949 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.274 -4.676 0.707 1.00 0.00 C ATOM 0 H LEU A 68 -6.871 -3.817 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.317 -5.225 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.021 -3.116 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.628 -4.066 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.439 -5.381 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.950 -7.202 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.768 -6.798 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.547 -6.255 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.603 -5.463 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.236 -4.422 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.900 -3.794 0.844 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.404 -1.967 -3.222 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.523 -1.005 -4.309 1.00 0.00 C ATOM 1014 C LYS A 69 -6.176 -0.637 -4.928 1.00 0.00 C ATOM 1015 O LYS A 69 -5.940 -0.909 -6.105 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.218 0.264 -3.804 1.00 0.00 C ATOM 1017 CG LYS A 69 -9.667 0.054 -3.379 1.00 0.00 C ATOM 1018 CD LYS A 69 -10.653 0.462 -4.470 1.00 0.00 C ATOM 1019 CE LYS A 69 -10.543 -0.414 -5.709 1.00 0.00 C ATOM 1020 NZ LYS A 69 -11.457 0.039 -6.792 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.327 -1.556 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.117 -1.481 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.657 0.661 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.187 1.019 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.821 -0.995 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.867 0.632 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.668 0.406 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.475 1.501 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.515 -0.401 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.775 -1.446 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.352 -0.584 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.440 0.003 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.219 1.015 -7.061 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.288 -0.030 -4.148 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.049 0.503 -4.712 1.00 0.00 C ATOM 1036 C TYR A 70 -2.789 -0.034 -4.044 1.00 0.00 C ATOM 1037 O TYR A 70 -1.693 0.154 -4.570 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.033 2.030 -4.639 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.113 2.705 -5.450 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.058 2.723 -6.837 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.179 3.339 -4.826 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.036 3.356 -7.578 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.160 3.970 -5.562 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.085 3.975 -6.936 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.059 4.613 -7.671 1.00 0.00 O ATOM 0 H TYR A 70 -5.397 0.105 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.037 0.168 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.135 2.333 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.062 2.388 -4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.239 2.235 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.241 3.338 -3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.978 3.366 -8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.984 4.458 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.943 4.312 -7.373 1.00 0.00 H new ATOM 1055 N HIS A 71 -2.938 -0.681 -2.883 1.00 0.00 N ATOM 1056 CA HIS A 71 -1.784 -1.050 -2.053 1.00 0.00 C ATOM 1057 C HIS A 71 -1.107 0.246 -1.585 1.00 0.00 C ATOM 1058 O HIS A 71 0.119 0.353 -1.532 1.00 0.00 O ATOM 1059 CB HIS A 71 -0.811 -1.940 -2.855 1.00 0.00 C ATOM 1060 CG HIS A 71 0.118 -2.781 -2.031 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -0.049 -4.138 -1.873 1.00 0.00 N ATOM 1062 CD2 HIS A 71 1.252 -2.468 -1.358 1.00 0.00 C ATOM 1063 CE1 HIS A 71 0.934 -4.621 -1.140 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.744 -3.631 -0.813 1.00 0.00 N ATOM 0 H HIS A 71 -3.841 -0.959 -2.498 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.102 -1.627 -1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.394 -2.598 -3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.215 -1.302 -3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.689 -1.485 -1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.057 -5.655 -0.854 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.591 -3.715 -0.251 1.00 0.00 H new ATOM 1073 N VAL A 72 -1.944 1.216 -1.217 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.522 2.600 -1.045 1.00 0.00 C ATOM 1075 C VAL A 72 -1.519 3.043 0.421 1.00 0.00 C ATOM 1076 O VAL A 72 -2.125 2.415 1.290 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.456 3.542 -1.853 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.876 3.483 -1.314 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.948 4.978 -1.852 1.00 0.00 C ATOM 0 H VAL A 72 -2.935 1.061 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.498 2.662 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.457 3.191 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.513 4.150 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.253 2.463 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.882 3.793 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.629 5.605 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.896 5.345 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.955 5.013 -2.301 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.777 4.105 0.667 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.834 4.860 1.899 1.00 0.00 C ATOM 1091 C VAL A 73 -0.812 6.356 1.577 1.00 0.00 C ATOM 1092 O VAL A 73 -0.052 6.800 0.725 1.00 0.00 O ATOM 1093 CB VAL A 73 0.334 4.524 2.848 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.667 4.504 2.111 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.383 5.537 3.964 1.00 0.00 C ATOM 0 H VAL A 73 -0.102 4.474 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.759 4.589 2.408 1.00 0.00 H new ATOM 0 HB VAL A 73 0.163 3.528 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.467 4.264 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.636 3.751 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.853 5.483 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.209 5.300 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.530 6.533 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.555 5.512 4.519 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.666 7.116 2.236 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.717 8.559 2.057 1.00 0.00 C ATOM 1107 C ALA A 74 -0.503 9.220 2.658 1.00 0.00 C ATOM 1108 O ALA A 74 -0.031 8.834 3.728 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.964 9.106 2.711 1.00 0.00 C ATOM 0 H ALA A 74 -2.342 6.755 2.908 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.734 8.773 