USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 THR OG1 : rot 108:sc= 1.19 USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 39 GLN : amide:sc= -1.55! C(o=-1.4!,f=-4!) USER MOD Set 2.2: A 95 TYR OH : rot 51:sc= 0.137 USER MOD Single : A 3 GLN : amide:sc= 0.148 X(o=0.15,f=-0.12) USER MOD Single : A 5 GLN : amide:sc=-0.00437 X(o=-0.0044,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.119 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.226 F(o=-0.91,f=-0.23) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -86:sc= 0.844 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.98) USER MOD Single : A 34 MET CE :methyl -104:sc= -1.03 (180deg=-7.39!) USER MOD Single : A 49 SER OG : rot 7:sc= -1.75! USER MOD Single : A 50 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 52 ASN : amide:sc= -1.97! C(o=-2!,f=-2.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 90:sc= -0.0489 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 43:sc=0.000438 USER MOD Single : A 74 ASN : amide:sc= 0.0824 K(o=0.082,f=-2.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.661 K(o=-0.66,f=-1.9!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.41 F(o=-3.1!,f=-1.4) USER MOD Single : A 83 MET CE :methyl -169:sc= -0.446 (180deg=-0.889) USER MOD Single : A 84 ASN : amide:sc= 0.246 K(o=0.25,f=-3.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.588 (180deg=-0.887) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 94 TYR OH : rot 151:sc= 0.0558! USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 1.52 (180deg=0.0185) USER MOD Single : A 99 TYR OH : rot -134:sc= 1.13 USER MOD Single : A 100 SER OG : rot 40:sc= 0.0206 USER MOD Single : A 109 GLN : amide:sc= -0.402 K(o=-0.4,f=-3!) USER MOD Single : A 111 THR OG1 : rot -110:sc= -1.06 USER MOD Single : A 112 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 179:sc= -0.686 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.483 -8.639 6.961 1.00 0.00 N ATOM 16 CA VAL A 2 -8.667 -9.281 5.936 1.00 0.00 C ATOM 17 C VAL A 2 -7.185 -9.223 6.295 1.00 0.00 C ATOM 18 O VAL A 2 -6.735 -8.298 6.974 1.00 0.00 O ATOM 19 CB VAL A 2 -8.892 -8.639 4.542 1.00 0.00 C ATOM 20 CG1 VAL A 2 -10.228 -7.914 4.489 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.760 -7.686 4.179 1.00 0.00 C ATOM 0 HA VAL A 2 -8.979 -10.324 5.890 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.903 -9.446 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.363 -7.472 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.034 -8.622 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.246 -7.128 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.949 -7.254 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.703 -6.890 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.817 -8.232 4.160 1.00 0.00 H new ATOM 31 N GLN A 3 -6.431 -10.213 5.828 1.00 0.00 N ATOM 32 CA GLN A 3 -4.998 -10.274 6.089 1.00 0.00 C ATOM 33 C GLN A 3 -4.229 -10.537 4.801 1.00 0.00 C ATOM 34 O GLN A 3 -4.669 -11.311 3.949 1.00 0.00 O ATOM 35 CB GLN A 3 -4.680 -11.361 7.114 1.00 0.00 C ATOM 36 CG GLN A 3 -3.301 -11.215 7.737 1.00 0.00 C ATOM 37 CD GLN A 3 -2.459 -12.467 7.590 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.917 -13.573 7.878 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.221 -12.300 7.142 1.00 0.00 N ATOM 0 H GLN A 3 -6.790 -10.985 5.266 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.689 -9.310 6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.432 -11.338 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.752 -12.337 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.783 -10.377 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.408 -10.976 8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.882 -11.365 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.608 -13.107 7.024 1.00 0.00 H new ATOM 48 N LEU A 4 -3.082 -9.883 4.660 1.00 0.00 N ATOM 49 CA LEU A 4 -2.253 -10.041 3.470 1.00 0.00 C ATOM 50 C LEU A 4 -0.838 -10.473 3.837 1.00 0.00 C ATOM 51 O LEU A 4 -0.543 -10.744 5.001 1.00 0.00 O ATOM 52 CB LEU A 4 -2.210 -8.733 2.678 1.00 0.00 C ATOM 53 CG LEU A 4 -3.144 -7.636 3.187 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.670 -6.272 2.715 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.572 -7.893 2.728 1.00 0.00 C ATOM 0 H LEU A 4 -2.704 -9.238 5.354 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.698 -10.821 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.188 -8.353 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.459 -8.947 1.639 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.127 -7.649 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.347 -5.503 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.665 -6.085 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.657 -6.248 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.222 -7.101 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.607 -7.909 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.912 -8.853 3.116 1.00 0.00 H new ATOM 67 N GLN A 5 0.032 -10.538 2.834 1.00 0.00 N ATOM 68 CA GLN A 5 1.418 -10.939 3.047 1.00 0.00 C ATOM 69 C GLN A 5 2.331 -10.322 1.991 1.00 0.00 C ATOM 70 O GLN A 5 1.966 -10.231 0.820 1.00 0.00 O ATOM 71 CB GLN A 5 1.531 -12.465 3.018 1.00 0.00 C ATOM 72 CG GLN A 5 2.963 -12.973 3.025 1.00 0.00 C ATOM 73 CD GLN A 5 3.186 -14.095 2.032 1.00 0.00 C ATOM 74 OE1 GLN A 5 4.062 -14.014 1.172 1.00 0.00 O ATOM 75 NE2 GLN A 5 2.388 -15.151 2.145 1.00 0.00 N ATOM 0 H GLN A 5 -0.199 -10.318 1.865 1.00 0.00 H new ATOM 0 HA GLN A 5 1.735 -10.576 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.005 -12.876 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.026 -12.841 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.638 -12.149 2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.216 -13.323 4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.675 -15.176 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.489 -15.937 1.503 1.00 0.00 H new ATOM 84 N ALA A 6 3.519 -9.895 2.413 1.00 0.00 N ATOM 85 CA ALA A 6 4.478 -9.285 1.497 1.00 0.00 C ATOM 86 C ALA A 6 5.829 -9.990 1.542 1.00 0.00 C ATOM 87 O ALA A 6 6.112 -10.755 2.463 1.00 0.00 O ATOM 88 CB ALA A 6 4.639 -7.804 1.806 1.00 0.00 C ATOM 0 H ALA A 6 3.839 -9.960 3.379 1.00 0.00 H new ATOM 0 HA ALA A 6 4.084 -9.394 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.357 -7.364 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.677 -7.303 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.998 -7.682 2.828 1.00 0.00 H new ATOM 94 N SER A 7 6.659 -9.722 0.533 1.00 0.00 N ATOM 95 CA SER A 7 7.984 -10.327 0.438 1.00 0.00 C ATOM 96 C SER A 7 8.744 -9.782 -0.770 1.00 0.00 C ATOM 97 O SER A 7 8.167 -9.105 -1.624 1.00 0.00 O ATOM 98 CB SER A 7 7.869 -11.849 0.330 1.00 0.00 C ATOM 99 OG SER A 7 9.143 -12.466 0.405 1.00 0.00 O ATOM 0 H SER A 7 6.434 -9.087 -0.232 1.00 0.00 H new ATOM 0 HA SER A 7 8.536 -10.073 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.232 -12.226 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.388 -12.114 -0.612 1.00 0.00 H new ATOM 0 HG SER A 7 9.040 -13.438 0.335 1.00 0.00 H new ATOM 105 N GLY A 8 10.037 -10.086 -0.836 1.00 0.00 N ATOM 106 CA GLY A 8 10.855 -9.624 -1.944 1.00 0.00 C