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.001 10.187 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.843 8.653 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.948 8.873 3.776 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.016 10.225 1.967 1.00 0.00 N ATOM 1116 CA GLY A 75 1.158 10.918 2.416 1.00 0.00 C ATOM 1117 C GLY A 75 2.301 10.709 1.463 1.00 0.00 C ATOM 1118 O GLY A 75 2.940 9.670 1.475 1.00 0.00 O ATOM 0 H GLY A 75 -0.416 10.576 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.944 11.983 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.437 10.564 3.408 1.00 0.00 H new ATOM 1122 N ALA A 76 2.515 11.681 0.604 1.00 0.00 N ATOM 1123 CA ALA A 76 3.578 11.632 -0.390 1.00 0.00 C ATOM 1124 C ALA A 76 4.949 11.522 0.259 1.00 0.00 C ATOM 1125 O ALA A 76 5.486 12.495 0.786 1.00 0.00 O ATOM 1126 CB ALA A 76 3.521 12.863 -1.274 1.00 0.00 C ATOM 0 H ALA A 76 1.957 12.534 0.571 1.00 0.00 H new ATOM 0 HA ALA A 76 3.424 10.740 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.320 12.817 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.558 12.902 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.644 13.756 -0.662 1.00 0.00 H new ATOM 1132 N TYR A 77 5.502 10.327 0.228 1.00 0.00 N ATOM 1133 CA TYR A 77 6.848 10.100 0.741 1.00 0.00 C ATOM 1134 C TYR A 77 7.756 9.570 -0.365 1.00 0.00 C ATOM 1135 O TYR A 77 7.462 8.531 -0.961 1.00 0.00 O ATOM 1136 CB TYR A 77 6.867 9.072 1.879 1.00 0.00 C ATOM 1137 CG TYR A 77 5.684 9.067 2.829 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.427 10.135 3.680 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.852 7.954 2.903 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.371 10.094 4.572 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.789 7.909 3.785 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.554 8.981 4.620 1.00 0.00 C ATOM 1143 OH TYR A 77 2.508 8.937 5.515 1.00 0.00 O ATOM 0 H TYR A 77 5.045 9.495 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 77 7.200 11.062 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.949 8.079 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.771 9.235 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.061 11.009 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.041 7.108 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.185 10.930 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.147 7.041 3.820 1.00 0.00 H new ATOM 0 HH TYR A 77 1.660 8.887 5.025 1.00 0.00 H new ATOM 1153 N LYS A 78 8.868 10.251 -0.635 1.00 0.00 N ATOM 1154 CA LYS A 78 9.862 9.691 -1.531 1.00 0.00 C ATOM 1155 C LYS A 78 10.669 8.703 -0.739 1.00 0.00 C ATOM 1156 O LYS A 78 10.640 8.764 0.485 1.00 0.00 O ATOM 1157 CB LYS A 78 10.761 10.755 -2.164 1.00 0.00 C ATOM 1158 CG LYS A 78 10.012 11.647 -3.131 1.00 0.00 C ATOM 1159 CD LYS A 78 9.398 12.831 -2.424 1.00 0.00 C ATOM 1160 CE LYS A 78 7.956 12.991 -2.833 1.00 0.00 C ATOM 1161 NZ LYS A 78 7.311 14.160 -2.180 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.095 11.169 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 78 9.359 9.207 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.203 11.367 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.583 10.267 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.692 11.997 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.230 11.072 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.464 12.694 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.955 13.737 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.898 13.105 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.406 12.085 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.321 14.229 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.341 14.041 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.819 15.029 -2.444 1.00 0.00 H new ATOM 1175 N ALA A 79 11.374 7.799 -1.411 1.00 0.00 N ATOM 1176 CA ALA A 79 12.071 6.719 -0.721 1.00 0.00 C ATOM 1177 C ALA A 79 12.860 7.254 0.462 1.00 0.00 C ATOM 1178 O ALA A 79 12.827 6.680 1.539 1.00 0.00 O ATOM 1179 CB ALA A 79 12.994 5.969 -1.668 1.00 0.00 C ATOM 0 H ALA A 79 11.478 7.792 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 79 11.317 6.023 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.500 5.170 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.410 5.541 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.735 6.657 -2.075 1.00 0.00 H new ATOM 1185 N THR A 80 13.453 8.424 0.273 1.00 0.00 N ATOM 1186 CA THR A 80 14.382 8.999 1.247 1.00 0.00 C ATOM 1187 C THR A 80 13.643 9.473 2.491 1.00 0.00 C ATOM 1188 O THR A 80 14.212 9.517 3.579 1.00 0.00 O ATOM 1189 CB THR A 80 15.162 10.180 0.621 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.050 10.772 1.578 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.207 11.242 0.090 1.00 0.00 C ATOM 0 H THR A 80 13.308 9.003 -0.554 1.00 0.00 H new ATOM 0 HA THR A 80 15.087 8.219 1.536 1.00 0.00 H new ATOM 0 HB THR A 80 15.748 9.783 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.533 11.515 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.779 12.061 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.563 10.804 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.594 11.622 0.907 1.00 0.00 H new ATOM 1199 N ASP A 81 12.368 9.789 2.331 1.00 0.00 N ATOM 1200 CA ASP A 81 11.558 10.249 3.443 1.00 0.00 C ATOM 1201 C ASP A 81 11.258 9.066 4.343 1.00 0.00 C ATOM 1202 O ASP A 81 11.309 9.164 5.567 1.00 0.00 O ATOM 1203 CB ASP A 81 10.263 10.885 2.929 1.00 0.00 C ATOM 1204 CG ASP A 81 9.580 11.750 3.969 1.00 0.00 C ATOM 1205 OD1 ASP A 81 10.236 12.671 4.502 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.381 11.535 4.240 1.00 0.00 O1- ATOM 0 H ASP A 81 11.873 9.735 1.441 1.00 0.00 H new ATOM 0 HA ASP A 81 12.098 11.008 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.485 11.489 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.579 10.098 2.611 1.00 0.00 H new ATOM 1211 N LEU A 82 10.974 7.933 3.711 1.00 0.00 N ATOM 1212 CA LEU A 82 10.758 6.689 4.413 1.00 0.00 C ATOM 1213 C LEU A 82 11.991 6.233 5.183 1.00 0.00 C ATOM 1214 O LEU A 82 11.866 5.761 6.296 1.00 0.00 O ATOM 1215 CB LEU A 82 10.324 5.617 3.422 1.00 0.00 C ATOM 1216 CG LEU A 82 8.966 5.865 2.775 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.106 6.764 3.650 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.122 6.436 1.382 1.00 0.00 C ATOM 0 H LEU A 82 10.889 7.859 2.697 1.00 0.00 H new ATOM 0 HA LEU A 82 9.972 6.855 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.077 5.539 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.298 4.656 3.935 1.00 0.00 H new ATOM 0 HG LEU A 82 8.456 4.906 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.142 6.927 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.951 6.289 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.607 7.722 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.138 6.603 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.661 7.382 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.680 5.735 0.762 1.00 0.00 H new ATOM 1230 N LYS A 83 13.171 6.341 4.582 1.00 0.00 N ATOM 1231 CA LYS A 83 14.399 5.994 5.228 1.00 0.00 C ATOM 1232 C LYS A 83 14.789 7.014 6.283 1.00 0.00 C ATOM 1233 O LYS A 83 15.444 6.670 7.268 1.00 0.00 O ATOM 1234 CB LYS A 83 15.494 5.872 4.191 1.00 0.00 C ATOM 1235 CG LYS A 83 15.039 5.726 2.791 1.00 0.00 C ATOM 1236 CD LYS A 83 16.192 5.361 1.854 1.00 0.00 C ATOM 1237 CE LYS A 83 16.979 4.149 2.348 1.00 0.00 C ATOM 1238 NZ LYS A 83 18.008 3.707 1.369 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.286 6.676 3.625 1.00 0.00 H new ATOM 0 HA LYS A 83 14.259 5.039 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.131 6.754 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.114 5.012 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.269 4.956 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.581 6.658 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.797 5.154 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.864 6.214 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.462 4.393 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.291 3.327 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.686 3.075 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.548 3.200 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.511 4.537 0.995 1.00 0.00 H new ATOM 1252 N ARG A 84 14.408 8.266 6.066 1.00 0.00 N ATOM 1253 CA ARG A 84 14.567 9.290 7.074 1.00 0.00 C ATOM 1254 C ARG A 84 13.825 8.859 8.321 1.00 0.00 C ATOM 1255 O ARG A 84 14.274 9.067 9.446 1.00 0.00 O ATOM 1256 CB ARG A 84 14.011 10.600 6.556 1.00 0.00 C ATOM 1257 CG ARG A 84 15.004 11.735 6.657 1.00 0.00 C ATOM 1258 CD ARG A 84 14.912 12.651 5.457 1.00 0.00 C ATOM 1259 NE ARG A 84 15.906 13.722 5.511 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.990 14.714 4.624 1.00 0.00 C ATOM 1261 NH1 ARG A 84 15.134 14.791 3.614 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 16.932 15.638 4.754 1.00 0.00 N ATOM 0 H ARG A 84 13.986 8.591 5.196 1.00 0.00 H new ATOM 0 HA ARG A 84 15.622 9.430 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.711 10.477 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.113 10.857 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.818 12.305 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.014 11.332 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.053 12.070 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.913 13.085 5.407 1.00 0.00 H new ATOM 0 HE ARG A 84 16.579 13.709 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.403 14.087 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.207 15.554 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.591 15.589 5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.998 16.398 4.077 1.00 0.00 H new ATOM 1276 N MET A 85 12.680 8.244 8.086 1.00 0.00 N ATOM 1277 CA MET A 85 11.907 7.627 9.144 1.00 0.00 C ATOM 1278 C MET A 85 12.514 6.289 9.555 1.00 0.00 C ATOM 1279 O MET A 85 12.644 5.996 10.743 1.00 0.00 O ATOM 1280 CB MET A 85 10.463 7.397 8.702 1.00 0.00 C ATOM 1281 CG MET A 85 9.722 8.657 8.319 1.00 0.00 C ATOM 1282 SD MET A 85 8.041 8.325 7.755 1.00 0.00 S ATOM 1283 CE MET A 85 7.528 9.961 7.244 1.00 0.00 C ATOM 0 H MET A 85 12.263 8.159 7.159 1.00 0.00 H new ATOM 0 HA MET A 85 11.923 8.309 9.994 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.460 6.715 7.852 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.923 6.903 9.509 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.688 9.330 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.271 9.172 7.531 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.540 9.906 6.788 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.491 10.619 8.113 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.241 10.356 6.520 1.00 0.00 H new ATOM 1293 N GLY A 86 12.890 5.468 8.565 1.00 0.00 N ATOM 1294 CA GLY A 86 13.313 4.114 8.865 1.00 0.00 C ATOM 1295 C GLY A 86 12.125 3.199 9.091 1.00 0.00 C ATOM 1296 O GLY A 86 12.273 2.061 9.539 1.00 0.00 O ATOM 0 H GLY A 86 12.907 5.719 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.918 3.730 8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.945 4.117 9.753 1.00 0.00 H new ATOM 1300 N ILE A 87 10.944 3.712 8.786 1.00 0.00 N ATOM 1301 CA ILE A 87 9.700 2.997 8.940 1.00 0.00 C ATOM 1302 C ILE A 87 8.621 3.699 8.119 1.00 0.00 C ATOM 1303 O ILE A 87 8.768 4.865 7.759 1.00 0.00 O ATOM 1304 CB ILE A 87 9.288 2.914 10.427 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.482 1.646 10.705 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.468 4.126 10.801 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.407 1.282 12.167 1.00 0.00 C ATOM 0 H ILE A 87 10.828 4.656 8.418 1.00 0.00 H new ATOM 0 HA ILE A 87 9.826 1.976 8.580 1.00 0.00 H new ATOM 0 HB ILE A 87 10.196 2.884 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.471 1.778 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.926 0.816 10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.181 4.061 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.058 5.028 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.572 4.164 10.181 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.819 0.372 12.286 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.413 1.117 12.553 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.935 2.094 12.720 1.00 0.00 H new ATOM 1319 N VAL A 88 7.569 2.977 7.810 1.00 0.00 N ATOM 1320 CA VAL A 88 6.466 3.505 7.027 1.00 0.00 C ATOM 1321 C VAL A 88 5.138 3.113 7.648 1.00 0.00 C ATOM 1322 O VAL A 88 4.974 1.989 8.100 1.00 0.00 O ATOM 1323 CB VAL A 88 6.530 2.975 5.587 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.653 3.649 4.843 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.741 1.473 5.581 1.00 0.00 C ATOM 0 H VAL A 88 7.450 2.004 8.093 1.00 0.00 H new ATOM 0 HA VAL A 88 6.549 4.592 7.015 1.00 0.00 H new ATOM 0 HB VAL A 88 5.584 3.197 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.693 3.269 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.482 4.725 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.598 3.441 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.784 1.116 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.677 1.235 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.914 0.987 6.100 1.00 0.00 H new ATOM 1335 N THR A 89 4.194 4.028 7.679 1.00 0.00 N ATOM 1336 CA THR A 89 2.906 3.742 8.279 1.00 0.00 C ATOM 1337 C THR A 89 1.805 3.696 7.220 1.00 0.00 C ATOM 1338 O THR A 89 1.763 4.524 6.321 1.00 0.00 O ATOM 1339 CB THR A 89 2.552 4.781 9.358 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.723 5.117 10.115 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.498 4.222 10.295 1.00 0.00 C ATOM 0 H THR A 89 4.291 4.970 7.299 1.00 0.00 H new ATOM 0 HA THR A 89 2.978 2.762 8.751 1.00 0.00 H new ATOM 0 HB THR A 89 2.164 5.674 8.868 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.491 5.780 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.255 4.965 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.600 3.976 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.880 3.322 10.777 1.00 0.00 H new ATOM 