ATOM 107 C GLY A 8 11.979 -8.708 -1.500 1.00 0.00 C ATOM 108 O GLY A 8 12.600 -8.034 -2.324 1.00 0.00 O ATOM 0 H GLY A 8 10.533 -10.644 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.277 -10.485 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.225 -9.098 -2.661 1.00 0.00 H new ATOM 112 N GLY A 9 12.242 -8.681 -0.198 1.00 0.00 N ATOM 113 CA GLY A 9 13.297 -7.838 0.330 1.00 0.00 C ATOM 114 C GLY A 9 14.672 -8.276 -0.128 1.00 0.00 C ATOM 115 O GLY A 9 14.937 -9.470 -0.271 1.00 0.00 O ATOM 0 H GLY A 9 11.742 -9.229 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.125 -6.808 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.259 -7.852 1.419 1.00 0.00 H new ATOM 119 N GLY A 10 15.548 -7.305 -0.359 1.00 0.00 N ATOM 120 CA GLY A 10 16.894 -7.609 -0.802 1.00 0.00 C ATOM 121 C GLY A 10 17.911 -6.611 -0.290 1.00 0.00 C ATOM 122 O GLY A 10 17.554 -5.629 0.361 1.00 0.00 O ATOM 0 H GLY A 10 15.349 -6.311 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.168 -8.608 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.920 -7.623 -1.892 1.00 0.00 H new ATOM 126 N LEU A 11 19.181 -6.863 -0.584 1.00 0.00 N ATOM 127 CA LEU A 11 20.255 -5.979 -0.148 1.00 0.00 C ATOM 128 C LEU A 11 20.842 -5.214 -1.327 1.00 0.00 C ATOM 129 O LEU A 11 21.565 -5.779 -2.148 1.00 0.00 O ATOM 130 CB LEU A 11 21.351 -6.784 0.550 1.00 0.00 C ATOM 131 CG LEU A 11 21.239 -6.839 2.074 1.00 0.00 C ATOM 132 CD1 LEU A 11 20.642 -8.164 2.517 1.00 0.00 C ATOM 133 CD2 LEU A 11 22.601 -6.621 2.715 1.00 0.00 C ATOM 0 H LEU A 11 19.492 -7.672 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 11 19.838 -5.259 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.336 -7.803 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.319 -6.357 0.287 1.00 0.00 H new ATOM 0 HG LEU A 11 20.574 -6.039 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 11 20.570 -8.185 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.648 -8.278 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.280 -8.981 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 11 22.504 -6.663 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 11 23.289 -7.398 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 11 22.988 -5.645 2.423 1.00 0.00 H new ATOM 145 N VAL A 12 20.527 -3.926 -1.403 1.00 0.00 N ATOM 146 CA VAL A 12 21.027 -3.080 -2.480 1.00 0.00 C ATOM 147 C VAL A 12 22.017 -2.052 -1.949 1.00 0.00 C ATOM 148 O VAL A 12 22.309 -2.017 -0.756 1.00 0.00 O ATOM 149 CB VAL A 12 19.881 -2.344 -3.206 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.732 -3.294 -3.502 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.399 -1.156 -2.385 1.00 0.00 C ATOM 0 H VAL A 12 19.928 -3.445 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 12 21.528 -3.738 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 12 20.265 -1.970 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.936 -2.754 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 12 19.086 -4.106 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.349 -3.705 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.591 -0.651 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.036 -1.505 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.224 -0.460 -2.233 1.00 0.00 H new ATOM 161 N GLN A 13 22.522 -1.212 -2.842 1.00 0.00 N ATOM 162 CA GLN A 13 23.472 -0.173 -2.465 1.00 0.00 C ATOM 163 C GLN A 13 22.850 1.207 -2.660 1.00 0.00 C ATOM 164 O GLN A 13 21.903 1.355 -3.429 1.00 0.00 O ATOM 165 CB GLN A 13 24.754 -0.297 -3.293 1.00 0.00 C ATOM 166 CG GLN A 13 24.978 -1.685 -3.874 1.00 0.00 C ATOM 167 CD GLN A 13 24.771 -1.731 -5.376 1.00 0.00 C ATOM 168 OE1 GLN A 13 25.236 -0.700 -6.070 1.00 0.00 O flip ATOM 169 NE2 GLN A 13 24.200 -2.684 -5.906 1.00 0.00 N flip ATOM 0 H GLN A 13 22.289 -1.229 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 13 23.724 -0.298 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.721 0.427 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.607 -0.033 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.991 -2.013 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.297 -2.389 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.858 -3.456 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.069 -2.702 -6.917 1.00 0.00 H new ATOM 178 N PRO A 14 23.364 2.237 -1.961 1.00 0.00 N ATOM 179 CA PRO A 14 22.839 3.605 -2.070 1.00 0.00 C ATOM 180 C PRO A 14 22.895 4.131 -3.501 1.00 0.00 C ATOM 181 O PRO A 14 23.829 4.840 -3.878 1.00 0.00 O ATOM 182 CB PRO A 14 23.763 4.421 -1.158 1.00 0.00 C ATOM 183 CG PRO A 14 24.345 3.423 -0.218 1.00 0.00 C ATOM 184 CD PRO A 14 24.486 2.155 -1.009 1.00 0.00 C ATOM 0 HA PRO A 14 21.788 3.662 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.541 4.925 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.210 5.193 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.311 3.758 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.698 3.275 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.447 2.102 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.414 1.272 -0.374 1.00 0.00 H new ATOM 192 N GLY A 15 21.890 3.772 -4.295 1.00 0.00 N ATOM 193 CA GLY A 15 21.839 4.207 -5.678 1.00 0.00 C ATOM 194 C GLY A 15 21.183 3.177 -6.578 1.00 0.00 C ATOM 195 O GLY A 15 20.697 3.506 -7.660 1.00 0.00 O ATOM 0 H GLY A 15 21.108 3.186 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.289 5.146 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.851 4.405 -6.032 1.00 0.00 H new ATOM 199 N GLY A 16 21.168 1.926 -6.124 1.00 0.00 N ATOM 200 CA GLY A 16 20.563 0.857 -6.899 1.00 0.00 C ATOM 201 C GLY A 16 19.052 0.955 -6.930 1.00 0.00 C ATOM 202 O GLY A 16 18.501 2.043 -7.102 1.00 0.00 O ATOM 0 H GLY A 16 21.565 1.634 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.948 0.887 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.854 -0.105 -6.477 1.00 0.00 H new ATOM 206 N SER A 17 18.378 -0.180 -6.761 1.00 0.00 N ATOM 207 CA SER A 17 16.919 -0.209 -6.770 1.00 0.00 C ATOM 208 C SER A 17 16.385 -1.598 -6.429 1.00 0.00 C ATOM 209 O SER A 17 16.880 -2.607 -6.933 1.00 0.00 O ATOM 210 CB SER A 17 16.386 0.227 -8.138 1.00 0.00 C ATOM 211 OG SER A 17 16.430 -0.842 -9.068 1.00 0.00 O ATOM 0 H SER A 17 18.818 -1.089 -6.617 1.00 0.00 H new ATOM 0 HA SER A 17 16.572 0.487 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.361 0.582 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.977 1.063 -8.512 1.00 0.00 H new ATOM 0 HG SER A 17 16.083 -0.538 -9.933 1.00 0.00 H new ATOM 217 N LEU A 18 15.361 -1.635 -5.582 1.00 0.00 N ATOM 218 CA LEU A 18 14.740 -2.892 -5.181 1.00 0.00 C ATOM 219 C LEU A 18 13.265 -2.890 -5.559 1.00 0.00 C ATOM 220 O LEU A 18 12.606 -1.854 -5.512 1.00 0.00 O ATOM 221 CB LEU A 18 14.896 -3.116 -3.671 1.00 0.00 C ATOM 222 CG LEU A 18 13.862 -4.052 -3.032 1.00 0.00 C ATOM 223 CD1 LEU A 18 14.551 -5.205 -2.322 1.00 0.00 C ATOM 224 CD2 LEU A 18 12.982 -3.284 -2.061 1.00 0.00 C ATOM 0 H LEU A 18 14.943 -0.806 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 18 15.241 -3.706 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.891 -3.519 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.843 -2.149 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 18 13.234 -4.461 