1349 N SER A 90 0.944 2.691 7.331 1.00 0.00 N ATOM 1350 CA SER A 90 -0.182 2.491 6.426 1.00 0.00 C ATOM 1351 C SER A 90 -1.264 3.547 6.647 1.00 0.00 C ATOM 1352 O SER A 90 -1.215 4.276 7.638 1.00 0.00 O ATOM 1353 CB SER A 90 -0.759 1.085 6.666 1.00 0.00 C ATOM 1354 OG SER A 90 -2.008 0.899 6.021 1.00 0.00 O ATOM 0 H SER A 90 1.009 1.983 8.062 1.00 0.00 H new ATOM 0 HA SER A 90 0.165 2.587 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.052 0.338 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.878 0.921 7.737 1.00 0.00 H new ATOM 0 HG SER A 90 -1.861 0.550 5.117 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.243 3.626 5.734 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.404 4.483 5.948 1.00 0.00 C ATOM 1362 C LEU A 91 -4.028 4.164 7.300 1.00 0.00 C ATOM 1363 O LEU A 91 -4.477 5.049 8.026 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.492 4.274 4.893 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.919 5.466 4.107 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.363 6.735 4.682 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -4.520 5.282 2.692 1.00 0.00 C ATOM 0 H LEU A 91 -2.250 3.112 4.853 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.046 5.511 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.142 3.516 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.371 3.866 5.391 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.004 5.557 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.696 7.582 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.715 6.855 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.274 6.691 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.829 6.151 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.437 5.171 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.999 4.388 2.292 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.023 2.875 7.630 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.695 2.387 8.828 1.00 0.00 C ATOM 1381 C GLU A 92 -3.864 2.680 10.062 1.00 0.00 C ATOM 1382 O GLU A 92 -4.385 2.811 11.167 1.00 0.00 O ATOM 1383 CB GLU A 92 -4.938 0.885 8.719 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.657 0.075 8.614 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.436 -0.837 9.799 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.353 -0.336 10.935 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.314 -2.057 9.591 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.560 2.150 7.083 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.652 2.901 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.501 0.551 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.558 0.687 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.685 -0.523 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.810 0.755 8.523 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.567 2.804 9.851 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.657 3.003 10.956 1.00 0.00 C ATOM 1396 C GLY A 93 -0.671 1.859 11.145 1.00 0.00 C ATOM 1397 O GLY A 93 0.005 1.794 12.169 1.00 0.00 O ATOM 0 H GLY A 93 -2.126 2.770 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.102 3.928 10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.233 3.130 11.872 1.00 0.00 H new ATOM 1401 N SER A 94 -0.571 0.959 10.169 1.00 0.00 N ATOM 1402 CA SER A 94 0.383 -0.133 10.262 1.00 0.00 C ATOM 1403 C SER A 94 1.785 0.325 9.875 1.00 0.00 C ATOM 1404 O SER A 94 2.008 0.778 8.757 1.00 0.00 O ATOM 1405 CB SER A 94 -0.052 -1.301 9.376 1.00 0.00 C ATOM 1406 OG SER A 94 -0.781 -2.264 10.115 1.00 0.00 O ATOM 0 H SER A 94 -1.132 0.967 9.317 1.00 0.00 H new ATOM 0 HA SER A 94 0.408 -0.466 11.300 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.665 -0.929 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.826 -1.769 8.931 1.00 0.00 H new ATOM 0 HG SER A 94 -1.644 -2.426 9.680 1.00 0.00 H new ATOM 1412 N THR A 95 2.722 0.193 10.800 1.00 0.00 N ATOM 1413 CA THR A 95 4.108 0.554 10.549 1.00 0.00 C ATOM 1414 C THR A 95 4.928 -0.615 10.005 1.00 0.00 C ATOM 1415 O THR A 95 4.807 -1.750 10.465 1.00 0.00 O ATOM 1416 CB THR A 95 4.773 1.085 11.824 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.955 0.775 12.963 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.999 2.585 11.729 1.00 0.00 C ATOM 0 H THR A 95 2.546 -0.164 11.739 1.00 0.00 H new ATOM 0 HA THR A 95 4.088 1.335 9.789 1.00 0.00 H new ATOM 0 HB THR A 95 5.744 0.603 11.939 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.384 1.114 13.776 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.472 2.940 12.645 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.645 2.802 10.879 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.042 3.089 11.596 1.00 0.00 H new ATOM 1426 N ILE A 96 5.758 -0.309 9.021 1.00 0.00 N ATOM 1427 CA ILE A 96 6.653 -1.268 8.398 1.00 0.00 C ATOM 1428 C ILE A 96 8.068 -0.676 8.356 1.00 0.00 C ATOM 1429 O ILE A 96 8.251 0.433 7.877 1.00 0.00 O ATOM 1430 CB ILE A 96 6.186 -1.630 6.960 1.00 0.00 C ATOM 1431 CG1 ILE A 96 5.084 -2.697 6.965 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.348 -2.086 6.107 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.701 -2.162 7.286 1.00 0.00 C ATOM 0 H ILE A 96 5.829 0.629 8.627 1.00 0.00 H new ATOM 0 HA ILE A 96 6.647 -2.185 8.988 1.00 0.00 H new ATOM 0 HB ILE A 96 5.769 -0.721 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.057 -3.180 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.342 -3.466 7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.991 -2.332 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.087 -1.287 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.805 -2.968 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.981 -2.980 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.708 -1.706 8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.419 -1.415 6.544 1.00 0.00 H new ATOM 1445 N PRO A 97 9.083 -1.384 8.871 1.00 0.00 N ATOM 1446 CA PRO A 97 10.439 -0.835 8.986 1.00 0.00 C ATOM 1447 C PRO A 97 11.148 -0.700 7.643 1.00 0.00 C ATOM 1448 O PRO A 97 11.143 -1.613 6.813 1.00 0.00 O ATOM 1449 CB PRO A 97 11.180 -1.842 9.876 1.00 0.00 C ATOM 1450 CG PRO A 97 10.145 -2.810 10.356 1.00 0.00 C ATOM 1451 CD PRO A 97 9.013 -2.758 9.374 1.00 0.00 C ATOM 0 HA PRO A 97 10.413 0.176 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.963 -2.354 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.663 -1.340 10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.557 -3.817 10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.802 -2.544 11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.137 -3.488 8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.055 -2.966 9.850 1.00 0.00 H new ATOM 1459 N ILE A 98 11.746 0.462 7.453 1.00 0.00 N ATOM 1460 CA ILE A 98 12.498 0.781 6.259 1.00 0.00 C ATOM 1461 C ILE A 98 13.994 0.530 6.440 1.00 0.00 C ATOM 1462 O ILE A 98 14.570 0.815 7.491 1.00 0.00 O ATOM 1463 CB ILE A 98 12.255 2.249 5.874 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.792 2.442 5.489 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.181 