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.801 -5.858 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.144 -5.772 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.203 -4.814 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.254 -3.962 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.600 -2.849 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.460 -2.489 -2.594 1.00 0.00 H new ATOM 236 N ARG A 19 12.752 -4.053 -5.931 1.00 0.00 N ATOM 237 CA ARG A 19 11.354 -4.179 -6.312 1.00 0.00 C ATOM 238 C ARG A 19 10.656 -5.215 -5.445 1.00 0.00 C ATOM 239 O ARG A 19 10.886 -6.415 -5.596 1.00 0.00 O ATOM 240 CB ARG A 19 11.237 -4.567 -7.787 1.00 0.00 C ATOM 241 CG ARG A 19 9.802 -4.727 -8.261 1.00 0.00 C ATOM 242 CD ARG A 19 9.626 -5.988 -9.093 1.00 0.00 C ATOM 243 NE ARG A 19 10.598 -6.067 -10.181 1.00 0.00 N ATOM 244 CZ ARG A 19 10.566 -5.287 -11.257 1.00 0.00 C ATOM 245 NH1 ARG A 19 9.617 -4.369 -11.388 1.00 0.00 N ATOM 246 NH2 ARG A 19 11.484 -5.423 -12.205 1.00 0.00 N ATOM 0 H ARG A 19 13.283 -4.923 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 19 10.870 -3.214 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.729 -3.807 -8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.772 -5.502 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.135 -4.763 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.514 -3.857 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.729 -6.863 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.617 -6.012 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 19 11.343 -6.760 -10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.909 -4.260 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.595 -3.772 -12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.216 -6.127 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.458 -4.824 -13.030 1.00 0.00 H new ATOM 260 N VAL A 20 9.802 -4.754 -4.539 1.00 0.00 N ATOM 261 CA VAL A 20 9.082 -5.667 -3.663 1.00 0.00 C ATOM 262 C VAL A 20 7.641 -5.834 -4.101 1.00 0.00 C ATOM 263 O VAL A 20 7.139 -5.104 -4.957 1.00 0.00 O ATOM 264 CB VAL A 20 9.130 -5.253 -2.179 1.00 0.00 C ATOM 265 CG1 VAL A 20 7.817 -4.663 -1.712 1.00 0.00 C ATOM 266 CG2 VAL A 20 9.541 -6.435 -1.319 1.00 0.00 C ATOM 0 H VAL A 20 9.593 -3.766 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 20 9.599 -6.622 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 20 9.880 -4.469 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.896 -4.385 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.585 -3.778 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.023 -5.400 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.571 -6.131 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.819 -7.242 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.528 -6.782 -1.625 1.00 0.00 H new ATOM 276 N SER A 21 6.999 -6.816 -3.509 1.00 0.00 N ATOM 277 CA SER A 21 5.606 -7.127 -3.826 1.00 0.00 C ATOM 278 C SER A 21 4.839 -7.601 -2.596 1.00 0.00 C ATOM 279 O SER A 21 5.432 -7.942 -1.574 1.00 0.00 O ATOM 280 CB SER A 21 5.541 -8.195 -4.920 1.00 0.00 C ATOM 281 OG SER A 21 6.525 -9.195 -4.720 1.00 0.00 O ATOM 0 H SER A 21 7.414 -7.421 -2.800 1.00 0.00 H new ATOM 0 HA SER A 21 5.137 -6.210 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.551 -8.652 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.685 -7.730 -5.895 1.00 0.00 H new ATOM 0 HG SER A 21 6.460 -9.865 -5.432 1.00 0.00 H new ATOM 287 N CYS A 22 3.511 -7.618 -2.707 1.00 0.00 N ATOM 288 CA CYS A 22 2.656 -8.052 -1.608 1.00 0.00 C ATOM 289 C CYS A 22 1.428 -8.791 -2.119 1.00 0.00 C ATOM 290 O CYS A 22 0.562 -8.205 -2.765 1.00 0.00 O ATOM 291 CB CYS A 22 2.221 -6.854 -0.763 1.00 0.00 C ATOM 292 SG CYS A 22 1.007 -7.263 0.533 1.00 0.00 S ATOM 0 H CYS A 22 3.006 -7.336 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 22 3.237 -8.737 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.102 -6.413 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.795 -6.095 -1.419 1.00 0.00 H new ATOM 297 N ALA A 23 1.358 -10.083 -1.818 1.00 0.00 N ATOM 298 CA ALA A 23 0.233 -10.904 -2.241 1.00 0.00 C ATOM 299 C ALA A 23 -0.850 -10.947 -1.167 1.00 0.00 C ATOM 300 O ALA A 23 -0.700 -11.622 -0.149 1.00 0.00 O ATOM 301 CB ALA A 23 0.703 -12.312 -2.577 1.00 0.00 C ATOM 0 H ALA A 23 2.068 -10.583 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.197 -10.454 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.149 -12.915 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.435 -12.269 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.161 -12.763 -1.696 1.00 0.00 H new ATOM 307 N ALA A 24 -1.938 -10.217 -1.399 1.00 0.00 N ATOM 308 CA ALA A 24 -3.043 -10.168 -0.447 1.00 0.00 C ATOM 309 C ALA A 24 -4.038 -11.297 -0.695 1.00 0.00 C ATOM 310 O ALA A 24 -3.964 -11.995 -1.707 1.00 0.00 O ATOM 311 CB ALA A 24 -3.745 -8.819 -0.519 1.00 0.00 C ATOM 0 H ALA A 24 -2.078 -9.652 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.630 -10.298 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.567 -8.798 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.036 -8.027 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.136 -8.666 -1.525 1.00 0.00 H new ATOM 317 N SER A 25 -4.969 -11.466 0.238 1.00 0.00 N ATOM 318 CA SER A 25 -5.987 -12.506 0.131 1.00 0.00 C ATOM 319 C SER A 25 -7.266 -12.084 0.846 1.00 0.00 C ATOM 320 O SER A 25 -7.243 -11.733 2.025 1.00 0.00 O ATOM 321 CB SER A 25 -5.469 -13.821 0.717 1.00 0.00 C ATOM 322 OG SER A 25 -6.388 -14.877 0.491 1.00 0.00 O ATOM 0 H SER A 25 -5.040 -10.894 1.080 1.00 0.00 H new ATOM 0 HA SER A 25 -6.212 -12.654 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.507 -14.069 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.300 -13.704 1.788 1.00 0.00 H new ATOM 0 HG SER A 25 -6.033 -15.707 0.873 1.00 0.00 H new ATOM 328 N GLY A 26 -8.378 -12.117 0.121 1.00 0.00 N ATOM 329 CA GLY A 26 -9.654 -11.731 0.696 1.00 0.00 C ATOM 330 C GLY A 26 -10.471 -10.874 -0.249 1.00 0.00 C ATOM 331 O GLY A 26 -11.523 -11.297 -0.728 1.00 0.00 O ATOM 0 H GLY A 26 -8.419 -12.405 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.220 -12.626 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.482 -11.184 1.623 1.00 0.00 H new ATOM 335 N PHE A 27 -9.983 -9.667 -0.523 1.00 0.00 N ATOM 336 CA PHE A 27 -10.672 -8.751 -1.424 1.00 0.00 C ATOM 337 C PHE A 27 -9.887 -8.584 -2.719 1.00 0.00 C ATOM 338 O PHE A 27 -8.811 -9.156 -2.877 1.00 0.00 O ATOM 339 CB PHE A 27 -10.895 -7.391 -0.744 1.00 0.00 C ATOM 340 CG PHE A 27 -9.661 -6.532 -0.625 1.00 0.00 C ATOM 341 CD1 PHE A 27 -9.199 -5.796 -1.706 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.974 -6.452 0.576 1.00 0.00 C ATOM 343 CE1 PHE A 27 -8.078 -5.000 -1.592 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.849 -5.657 0.694 1.00 0.00 C ATOM 345 CZ PHE A 27 -7.401 -4.930 -0.392 1.00 0.00 C ATOM 0 H PHE A 27 -9.114 -9.302 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.646 -9.175 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.651 -6.840 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.299 -7.562 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.723 -5.847 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.321 -7.017 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.730 -4.432 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.321 -5.604 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.523 -4.308 -0.302 1.00 0.00 H new ATOM 355 N THR A 28 -10.428 -7.795 -3.643 1.00 0.00 N ATOM 356 CA THR A 28 -9.768 -7.556 -4.921 1.00 0.00 C ATOM 357 C THR A 28 -8.549 -6.649 -4.746 1.00 0.00 C ATOM 358 O THR A 28 -7.613 -6.999 -4.028 1.00 0.00 O ATOM 359 CB THR A 28 -10.734 -6.934 -5.946 1.00 0.00 C ATOM 360 OG1 THR A 28 -12.036 -7.516 -5.811 1.00 0.00 O ATOM 361 CG2 THR A 28 -10.223 -7.141 -7.365 1.00 0.00 C ATOM 0 H THR A 28 -11.319 -7.312 -3.530 1.00 0.00 H new ATOM 0 HA THR A 28 -9.439 -8.524 -5.299 1.00 0.00 H new ATOM 0 HB THR A 28 -10.795 -5.863 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.644 -7.113 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.921 -6.693 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.246 -6.670 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.135 -8.208 -7.568 1.00 0.00 H new ATOM 369 N PHE A 29 -8.563 -5.486 -5.397 1.00 0.00 N ATOM 370 CA PHE A 29 -7.458 -4.540 -5.302 1.00 0.00 C ATOM 371 C PHE A 29 -7.836 -3.202 -5.929 1.00 0.00 C ATOM 372 O PHE A 29 -7.839 -2.170 -5.257 1.00 0.00 O ATOM 373 CB PHE A 29 -6.210 -5.107 -5.983 1.00 0.00 C ATOM 374 CG PHE A 29 -5.008 -5.141 -5.085 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.796 -6.207 -4.225 1.00 0.00 C ATOM 376 CD2 PHE A 29 -4.093 -4.103 -5.096 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.694 -6.236 -3.395 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.989 -4.126 -4.269 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.789 -5.195 -3.416 1.00 0.00 C ATOM 0 H PHE A 29 -9.329 -5.179 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.240 -4.377 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.423 -6.117 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.980 -4.507 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.501 -7.024 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.245 -3.265 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.540 -7.073 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.282 -3.310 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.926 -5.215 -2.767 1.00 0.00 H new ATOM 389 N SER A 30 -8.163 -3.228 -7.219 1.00 0.00 N ATOM 390 CA SER A 30 -8.552 -2.017 -7.933 1.00 0.00 C ATOM 391 C SER A 30 -9.904 -1.518 -7.438 1.00 0.00 C ATOM 392 O SER A 30 -10.265 -0.359 -7.643 1.00 0.00 O ATOM 393 CB SER A 30 -8.613 -2.281 -9.438 1.00 0.00 C ATOM 394 OG SER A 30 -9.462 -1.348 -10.087 1.00 0.00 O ATOM 0 H SER A 30 -8.166 -4.074 -7.789 1.00 0.00 H new ATOM 0 HA SER A 30 -7.802 -1.250 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.611 -2.221 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.975 -3.293 -9.618 1.00 0.00 H new ATOM 0 HG SER A 30 -9.482 -1.538 -11.048 1.00 0.00 H new ATOM 400 N SER A 31 -10.646 -2.403 -6.779 1.00 0.00 N ATOM 401 CA SER A 31 -11.959 -2.058 -6.247 1.00 0.00 C ATOM 402 C SER A 31 -11.823 -1.351 -4.903 1.00 0.00 C ATOM 403 O SER A 31 -12.676 -0.550 -4.520 1.00 0.00 O ATOM 404 CB SER A 31 -12.816 -3.316 -6.093 1.00 0.00 C ATOM 405 OG SER A 31 -13.800 -3.144 -5.088 1.00 0.00 O ATOM 0 H SER A 31 -10.359 -3.366 -6.601 1.00 0.00 H new ATOM 0 HA SER A 31 -12.447 -1.382 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.298 -3.549 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.180 -4.165 -5.842 1.00 0.00 H new ATOM 0 HG SER A 31 -13.418 -3.371 -4.214 1.00 0.00 H new ATOM 411 N TYR A 32 -10.742 -1.654 -4.192 1.00 0.00 N ATOM 412 CA TYR A 32 -10.483 -1.051 -2.891 1.00 0.00 C ATOM 413 C TYR A 32 -9.262 -0.141 -2.954 1.00 0.00 C ATOM 414 O TYR A 32 -8.753 0.159 -4.034 1.00 0.00 O ATOM 415 CB TYR A 32 -10.260 -2.138 -1.836 1.00 0.00 C ATOM 416 CG TYR A 32 -11.517 -2.887 -1.456 1.00 0.00 C ATOM 417 CD1 TYR A 32 -12.123 -3.764 -2.346 1.00 0.00 C ATOM 418 CD2 TYR A 32 -12.095 -2.721 -0.204 1.00 0.00 C ATOM 419 CE1 TYR A 32 -13.270 -4.454 -2.000 1.00 0.00 C ATOM 420 CE2 TYR A 32 -13.241 -3.408 0.151 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.825 -4.273 -0.751 1.00 0.00 C ATOM 422 OH TYR A 32 -14.966 -4.958 -0.403 1.00 0.00 O ATOM 0 H TYR A 32 -10.029 -2.316 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 32 -11.353 -0.455 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.524 -2.849 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.836 -1.682 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.691 -3.910 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.641 -2.044 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.729 -5.132 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.677 -3.268 1.129 1.00 0.00 H new ATOM 0 HH TYR A 32 -15.226 -4.718 0.511 1.00 0.00 H new ATOM 432 N HIS A 33 -8.790 0.287 -1.787 1.00 0.00 N ATOM 433 CA HIS A 33 -7.620 1.154 -1.705 1.00 0.00 C ATOM 434 C HIS A 33 -6.435 0.384 -1.132 1.00 0.00 C ATOM 435 O HIS A 33 -6.615 -0.557 -0.362 1.00 0.00 O ATOM 436 CB HIS A 33 -7.921 2.375 -0.835 1.00 0.00 C ATOM 437 CG HIS A 33 -9.137 3.134 -1.268 1.00 0.00 C ATOM 438 ND1 HIS A 33 -10.416 2.629 -1.166 1.00 0.00 N ATOM 439 CD2 HIS A 33 -9.265 4.369 -1.810 1.00 0.00 C ATOM 440 CE1 HIS A 33 -11.277 3.518 -1.629 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.605 4.583 -2.024 1.00 0.00 N ATOM 0 H HIS A 33 -9.200 0.047 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.369 1.494 -2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.053 2.051 0.197 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.060 3.044 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.463 5.057 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.349 3.394 -1.676 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.014 5.428 -2.423 1.00 0.00 H new ATOM 450 N MET A 34 -5.227 0.783 -1.515 1.00 0.00 N ATOM 451 CA MET A 34 -4.023 0.118 -1.033 1.00 0.00 C ATOM 452 C MET A 34 -2.891 1.114 -0.820 1.00 0.00 C ATOM 453 O MET A 34 -2.940 2.242 -1.313 1.00 0.00 O ATOM 454 CB MET A 34 -3.588 -0.967 -2.017 1.00 0.00 C ATOM 455 CG MET A 34 -4.066 -2.356 -1.627 1.00 0.00 C ATOM 456 SD MET A 34 -2.926 -3.195 -0.511 1.00 0.00 S ATOM 457 CE MET A 34 -3.833 -4.700 -0.173 1.00 0.00 C ATOM 0 H MET A 34 -5.056 1.559 -2.154 1.00 0.00 H new ATOM 0 HA MET A 34 -4.255 -0.342 -0.073 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.970 -0.723 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.500 -0.970 -2.086 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.044 -2.279 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.196 -2.957 -2.527 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.273 -4.644 0.823 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.624 -4.822 -0.913 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.155 -5.552 -0.223 1.00 0.00 H new ATOM 467 N ALA A 35 -1.873 0.690 -0.077 1.00 0.00 N ATOM 468 CA ALA A 35 -0.731 1.547 0.207 1.00 0.00 C ATOM 469 C ALA A 35 0.465 0.741 0.700 1.00 0.00 C ATOM 470 O ALA A 35 0.308 -0.351 1.254 1.00 0.00 O ATOM 471 CB ALA A 35 -1.114 2.599 1.235 1.00 0.00 C ATOM 0 H ALA A 35 -1.817 -0.240 0.338 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.440 2.038 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.254 3.236 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.931 3.207 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.432 2.109 2.155 1.00 0.00 H new ATOM 477 N TRP A 36 1.659 1.293 0.499 1.00 0.00 N ATOM 478 CA TRP A 36 2.892 0.641 0.926 1.00 0.00 C ATOM 479 C TRP A 36 3.536 1.415 2.064 1.00 0.00 C ATOM 480 O TRP A 36 3.959 2.556 1.883 1.00 0.00 O ATOM 481 CB TRP A 36 3.864 0.524 -0.246 1.00 0.00 C ATOM 482 CG TRP A 36 3.711 -0.761 -0.986 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.018 -0.962 -2.139 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.260 -2.026 -0.617 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.077 -2.286 -2.504 1.00 0.00 N ATOM 486 CE2 TRP A 36 3.849 -2.959 -1.588 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.057 -2.460 0.444 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.214 -4.300 -1.525 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.419 -3.789 0.501 1.00 0.00 C ATOM 490 CH2 TRP A 36 4.999 -4.696 -0.477 1.00 0.00 C ATOM 0 H TRP A 36 1.798 2.194 0.041 1.00 0.00 H new ATOM 0 HA TRP A 36 2.647 -0.360 1.280 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.704 1.356 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.886 0.608 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.497 -0.192 -2.689 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.624 -2.700 -3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.384 -1.768 1.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.889 -5.004 -2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.038 -4.136 1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.301 -5.730 -0.403 1.00 0.00 H new ATOM 501 N VAL A 37 3.603 0.785 3.234 1.00 0.00 N ATOM 502 CA VAL A 37 4.181 1.420 4.409 1.00 0.00 C ATOM 503 C VAL A 37 5.591 0.916 4.685 1.00 0.00 C ATOM 504 O VAL A 37 6.011 -0.117 4.165 1.00 0.00 O ATOM 505 CB VAL A 37 3.313 1.181 5.665 1.00 0.00 C ATOM 506 CG1 VAL A 37 1.880 1.617 5.423 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.360 -0.278 6.091 1.00 0.00 C ATOM 0 H VAL A 37 3.264 -0.164 3.391 1.00 0.00 H new ATOM 0 HA VAL A 37 4.219 2.488 4.193 1.00 0.00 H new ATOM 0 HB VAL A 37 3.724 1.785 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.289 1.439 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.859 2.679 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.461 1.047 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.741 -0.418 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.984 -0.905 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.389 -0.557 6.319 1.00 0.00 H new ATOM 517 N ARG A 38 6.315 1.665 5.507 1.00 0.00 N ATOM 518 CA ARG A 38 7.682 1.321 5.862 1.00 0.00 C ATOM 519 C ARG A 38 7.924 1.568 7.348 1.00 0.00 C ATOM 520 O ARG A 38 7.331 2.469 7.937 1.00 0.00 O ATOM 521 CB ARG A 38 8.657 2.143 5.016 1.00 0.00 C ATOM 522 CG ARG A 38 10.084 2.141 5.535 1.00 0.00 C ATOM 523 CD ARG A 38 10.754 3.485 5.307 1.00 0.00 C ATOM 524 NE ARG A 38 10.143 4.543 6.110 1.00 0.00 N ATOM 525 CZ ARG A 38 10.700 5.734 6.311 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.874 6.023 5.764 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.083 6.639 7.057 1.00 0.00 N ATOM 0 H ARG A 38 5.973 2.521 5.943 1.00 0.00 H new ATOM 0 HA ARG A 38 7.846 0.262 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.652 1.756 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.301 3.172 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.086 1.907 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.654 1.358 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.813 3.409 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.690 3.748 4.251 1.00 0.00 H new ATOM 0 HE ARG A 38 9.237 4.357 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.352 5.331 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.298 6.937 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.180 6.423 7.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.512 7.552 7.210 1.00 0.00 H new ATOM 541 N GLN A 39 8.790 0.759 7.948 1.00 0.00 N ATOM 542 CA GLN A 39 9.097 0.890 9.365 1.00 0.00 C ATOM 543 C GLN A 39 10.590 0.723 9.619 1.00 0.00 C ATOM 544 O GLN A 39 11.117 -0.389 9.578 1.00 0.00 O ATOM 545 CB GLN A 39 8.310 -0.145 10.171 1.00 0.00 C ATOM 546 CG GLN A 39 8.047 0.277 11.609 1.00 0.00 C ATOM 547 CD GLN A 39 6.942 -0.530 12.264 1.00 0.00 C ATOM 548 OE1 GLN A 39 6.297 -1.358 11.621 1.00 0.00 O ATOM 549 NE2 GLN A 39 6.717 -0.291 13.551 1.00 0.00 N ATOM 0 H GLN A 39 9.291 0.007 7.475 1.00 0.00 H new ATOM 0 HA GLN A 39 8.806 1.891 9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.357 -0.332 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.859 -1.087 10.172 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.964 0.168 12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.781 1.334 11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.276 0.404 14.046 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.986 -0.803 14.045 1.00 0.00 H new ATOM 558 N ALA A 40 11.267 1.835 9.887 1.00 0.00 N ATOM 559 CA ALA A 40 12.699 1.813 10.152 1.00 0.00 C ATOM 560 C ALA A 40 12.982 1.295 11.560 1.00 0.00 C ATOM 561 O ALA A 40 12.143 1.420 12.451 1.00 0.00 O ATOM 562 CB ALA A 40 13.293 3.201 9.964 1.00 0.00 C ATOM 0 H ALA A 40 10.845 2.763 9.926 1.00 0.00 H new ATOM 0 HA ALA A 40 13.169 1.134 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.364 3.169 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.126 3.532 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.815 3.898 10.653 1.00 0.00 H new ATOM 618 N LEU A 45 6.663 3.363 11.834 1.00 0.00 N ATOM 619 CA LEU A 45 6.021 3.056 10.557 1.00 0.00 C ATOM 620 C LEU A 45 5.598 4.333 9.828 1.00 0.00 C ATOM 621 O LEU A 45 5.511 5.406 10.425 1.00 0.00 O ATOM 622 CB LEU A 45 4.809 2.145 10.775 1.00 0.00 C ATOM 623 CG LEU A 45 4.326 1.383 9.537 1.00 0.00 C ATOM 624 CD1 LEU A 45 3.942 -0.044 9.899 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.151 2.108 8.905 1.00 0.00 C ATOM 0 HA LEU A 45 6.748 2.536 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.055 1.422 11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.985 2.750 11.152 1.00 0.00 H new ATOM 0 HG LEU A 45 5.141 1.341 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.602 -0.567 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.808 -0.560 10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.141 -0.029 10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.815 1.559 8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.335 2.175 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.458 3.111 8.610 1.00 0.00 H new ATOM 637 N GLU A 46 5.334 4.200 8.530 1.00 0.00 N ATOM 638 CA GLU A 46 4.915 5.329 7.703 1.00 0.00 C ATOM 639 C GLU A 46 4.228 4.828 6.435 1.00 0.00 C ATOM 640 O GLU A 46 4.787 4.010 5.707 1.00 0.00 O ATOM 641 CB GLU A 46 6.121 6.201 7.338 1.00 0.00 C ATOM 642 CG GLU A 46 5.842 7.197 6.224 1.00 0.00 C ATOM 643 CD GLU A 46 6.101 8.631 6.646 1.00 0.00 C ATOM 644 OE1 GLU A 46 7.285 9.019 6.733 1.00 0.00 O ATOM 645 OE2 GLU A 46 5.120 9.365 6.885 1.00 0.00 O ATOM 0 H GLU A 46 5.403 3.316 8.026 1.00 0.00 H new ATOM 0 HA GLU A 46 4.208 5.932 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.447 6.744 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.947 5.556 