2.690 4.754 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.366 1.640 4.282 1.00 0.00 C ATOM 0 H ILE A 98 11.721 1.220 8.135 1.00 0.00 H new ATOM 0 HA ILE A 98 12.151 0.125 5.461 1.00 0.00 H new ATOM 0 HB ILE A 98 12.478 2.877 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.164 2.166 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.615 3.499 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.982 3.733 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.217 2.585 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.009 2.070 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.314 1.831 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.967 1.932 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.509 0.578 4.482 1.00 0.00 H new ATOM 1478 N HIS A 99 14.597 -0.017 5.398 1.00 0.00 N ATOM 1479 CA HIS A 99 16.025 -0.322 5.361 1.00 0.00 C ATOM 1480 C HIS A 99 16.553 0.031 3.971 1.00 0.00 C ATOM 1481 O HIS A 99 15.798 0.547 3.147 1.00 0.00 O ATOM 1482 CB HIS A 99 16.297 -1.799 5.673 1.00 0.00 C ATOM 1483 CG HIS A 99 15.505 -2.343 6.825 1.00 0.00 C ATOM 1484 ND1 HIS A 99 15.843 -2.136 8.145 1.00 0.00 N ATOM 1485 CD2 HIS A 99 14.367 -3.080 6.843 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.948 -2.719 8.922 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.041 -3.299 8.158 1.00 0.00 N ATOM 0 H HIS A 99 14.105 -0.267 4.540 1.00 0.00 H new ATOM 0 HA HIS A 99 16.535 0.265 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 99 16.078 -2.392 4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.359 -1.924 5.886 1.00 0.00 H new ATOM 0 HD1 HIS A 99 16.657 -1.614 8.471 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.818 -3.430 5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.957 -2.721 10.002 1.00 0.00 H new ATOM 1496 N GLY A 100 17.835 -0.192 3.717 1.00 0.00 N ATOM 1497 CA GLY A 100 18.360 0.046 2.388 1.00 0.00 C ATOM 1498 C GLY A 100 19.754 0.628 2.375 1.00 0.00 C ATOM 1499 O GLY A 100 19.969 1.756 2.826 1.00 0.00 O ATOM 0 H GLY A 100 18.514 -0.530 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.364 -0.894 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 100 17.689 0.723 1.859 1.00 0.00 H new ATOM 1503 N ASP A 101 20.701 -0.135 1.840 1.00 0.00 N ATOM 1504 CA ASP A 101 22.068 0.344 1.683 1.00 0.00 C ATOM 1505 C ASP A 101 22.175 1.163 0.410 1.00 0.00 C ATOM 1506 O ASP A 101 22.698 2.276 0.416 1.00 0.00 O ATOM 1507 CB ASP A 101 23.062 -0.819 1.637 1.00 0.00 C ATOM 1508 CG ASP A 101 24.500 -0.346 1.509 1.00 0.00 C ATOM 1509 OD1 ASP A 101 25.148 -0.118 2.550 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.989 -0.204 0.368 1.00 0.00 O1- ATOM 0 H ASP A 101 20.547 -1.087 1.508 1.00 0.00 H new ATOM 0 HA ASP A 101 22.315 0.965 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.958 -1.418 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.819 -1.468 0.795 1.00 0.00 H new ATOM 1515 N ASN A 102 21.661 0.610 -0.679 1.00 0.00 N ATOM 1516 CA ASN A 102 21.639 1.313 -1.955 1.00 0.00 C ATOM 1517 C ASN A 102 20.198 1.565 -2.423 1.00 0.00 C ATOM 1518 O ASN A 102 19.844 2.709 -2.713 1.00 0.00 O ATOM 1519 CB ASN A 102 22.446 0.558 -3.018 1.00 0.00 C ATOM 1520 CG ASN A 102 22.427 1.255 -4.367 1.00 0.00 C ATOM 1521 OD1 ASN A 102 22.328 2.480 -4.444 1.00 0.00 O ATOM 1522 ND2 ASN A 102 22.527 0.483 -5.439 1.00 0.00 N ATOM 0 H ASN A 102 21.253 -0.324 -0.705 1.00 0.00 H new ATOM 0 HA ASN A 102 22.114 2.283 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.477 0.454 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.044 -0.449 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.524 0.900 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.607 -0.528 -5.333 1.00 0.00 H new ATOM 1529 N PRO A 103 19.332 0.526 -2.513 1.00 0.00 N ATOM 1530 CA PRO A 103 17.921 0.720 -2.798 1.00 0.00 C ATOM 1531 C PRO A 103 17.138 0.891 -1.507 1.00 0.00 C ATOM 1532 O PRO A 103 17.699 0.782 -0.416 1.00 0.00 O ATOM 1533 CB PRO A 103 17.553 -0.592 -3.473 1.00 0.00 C ATOM 1534 CG PRO A 103 18.314 -1.596 -2.700 1.00 0.00 C ATOM 1535 CD PRO A 103 19.625 -0.923 -2.356 1.00 0.00 C ATOM 0 HA PRO A 103 17.707 1.603 -3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.480 -0.780 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 103 17.835 -0.596 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.775 -1.891 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.478 -2.501 -3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.941 -1.159 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.426 -1.244 -3.022 1.00 0.00 H new ATOM 1543 N LEU A 104 15.865 1.195 -1.619 1.00 0.00 N ATOM 1544 CA LEU A 104 15.011 1.207 -0.452 1.00 0.00 C ATOM 1545 C LEU A 104 14.597 -0.210 -0.109 1.00 0.00 C ATOM 1546 O LEU A 104 14.575 -1.092 -0.967 1.00 0.00 O ATOM 1547 CB LEU A 104 13.768 2.053 -0.693 1.00 0.00 C ATOM 1548 CG LEU A 104 12.897 2.298 0.540 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.524 3.334 1.455 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.512 2.734 0.121 1.00 0.00 C ATOM 0 H LEU A 104 15.401 1.435 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 104 15.570 1.642 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.077 3.017 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.160 1.568 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 104 12.821 1.363 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.883 3.488 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.503 2.984 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.637 4.275 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.901 2.905 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.580 3.656 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.055 1.956 -0.490 1.00 0.00 H new ATOM 1562 N GLU A 105 14.268 -0.418 1.145 1.00 0.00 N ATOM 1563 CA GLU A 105 13.858 -1.718 1.622 1.00 0.00 C ATOM 1564 C GLU A 105 12.688 -1.561 2.557 1.00 0.00 C ATOM 1565 O GLU A 105 12.811 -1.015 3.652 1.00 0.00 O ATOM 1566 CB GLU A 105 14.987 -2.433 2.349 1.00 0.00 C ATOM 1567 CG GLU A 105 16.252 -2.588 1.533 1.00 0.00 C ATOM 1568 CD GLU A 105 17.240 -3.521 2.199 1.00 0.00 C ATOM 1569 OE1 GLU A 105 16.941 -4.731 2.292 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.301 -3.056 2.651 1.00 0.00 O1- ATOM 0 H GLU A 105 14.277 0.308 1.862 1.00 0.00 H new ATOM 0 HA GLU A 105 13.578 -2.319 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.222 -1.884 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.640 -3.421 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.002 -2.970 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.714 -1.611 1.390 1.00 0.00 H new ATOM 1577 N VAL A 106 11.558 -2.020 2.107 1.00 0.00 N ATOM 1578 CA VAL A 106 10.347 -1.961 2.883 1.00 0.00 C ATOM 1579 C VAL A 106 10.054 -3.347 3.452 1.00 0.00 C ATOM 1580 O VAL A 106 9.908 -4.305 2.696 1.00 0.00 O ATOM 1581 CB VAL A 106 9.193 -1.402 2.004 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.478 -1.646 0.530 1.00 0.00 C ATOM 1583 CG2 VAL A 106 7.839 -1.984 2.377 1.00 0.00 C ATOM 0 H VAL A 106 11.446 -2.448 1.188 1.00 0.00 H new ATOM 0 