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.465 6.957 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.805 7.098 5.904 1.00 0.00 H new ATOM 652 N TRP A 47 3.015 5.312 6.183 1.00 0.00 N ATOM 653 CA TRP A 47 2.254 4.895 5.007 1.00 0.00 C ATOM 654 C TRP A 47 3.072 5.047 3.724 1.00 0.00 C ATOM 655 O TRP A 47 2.808 4.361 2.745 1.00 0.00 O ATOM 656 CB TRP A 47 0.926 5.668 4.922 1.00 0.00 C ATOM 657 CG TRP A 47 0.707 6.387 3.624 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.418 5.828 2.410 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.749 7.802 3.413 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.301 6.810 1.459 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.491 8.029 2.050 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.983 8.900 4.246 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.461 9.308 1.499 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.951 10.169 3.699 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.691 10.363 2.337 1.00 0.00 C ATOM 0 H TRP A 47 2.538 5.992 6.775 1.00 0.00 H new ATOM 0 HA TRP A 47 2.024 3.835 5.114 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.103 4.970 5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.889 6.393 5.735 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.299 4.770 2.227 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.104 6.656 0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.185 8.759 5.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.263 9.460 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.130 11.025 4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.672 11.367 1.940 1.00 0.00 H new ATOM 676 N VAL A 48 4.064 5.932 3.745 1.00 0.00 N ATOM 677 CA VAL A 48 4.932 6.161 2.584 1.00 0.00 C ATOM 678 C VAL A 48 4.140 6.539 1.327 1.00 0.00 C ATOM 679 O VAL A 48 4.131 7.703 0.928 1.00 0.00 O ATOM 680 CB VAL A 48 5.834 4.929 2.294 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.237 4.845 0.824 1.00 0.00 C ATOM 682 CG2 VAL A 48 7.079 4.970 3.163 1.00 0.00 C ATOM 0 H VAL A 48 4.291 6.507 4.556 1.00 0.00 H new ATOM 0 HA VAL A 48 5.568 7.007 2.844 1.00 0.00 H new ATOM 0 HB VAL A 48 5.249 4.040 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.867 3.969 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.343 4.764 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.790 5.743 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.701 4.101 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.641 5.880 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.790 4.959 4.214 1.00 0.00 H new ATOM 692 N SER A 49 3.507 5.559 0.679 1.00 0.00 N ATOM 693 CA SER A 49 2.769 5.837 -0.552 1.00 0.00 C ATOM 694 C SER A 49 1.387 5.189 -0.582 1.00 0.00 C ATOM 695 O SER A 49 1.171 4.120 -0.013 1.00 0.00 O ATOM 696 CB SER A 49 3.585 5.359 -1.753 1.00 0.00 C ATOM 697 OG SER A 49 3.908 3.986 -1.633 1.00 0.00 O ATOM 0 H SER A 49 3.490 4.584 0.979 1.00 0.00 H new ATOM 0 HA SER A 49 2.614 6.915 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.020 5.524 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.500 5.946 -1.832 1.00 0.00 H new ATOM 0 HG SER A 49 3.445 3.608 -0.857 1.00 0.00 H new ATOM 703 N THR A 50 0.462 5.858 -1.271 1.00 0.00 N ATOM 704 CA THR A 50 -0.910 5.381 -1.418 1.00 0.00 C ATOM 705 C THR A 50 -1.359 5.527 -2.869 1.00 0.00 C ATOM 706 O THR A 50 -0.973 6.475 -3.553 1.00 0.00 O ATOM 707 CB THR A 50 -1.884 6.159 -0.497 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.996 5.492 0.764 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.269 6.291 -1.115 1.00 0.00 C ATOM 0 H THR A 50 0.644 6.744 -1.742 1.00 0.00 H new ATOM 0 HA THR A 50 -0.929 4.331 -1.127 1.00 0.00 H new ATOM 0 HB THR A 50 -1.475 7.160 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.442 5.953 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.919 6.843 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.195 6.826 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.685 5.299 -1.290 1.00 0.00 H new ATOM 717 N ILE A 51 -2.172 4.587 -3.335 1.00 0.00 N ATOM 718 CA ILE A 51 -2.662 4.624 -4.704 1.00 0.00 C ATOM 719 C ILE A 51 -4.185 4.601 -4.748 1.00 0.00 C ATOM 720 O ILE A 51 -4.831 3.948 -3.929 1.00 0.00 O ATOM 721 CB ILE A 51 -2.108 3.443 -5.524 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.550 3.551 -6.985 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.553 2.120 -4.920 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.508 3.054 -7.963 1.00 0.00 C ATOM 0 H ILE A 51 -2.504 3.794 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.311 5.558 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.019 3.481 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.469 2.981 -7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.784 4.591 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.153 1.297 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.184 2.045 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.642 2.069 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.885 3.159 -8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.596 3.640 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.292 2.005 -7.762 1.00 0.00 H new ATOM 736 N ASN A 52 -4.753 5.319 -5.713 1.00 0.00 N ATOM 737 CA ASN A 52 -6.200 5.380 -5.869 1.00 0.00 C ATOM 738 C ASN A 52 -6.700 4.193 -6.688 1.00 0.00 C ATOM 739 O ASN A 52 -6.020 3.737 -7.606 1.00 0.00 O ATOM 740 CB ASN A 52 -6.608 6.691 -6.545 1.00 0.00 C ATOM 741 CG ASN A 52 -7.772 7.364 -5.843 1.00 0.00 C ATOM 742 OD1 ASN A 52 -7.858 7.359 -4.616 1.00 0.00 O ATOM 743 ND2 ASN A 52 -8.676 7.945 -6.622 1.00 0.00 N ATOM 0 H ASN A 52 -4.232 5.866 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.654 5.338 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.755 7.369 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.878 6.493 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.482 8.412 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.564 7.925 -7.636 1.00 0.00 H new ATOM 750 N PRO A 53 -7.898 3.672 -6.362 1.00 0.00 N ATOM 751 CA PRO A 53 -8.483 2.528 -7.069 1.00 0.00 C ATOM 752 C PRO A 53 -8.508 2.725 -8.581 1.00 0.00 C ATOM 753 O PRO A 53 -9.099 3.681 -9.085 1.00 0.00 O ATOM 754 CB PRO A 53 -9.915 2.441 -6.515 1.00 0.00 C ATOM 755 CG PRO A 53 -10.131 3.703 -5.747 1.00 0.00 C ATOM 756 CD PRO A 53 -8.775 4.145 -5.284 1.00 0.00 C ATOM 0 HA PRO A 53 -7.899 1.621 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.641 2.345 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.034 1.568 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.597 4.465 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.796 3.535 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.721 5.227 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.511 3.703 -4.323 1.00 0.00 H new ATOM 764 N GLY A 54 -7.864 1.807 -9.298 1.00 0.00 N ATOM 765 CA GLY A 54 -7.822 1.888 -10.745 1.00 0.00 C ATOM 766 C GLY A 54 -6.578 2.590 -11.252 1.00 0.00 C ATOM 767 O GLY A 54 -6.549 3.069 -12.386 1.00 0.00 O ATOM 0 H GLY A 54 -7.370 1.008 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.863 0.882 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.705 2.418 -11.102 1.00 0.00 H new ATOM 771 N ASP A 55 -5.549 2.649 -10.410 