HA VAL A 106 10.454 -1.281 3.728 1.00 0.00 H new ATOM 0 HB VAL A 106 9.147 -0.329 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.659 -1.248 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.407 -1.148 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.572 -2.717 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.070 -1.559 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.861 -3.066 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.614 -1.744 3.416 1.00 0.00 H new ATOM 1593 N LYS A 107 10.023 -3.440 4.795 1.00 0.00 N ATOM 1594 CA LYS A 107 9.876 -4.713 5.532 1.00 0.00 C ATOM 1595 C LYS A 107 10.833 -5.793 5.021 1.00 0.00 C ATOM 1596 O LYS A 107 12.037 -5.729 5.262 1.00 0.00 O ATOM 1597 CB LYS A 107 8.417 -5.238 5.553 1.00 0.00 C ATOM 1598 CG LYS A 107 7.662 -5.064 4.246 1.00 0.00 C ATOM 1599 CD LYS A 107 6.377 -5.856 4.198 1.00 0.00 C ATOM 1600 CE LYS A 107 5.657 -5.601 2.889 1.00 0.00 C ATOM 1601 NZ LYS A 107 4.673 -6.663 2.577 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.100 -2.627 5.406 1.00 0.00 H new ATOM 0 HA LYS A 107 10.148 -4.483 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.430 -6.297 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.871 -4.723 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.437 -4.007 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.303 -5.370 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.592 -6.919 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.737 -5.576 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.148 -4.639 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.386 -5.535 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.934 -6.279 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.153 -7.452 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.240 -7.005 3.459 1.00 0.00 H new ATOM 1615 N ASN A 108 10.290 -6.772 4.313 1.00 0.00 N ATOM 1616 CA ASN A 108 11.064 -7.894 3.800 1.00 0.00 C ATOM 1617 C ASN A 108 11.199 -7.797 2.287 1.00 0.00 C ATOM 1618 O ASN A 108 11.669 -8.722 1.623 1.00 0.00 O ATOM 1619 CB ASN A 108 10.400 -9.220 4.191 1.00 0.00 C ATOM 1620 CG ASN A 108 8.943 -9.309 3.759 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.240 -8.302 3.655 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.472 -10.514 3.511 1.00 0.00 N ATOM 0 H ASN A 108 9.298 -6.811 4.077 1.00 0.00 H new ATOM 0 HA ASN A 108 12.061 -7.859 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.956 -10.044 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.460 -9.345 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.500 -10.633 3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.079 -11.328 3.606 1.00 0.00 H new ATOM 1629 N ALA A 109 10.786 -6.661 1.752 1.00 0.00 N ATOM 1630 CA ALA A 109 10.851 -6.416 0.326 1.00 0.00 C ATOM 1631 C ALA A 109 12.007 -5.478 0.006 1.00 0.00 C ATOM 1632 O ALA A 109 12.530 -4.797 0.890 1.00 0.00 O ATOM 1633 CB ALA A 109 9.530 -5.837 -0.169 1.00 0.00 C ATOM 0 H ALA A 109 10.398 -5.888 2.293 1.00 0.00 H new ATOM 0 HA ALA A 109 11.025 -7.361 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.591 -5.657 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.724 -6.542 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.329 -4.897 0.346 1.00 0.00 H new ATOM 1639 N THR A 110 12.396 -5.438 -1.252 1.00 0.00 N ATOM 1640 CA THR A 110 13.480 -4.606 -1.690 1.00 0.00 C ATOM 1641 C THR A 110 12.998 -3.797 -2.871 1.00 0.00 C ATOM 1642 O THR A 110 12.322 -4.328 -3.751 1.00 0.00 O ATOM 1643 CB THR A 110 14.715 -5.438 -2.093 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.014 -6.395 -1.069 1.00 0.00 O ATOM 1645 CG2 THR A 110 15.927 -4.541 -2.316 1.00 0.00 C ATOM 0 H THR A 110 11.963 -5.986 -1.996 1.00 0.00 H new ATOM 0 HA THR A 110 13.785 -3.957 -0.869 1.00 0.00 H new ATOM 0 HB THR A 110 14.487 -5.955 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.798 -6.921 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.784 -5.152 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.711 -3.828 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.154 -4.001 -1.397 1.00 0.00 H new ATOM 1653 N VAL A 111 13.304 -2.523 -2.876 1.00 0.00 N ATOM 1654 CA VAL A 111 12.806 -1.646 -3.911 1.00 0.00 C ATOM 1655 C VAL A 111 13.670 -1.718 -5.166 1.00 0.00 C ATOM 1656 O VAL A 111 14.891 -1.571 -5.114 1.00 0.00 O ATOM 1657 CB VAL A 111 12.687 -0.198 -3.399 1.00 0.00 C ATOM 1658 CG1 VAL A 111 12.708 0.797 -4.544 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.413 -0.034 -2.586 1.00 0.00 C ATOM 0 H VAL A 111 13.894 -2.070 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 111 11.807 -1.988 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 111 13.548 0.005 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.622 1.809 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 111 13.645 0.700 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.872 0.598 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.339 0.993 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.550 -0.264 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.435 -0.714 -1.734 1.00 0.00 H new ATOM 1669 N LEU A 112 13.009 -1.977 -6.284 1.00 0.00 N ATOM 1670 CA LEU A 112 13.657 -2.065 -7.579 1.00 0.00 C ATOM 1671 C LEU A 112 13.690 -0.695 -8.231 1.00 0.00 C ATOM 1672 O LEU A 112 14.670 -0.315 -8.868 1.00 0.00 O ATOM 1673 CB LEU A 112 12.911 -3.041 -8.496 1.00 0.00 C ATOM 1674 CG LEU A 112 13.004 -4.515 -8.118 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.096 -4.789 -6.945 1.00 0.00 C ATOM 1676 CD2 LEU A 112 12.636 -5.399 -9.300 1.00 0.00 C ATOM 0 H LEU A 112 12.001 -2.133 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 112 14.673 -2.429 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.859 -2.757 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.294 -2.921 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 112 14.031 -4.747 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.161 -5.843 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.402 -4.176 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.068 -4.547 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.709 -6.447 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.615 -5.180 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.319 -5.204 -10.127 1.00 0.00 H new ATOM 1688 N ALA A 113 12.600 0.039 -8.064 1.00 0.00 N ATOM 1689 CA ALA A 113 12.465 1.365 -8.645 1.00 0.00 C ATOM 1690 C ALA A 113 11.522 2.216 -7.807 1.00 0.00 C ATOM 1691 O ALA A 113 10.348 1.890 -7.661 1.00 0.00 O ATOM 1692 CB ALA A 113 11.957 1.268 -10.077 1.00 0.00 C ATOM 0 H ALA A 113 11.789 -0.266 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 113 13.446 1.840 -8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.861 2.269 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.661 0.689 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.984 0.776 -10.085 1.00 0.00 H new ATOM 1698 N ALA A 114 12.039 3.288 -7.235 1.00 0.00 N ATOM 1699 CA ALA A 114 11.237 4.168 -6.414 1.00 0.00 C ATOM 1700 C ALA A 114 11.552 5.620 -6.715 1.00 0.00 C ATOM 1701 O ALA A 