1.00 0.00 N ATOM 772 CA ASP A 55 -4.294 3.298 -10.774 1.00 0.00 C ATOM 773 C ASP A 55 -4.540 4.728 -11.249 1.00 0.00 C ATOM 774 O ASP A 55 -4.293 5.060 -12.409 1.00 0.00 O ATOM 775 CB ASP A 55 -3.576 2.496 -11.863 1.00 0.00 C ATOM 776 CG ASP A 55 -2.187 3.028 -12.154 1.00 0.00 C ATOM 777 OD1 ASP A 55 -1.280 2.803 -11.325 1.00 0.00 O ATOM 778 OD2 ASP A 55 -2.006 3.670 -13.211 1.00 0.00 O ATOM 0 H ASP A 55 -5.561 2.254 -9.470 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.661 3.335 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.505 1.453 -11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.169 2.518 -12.777 1.00 0.00 H new ATOM 783 N GLY A 56 -5.033 5.568 -10.345 1.00 0.00 N ATOM 784 CA GLY A 56 -5.309 6.950 -10.687 1.00 0.00 C ATOM 785 C GLY A 56 -4.294 7.909 -10.099 1.00 0.00 C ATOM 786 O GLY A 56 -3.137 7.934 -10.519 1.00 0.00 O ATOM 0 H GLY A 56 -5.246 5.315 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.319 7.057 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.304 7.217 -10.331 1.00 0.00 H new ATOM 790 N SER A 57 -4.728 8.701 -9.123 1.00 0.00 N ATOM 791 CA SER A 57 -3.850 9.667 -8.474 1.00 0.00 C ATOM 792 C SER A 57 -2.973 8.982 -7.433 1.00 0.00 C ATOM 793 O SER A 57 -3.319 7.918 -6.919 1.00 0.00 O ATOM 794 CB SER A 57 -4.674 10.776 -7.816 1.00 0.00 C ATOM 795 OG SER A 57 -5.022 11.779 -8.753 1.00 0.00 O ATOM 0 H SER A 57 -5.683 8.692 -8.765 1.00 0.00 H new ATOM 0 HA SER A 57 -3.206 10.108 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.579 10.351 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.105 11.219 -6.999 1.00 0.00 H new ATOM 0 HG SER A 57 -5.549 12.474 -8.307 1.00 0.00 H new ATOM 801 N THR A 58 -1.835 9.596 -7.127 1.00 0.00 N ATOM 802 CA THR A 58 -0.907 9.041 -6.150 1.00 0.00 C ATOM 803 C THR A 58 -0.591 10.049 -5.051 1.00 0.00 C ATOM 804 O THR A 58 -0.479 11.249 -5.307 1.00 0.00 O ATOM 805 CB THR A 58 0.407 8.596 -6.815 1.00 0.00 C ATOM 806 OG1 THR A 58 0.394 8.936 -8.207 1.00 0.00 O ATOM 807 CG2 THR A 58 0.614 7.098 -6.656 1.00 0.00 C ATOM 0 H THR A 58 -1.534 10.478 -7.542 1.00 0.00 H new ATOM 0 HA THR A 58 -1.397 8.173 -5.710 1.00 0.00 H new ATOM 0 HB THR A 58 1.230 9.115 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.235 8.650 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.549 6.807 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.655 6.847 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.214 6.565 -7.124 1.00 0.00 H new ATOM 815 N TYR A 59 -0.445 9.551 -3.827 1.00 0.00 N ATOM 816 CA TYR A 59 -0.138 10.402 -2.684 1.00 0.00 C ATOM 817 C TYR A 59 1.007 9.811 -1.869 1.00 0.00 C ATOM 818 O TYR A 59 0.969 8.642 -1.489 1.00 0.00 O ATOM 819 CB TYR A 59 -1.374 10.572 -1.795 1.00 0.00 C ATOM 820 CG TYR A 59 -2.676 10.613 -2.562 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.133 11.795 -3.130 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.450 9.469 -2.718 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.322 11.837 -3.831 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.640 9.503 -3.418 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.072 10.689 -3.973 1.00 0.00 C ATOM 826 OH TYR A 59 -6.256 10.727 -4.671 1.00 0.00 O ATOM 0 H TYR A 59 -0.535 8.560 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 59 0.165 11.379 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.411 9.751 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.273 11.492 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.549 12.697 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.115 8.538 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.663 12.765 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.229 8.605 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.660 9.834 -4.679 1.00 0.00 H new ATOM 836 N TYR A 60 2.023 10.624 -1.605 1.00 0.00 N ATOM 837 CA TYR A 60 3.177 10.175 -0.836 1.00 0.00 C ATOM 838 C TYR A 60 3.327 10.994 0.442 1.00 0.00 C ATOM 839 O TYR A 60 2.701 12.043 0.594 1.00 0.00 O ATOM 840 CB TYR A 60 4.450 10.270 -1.680 1.00 0.00 C ATOM 841 CG TYR A 60 4.498 9.274 -2.822 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.595 9.350 -3.875 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.445 8.258 -2.844 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.635 8.444 -4.917 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.491 7.348 -3.882 1.00 0.00 C ATOM 846 CZ TYR A 60 4.584 7.444 -4.915 1.00 0.00 C ATOM 847 OH TYR A 60 4.627 6.540 -5.950 1.00 0.00 O ATOM 0 H TYR A 60 2.071 11.596 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 60 3.018 9.133 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.533 11.279 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.315 10.113 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.849 10.131 -3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.157 8.178 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.927 8.519 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.235 6.565 -3.884 1.00 0.00 H new ATOM 0 HH TYR A 60 5.219 6.877 -6.655 1.00 0.00 H new ATOM 857 N ALA A 61 4.154 10.504 1.361 1.00 0.00 N ATOM 858 CA ALA A 61 4.380 11.187 2.628 1.00 0.00 C ATOM 859 C ALA A 61 5.345 12.356 2.468 1.00 0.00 C ATOM 860 O ALA A 61 5.856 12.888 3.456 1.00 0.00 O ATOM 861 CB ALA A 61 4.903 10.204 3.665 1.00 0.00 C ATOM 0 H ALA A 61 4.678 9.636 1.251 1.00 0.00 H new ATOM 0 HA ALA A 61 3.426 11.591 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.069 10.724 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.173 9.408 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.843 9.774 3.318 1.00 0.00 H new ATOM 867 N ASP A 62 5.590 12.749 1.216 1.00 0.00 N ATOM 868 CA ASP A 62 6.494 13.859 0.900 1.00 0.00 C ATOM 869 C ASP A 62 7.955 13.469 1.115 1.00 0.00 C ATOM 870 O ASP A 62 8.849 14.006 0.462 1.00 0.00 O ATOM 871 CB ASP A 62 6.153 15.098 1.736 1.00 0.00 C ATOM 872 CG ASP A 62 4.666 15.393 1.754 1.00 0.00 C ATOM 873 OD1 ASP A 62 4.139 15.852 0.718 1.00 0.00 O ATOM 874 OD2 ASP A 62 4.029 15.166 2.804 1.00 0.00 O ATOM 0 H ASP A 62 5.170 12.310 0.396 1.00 0.00 H new ATOM 0 HA ASP A 62 6.357 14.098 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.504 14.951 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.687 15.960 1.337 1.00 0.00 H new ATOM 879 N SER A 63 8.194 12.532 2.028 1.00 0.00 N ATOM 880 CA SER A 63 9.548 12.077 2.317 1.00 0.00 C ATOM 881 C SER A 63 9.928 10.906 1.419 1.00 0.00 C ATOM 882 O SER A 63 11.088 10.497 1.373 1.00 0.00 O ATOM 883 CB SER A 63 9.670 11.667 3.787 1.00 0.00 C ATOM 884 OG SER A 63 8.743 12.374 4.593 1.00 0.00 O ATOM 0 H SER A 63 7.468 12.074 2.579 1.00 0.00 H new ATOM 0 HA SER A 63 10.232 12.902 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.498 10.595 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.684 11.860 4.139 1.00 0.00 H new ATOM 0 HG SER A 63 8.840 12.093 5.527 1.00 0.00 H new ATOM 890 N VAL A 64 8.942 10.369 0.705 1.00 0.00 N ATOM 891 CA VAL A 64 9.178 9.243 -0.190 1.00 0.00 C ATOM 892 C VAL A 64 8.717 9.553 -1.612 1.00 0.00 C ATOM 893 O VAL A 64 8.621 8.654 -2.453 1.00 0.00 O ATOM 894 CB VAL A 64 8.465 7.972 0.297 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.995 7.547 1.656 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.966 8.195 