114 12.284 5.917 -7.661 1.00 0.00 O ATOM 1702 CB ALA A 114 11.471 3.864 -4.953 1.00 0.00 C ATOM 0 H ALA A 114 13.015 3.569 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 114 10.185 3.998 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.864 4.531 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.194 2.830 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.524 4.012 -4.715 1.00 0.00 H new ATOM 1708 N ASP A 115 10.960 6.514 -5.917 1.00 0.00 N ATOM 1709 CA ASP A 115 11.039 7.954 -6.153 1.00 0.00 C ATOM 1710 C ASP A 115 10.192 8.276 -7.380 1.00 0.00 C ATOM 1711 O ASP A 115 10.426 9.229 -8.121 1.00 0.00 O ATOM 1712 CB ASP A 115 12.506 8.396 -6.303 1.00 0.00 C ATOM 1713 CG ASP A 115 12.673 9.876 -6.577 1.00 0.00 C ATOM 1714 OD1 ASP A 115 12.214 10.696 -5.756 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.284 10.224 -7.610 1.00 0.00 O1- ATOM 0 H ASP A 115 10.415 6.259 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 115 10.645 8.513 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.048 8.141 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.965 7.832 -7.115 1.00 0.00 H new ATOM 1720 N ILE A 116 9.185 7.435 -7.563 1.00 0.00 N ATOM 1721 CA ILE A 116 8.264 7.536 -8.665 1.00 0.00 C ATOM 1722 C ILE A 116 7.100 8.421 -8.277 1.00 0.00 C ATOM 1723 O ILE A 116 6.300 8.052 -7.428 1.00 0.00 O ATOM 1724 CB ILE A 116 7.711 6.148 -9.031 1.00 0.00 C ATOM 1725 CG1 ILE A 116 8.847 5.124 -9.108 1.00 0.00 C ATOM 1726 CG2 ILE A 116 6.946 6.220 -10.339 1.00 0.00 C ATOM 1727 CD1 ILE A 116 8.411 3.752 -9.574 1.00 0.00 C ATOM 0 H ILE A 116 8.989 6.655 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 116 8.796 7.957 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 116 7.021 5.823 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 116 9.615 5.499 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.307 5.033 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.559 5.232 -10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.117 6.920 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.612 6.560 -11.132 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.273 3.086 -9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.666 3.353 -8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.979 3.827 -10.572 1.00 0.00 H new ATOM 1739 N GLU A 117 7.015 9.580 -8.877 1.00 0.00 N ATOM 1740 CA GLU A 117 5.919 10.486 -8.602 1.00 0.00 C ATOM 1741 C GLU A 117 4.603 9.926 -9.123 1.00 0.00 C ATOM 1742 O GLU A 117 4.371 9.854 -10.330 1.00 0.00 O ATOM 1743 CB GLU A 117 6.185 11.850 -9.214 1.00 0.00 C ATOM 1744 CG GLU A 117 7.487 12.470 -8.743 1.00 0.00 C ATOM 1745 CD GLU A 117 7.677 13.877 -9.257 1.00 0.00 C ATOM 1746 OE1 GLU A 117 6.909 14.773 -8.851 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.588 14.096 -10.082 1.00 0.00 O1- ATOM 0 H GLU A 117 7.690 9.923 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 117 5.841 10.596 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.206 11.757 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.361 12.519 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.508 12.479 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.321 11.850 -9.073 1.00 0.00 H new ATOM 1754 N ALA A 118 3.757 9.522 -8.195 1.00 0.00 N ATOM 1755 CA ALA A 118 2.436 9.005 -8.519 1.00 0.00 C ATOM 1756 C ALA A 118 1.470 10.135 -8.817 1.00 0.00 C ATOM 1757 O ALA A 118 1.842 11.310 -8.751 1.00 0.00 O ATOM 1758 CB ALA A 118 1.903 8.160 -7.378 1.00 0.00 C ATOM 0 H ALA A 118 3.963 9.542 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 118 2.528 8.383 -9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.914 7.781 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.577 7.322 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.834 8.768 -6.476 1.00 0.00 H new ATOM 1764 N GLU A 119 0.231 9.767 -9.135 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.824 10.736 -9.414 1.00 0.00 C ATOM 1766 C GLU A 119 -0.853 11.843 -8.362 1.00 0.00 C ATOM 1767 O GLU A 119 -0.837 13.030 -8.690 1.00 0.00 O ATOM 1768 CB GLU A 119 -2.192 10.039 -9.476 1.00 0.00 C ATOM 1769 CG GLU A 119 -2.413 9.003 -8.377 1.00 0.00 C ATOM 1770 CD GLU A 119 -3.875 8.711 -8.127 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -4.460 7.888 -8.854 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -4.446 9.301 -7.188 1.00 0.00 O1- ATOM 0 H GLU A 119 -0.068 8.794 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.609 11.189 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.976 10.794 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.296 9.552 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.905 8.078 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.956 9.358 -7.453 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.875 11.446 -7.100 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.950 12.392 -6.006 1.00 0.00 C ATOM 1781 C ASN A 120 0.249 12.257 -5.083 1.00 0.00 C ATOM 1782 O ASN A 120 0.509 13.141 -4.274 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.252 12.210 -5.224 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.472 12.658 -6.005 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.393 13.553 -6.845 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -4.611 12.049 -5.727 1.00 0.00 N ATOM 0 H ASN A 120 -0.842 10.469 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.938 13.396 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.365 11.160 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.194 12.775 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.465 12.317 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.636 11.311 -5.023 1.00 0.00 H new ATOM 1793 N GLY A 121 0.982 11.156 -5.195 1.00 0.00 N ATOM 1794 CA GLY A 121 2.092 10.933 -4.289 1.00 0.00 C ATOM 1795 C GLY A 121 3.286 10.285 -4.944 1.00 0.00 C ATOM 1796 O GLY A 121 3.869 10.834 -5.872 1.00 0.00 O ATOM 0 H GLY A 121 0.831 10.422 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.397 11.887 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.756 10.305 -3.464 1.00 0.00 H new ATOM 1800 N ILE A 122 3.634 9.109 -4.454 1.00 0.00 N ATOM 1801 CA ILE A 122 4.856 8.426 -4.841 1.00 0.00 C ATOM 1802 C ILE A 122 4.671 6.908 -4.873 1.00 0.00 C ATOM 1803 O ILE A 122 3.945 6.339 -4.063 1.00 0.00 O ATOM 1804 CB ILE A 122 5.974 8.785 -3.847 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.399 10.231 -4.023 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.174 7.874 -3.985 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.202 10.480 -5.285 1.00 0.00 C ATOM 0 H ILE A 122 3.074 8.598 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 122 5.122 8.752 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 122 5.567 8.647 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.511 10.863 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.992 10.534 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.937 8.166 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.872 6.844 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.579 7.956 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.470 11.535 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.109 9.875 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.605 10.209 -6.156 1.00 0.00 H new ATOM 1819 N ILE A 123 5.347 6.270 -5.812 1.00 0.00 N ATOM 1820 CA ILE A 123 5.321 4.821 -5.956 1.00 0.00 C ATOM 1821 C ILE A 123 6.711 4.236 -5.718 1.00 0.00 C ATOM 1822 O ILE A 123 7.726 4.896 -5.958 1.00 0.00 O ATOM 1823 CB ILE A 123 4.800 4.426 -7.361 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.320 4.766 -7.464 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.018 2.944 -7.650 1.00 0.00 C ATOM 1826 CD1 ILE A 123 2.861 5.086 -8.868 1.00 0.00 C ATOM 0 H ILE A 123 5.933 6.743 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 123 4.642 4.412 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 123 5.364 4.990 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 123 2.737 3.927 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.108 5.619 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.639 2.708 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.083 2.717 -7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.488 2.347 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.796 5.318 -8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.416 5.945 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.040 4.226 -9.514 1.00 0.00 H new ATOM 1838 N HIS A 124 6.753 3.020 -5.190 1.00 0.00 N ATOM 1839 CA HIS A 124 8.012 2.304 -5.001 1.00 0.00 C ATOM 1840 C HIS A 124 7.823 0.846 -5.390 1.00 0.00 C ATOM 1841 O HIS A 124 7.031 0.140 -4.775 1.00 0.00 O ATOM 1842 CB HIS A 124 8.500 2.352 -3.542 1.00 0.00 C ATOM 1843 CG HIS A 124 8.207 3.623 -2.797 1.00 0.00 C ATOM 1844 ND1 HIS A 124 8.975 4.714 -2.553 1.00 0.00 N flip ATOM 1845 CD2 HIS A 124 7.008 3.857 -2.161 1.00 0.00 C flip ATOM 1846 CE1 HIS A 124 8.232 5.570 -1.780 1.00 0.00 C flip ATOM 1847 NE2 HIS A 124 7.052 5.028 -1.557 1.00 0.00 N flip ATOM 0 H HIS A 124 5.927 2.505 -4.883 1.00 0.00 H new ATOM 0 HA HIS A 124 8.758 2.792 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.047 1.522 -3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.578 2.188 -3.533 1.00 0.00 H new ATOM 0 HD1 HIS A 124 9.928 4.869 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.162 3.185 -2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 124 8.561 6.531 -1.414 1.00 0.00 H new ATOM 1856 N VAL A 125 8.541 0.406 -6.404 1.00 0.00 N ATOM 1857 CA VAL A 125 8.458 -0.969 -6.873 1.00 0.00 C ATOM 1858 C VAL A 125 9.279 -1.880 -5.970 1.00 0.00 C ATOM 1859 O VAL A 125 10.443 -1.605 -5.710 1.00 0.00 O ATOM 1860 CB VAL A 125 8.964 -1.090 -8.326 1.00 0.00 C ATOM 1861 CG1 VAL A 125 8.905 -2.530 -8.812 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.161 -0.179 -9.241 1.00 0.00 C ATOM 0 H VAL A 125 9.197 0.986 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 125 7.412 -1.273 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 125 10.008 -0.776 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.268 -2.583 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.529 -3.155 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.875 -2.885 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 125 8.528 -0.274 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.109 -0.463 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.269 0.854 -8.911 1.00 0.00 H new ATOM 1872 N ILE A 126 8.672 -2.959 -5.498 1.00 0.00 N ATOM 1873 CA ILE A 126 9.337 -3.872 -4.587 1.00 0.00 C ATOM 1874 C ILE A 126 9.311 -5.281 -5.123 1.00 0.00 C ATOM 1875 O ILE A 126 8.617 -5.601 -6.093 1.00 0.00 O ATOM 1876 CB ILE A 126 8.705 -3.881 -3.182 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.290 -4.473 -3.234 1.00 0.00 C ATOM 1878 CG2 ILE A 126 8.709 -2.484 -2.580 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.185 -3.464 -3.048 1.00 0.00 C ATOM 0 H ILE A 126 7.715 -3.222 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 126 10.362 -3.512 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 126 9.306 -4.517 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.153 -4.971 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.201 -5.238 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.258 -2.514 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.735 -2.125 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.137 -1.811 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.220 -3.968 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.292 -2.982 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.243 -2.711 -3.834 1.00 0.00 H new ATOM 1891 N ASP A 127 10.076 -6.117 -4.470 1.00 0.00 N ATOM 1892 CA ASP A 127 10.259 -7.482 -4.893 1.00 0.00 C ATOM 1893 C ASP A 127 9.570 -8.442 -3.927 1.00 0.00 C ATOM 1894 O ASP A 127 9.869 -9.629 -3.867 1.00 0.00 O ATOM 1895 CB ASP A 127 11.758 -7.744 -5.008 1.00 0.00 C ATOM 1896 CG ASP A 127 12.085 -9.118 -5.534 1.00 0.00 C ATOM 1897 OD1 ASP A 127 11.693 -9.420 -6.677 1.00 0.00 O ATOM 1898 OD2 ASP A 127 12.754 -9.890 -4.812 1.00 0.00 O1- ATOM 0 H ASP A 127 10.592 -5.869 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 127 9.797 -7.650 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 127 12.201 -6.996 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 127 12.218 -7.619 -4.028 1.00 0.00 H new ATOM 1903 N THR A 128 8.615 -7.905 -3.187 1.00 0.00 N ATOM 1904 CA THR A 128 7.833 -8.680 -2.232 1.00 0.00 C ATOM 1905 C THR A 128 6.581 -7.899 -1.839 1.00 0.00 C ATOM 1906 O THR A 128 6.675 -6.757 -1.399 1.00 0.00 O ATOM 1907 CB THR A 128 8.659 -9.036 -0.971 1.00 0.00 C ATOM 1908 OG1 THR A 128 9.621 -10.053 -1.278 1.00 0.00 O ATOM 1909 CG2 THR A 128 7.767 -9.500 0.170 1.00 0.00 C ATOM 0 H THR A 128 8.358 -6.919 -3.230 1.00 0.00 H new ATOM 0 HA THR A 128 7.545 -9.616 -2.711 1.00 0.00 H new ATOM 0 HB THR A 128 9.176 -8.131 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 128 9.561 -10.284 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.382 -9.741 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 128 7.067 -8.706 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.212 -10.386 -0.139 1.00 0.00 H new ATOM 1917 N VAL A 129 5.416 -8.513 -2.016 1.00 0.00 N ATOM 1918 CA VAL A 129 4.153 -7.857 -1.747 1.00 0.00 C ATOM 1919 C VAL A 129 4.004 -7.548 -0.262 1.00 0.00 C ATOM 1920 O VAL A 129 3.923 -8.498 0.548 1.00 0.00 O ATOM 1921 CB VAL A 129 2.973 -8.725 -2.228 1.00 0.00 C ATOM 1922 CG1 VAL A 129 1.659 -8.189 -1.709 1.00 0.00 C ATOM 1923 CG2 VAL A 129 2.943 -8.780 -3.742 1.00 0.00 C ATOM 0 H VAL A 129 5.326 -9.473 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 129 4.143 -6.917 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 129 3.115 -9.732 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.844 -8.820 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 129 1.671 -8.189 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 129 1.513 -7.171 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.105 -9.396 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.828 -7.772 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.874 -9.211 -4.109 1.00 0.00 H new