0.349 1.00 0.00 C ATOM 0 H VAL A 64 7.976 10.695 0.729 1.00 0.00 H new ATOM 0 HA VAL A 64 10.254 9.071 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 64 8.668 7.168 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.477 6.645 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.064 7.345 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.825 8.345 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.475 7.286 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.743 9.012 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.601 8.448 -0.647 1.00 0.00 H new ATOM 906 N LYS A 65 8.443 10.825 -1.877 1.00 0.00 N ATOM 907 CA LYS A 65 7.998 11.253 -3.198 1.00 0.00 C ATOM 908 C LYS A 65 9.193 11.492 -4.112 1.00 0.00 C ATOM 909 O LYS A 65 10.074 12.295 -3.803 1.00 0.00 O ATOM 910 CB LYS A 65 7.151 12.524 -3.093 1.00 0.00 C ATOM 911 CG LYS A 65 6.521 12.948 -4.410 1.00 0.00 C ATOM 912 CD LYS A 65 5.203 12.229 -4.660 1.00 0.00 C ATOM 913 CE LYS A 65 4.329 12.993 -5.641 1.00 0.00 C ATOM 914 NZ LYS A 65 3.634 12.081 -6.590 1.00 0.00 N ATOM 0 H LYS A 65 8.521 11.579 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 65 7.385 10.460 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.362 12.365 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.775 13.336 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.353 14.025 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.211 12.739 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.400 11.230 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.671 12.105 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.591 13.577 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.942 13.700 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.048 12.640 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.339 11.542 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.029 11.423 -6.059 1.00 0.00 H new ATOM 928 N GLY A 66 9.223 10.778 -5.231 1.00 0.00 N ATOM 929 CA GLY A 66 10.321 10.915 -6.166 1.00 0.00 C ATOM 930 C GLY A 66 11.364 9.834 -5.973 1.00 0.00 C ATOM 931 O GLY A 66 12.258 9.665 -6.803 1.00 0.00 O ATOM 0 H GLY A 66 8.506 10.107 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.938 10.872 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.785 11.894 -6.041 1.00 0.00 H new ATOM 935 N ARG A 67 11.242 9.097 -4.872 1.00 0.00 N ATOM 936 CA ARG A 67 12.174 8.020 -4.562 1.00 0.00 C ATOM 937 C ARG A 67 11.514 6.660 -4.742 1.00 0.00 C ATOM 938 O ARG A 67 12.072 5.768 -5.381 1.00 0.00 O ATOM 939 CB ARG A 67 12.689 8.142 -3.125 1.00 0.00 C ATOM 940 CG ARG A 67 11.703 8.785 -2.173 1.00 0.00 C ATOM 941 CD ARG A 67 12.260 10.072 -1.585 1.00 0.00 C ATOM 942 NE ARG A 67 12.405 11.116 -2.595 1.00 0.00 N ATOM 943 CZ ARG A 67 13.015 12.278 -2.376 1.00 0.00 C ATOM 944 NH1 ARG A 67 13.532 12.547 -1.185 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.104 13.176 -3.350 1.00 0.00 N ATOM 0 H ARG A 67 10.505 9.228 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 67 13.012 8.105 -5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.942 7.149 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.610 8.725 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.772 8.996 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.464 8.089 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.600 10.424 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.229 9.872 -1.128 1.00 0.00 H new ATOM 0 HE ARG A 67 12.016 10.945 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.463 11.862 -0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.999 13.439 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.705 12.975 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.572 14.067 -3.181 1.00 0.00 H new ATOM 959 N PHE A 68 10.330 6.502 -4.160 1.00 0.00 N ATOM 960 CA PHE A 68 9.608 5.240 -4.246 1.00 0.00 C ATOM 961 C PHE A 68 8.442 5.327 -5.221 1.00 0.00 C ATOM 962 O PHE A 68 7.871 6.395 -5.435 1.00 0.00 O ATOM 963 CB PHE A 68 9.095 4.829 -2.863 1.00 0.00 C ATOM 964 CG PHE A 68 10.180 4.438 -1.893 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.505 4.338 -2.298 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.869 4.167 -0.571 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.492 3.976 -1.403 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.854 3.806 0.327 1.00 0.00 C ATOM 969 CZ PHE A 68 12.166 3.710 -0.089 1.00 0.00 C ATOM 0 H PHE A 68 9.853 7.229 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 68 10.304 4.487 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.525 5.655 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.406 3.992 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.766 4.546 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.844 4.239 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.518 3.901 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.597 3.599 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.937 3.427 0.613 1.00 0.00 H new ATOM 979 N THR A 69 8.093 4.184 -5.801 1.00 0.00 N ATOM 980 CA THR A 69 6.988 4.110 -6.748 1.00 0.00 C ATOM 981 C THR A 69 5.965 3.085 -6.292 1.00 0.00 C ATOM 982 O THR A 69 6.273 1.903 -6.155 1.00 0.00 O ATOM 983 CB THR A 69 7.473 3.745 -8.165 1.00 0.00 C ATOM 984 OG1 THR A 69 8.353 4.762 -8.658 1.00 0.00 O ATOM 985 CG2 THR A 69 6.296 3.581 -9.119 1.00 0.00 C ATOM 0 H THR A 69 8.561 3.294 -5.631 1.00 0.00 H new ATOM 0 HA THR A 69 6.530 5.098 -6.784 1.00 0.00 H new ATOM 0 HB THR A 69 8.007 2.797 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.658 4.522 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.665 3.324 -10.112 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.643 2.787 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.737 4.515 -9.171 1.00 0.00 H new ATOM 993 N ILE A 70 4.749 3.550 -6.056 1.00 0.00 N ATOM 994 CA ILE A 70 3.676 2.681 -5.610 1.00 0.00 C ATOM 995 C ILE A 70 2.725 2.363 -6.764 1.00 0.00 C ATOM 996 O ILE A 70 2.138 3.256 -7.376 1.00 0.00 O ATOM 997 CB ILE A 70 2.906 3.322 -4.433 1.00 0.00 C ATOM 998 CG1 ILE A 70 2.030 2.271 -3.731 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.090 4.522 -4.905 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.579 2.668 -3.570 1.00 0.00 C ATOM 0 H ILE A 70 4.481 4.528 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 70 4.117 1.747 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 70 3.626 3.692 -3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.078 1.340 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.449 2.067 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.557 4.955 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.757 5.269 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.372 4.200 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.037 1.868 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.515 3.580 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.138 2.842 -4.552 1.00 0.00 H new ATOM 1012 N SER A 71 2.601 1.076 -7.070 1.00 0.00 N ATOM 1013 CA SER A 71 1.747 0.622 -8.160 1.00 0.00 C ATOM 1014 C SER A 71 1.314 -0.817 -7.928 1.00 0.00 C ATOM 1015 O SER A 71 1.862 -1.506 -7.071 1.00 0.00 O ATOM 1016 CB SER A 71 2.478 0.741 -9.498 1.00 0.00 C ATOM 1017 OG SER A 71 1.989 1.839 -10.251 1.00 0.00 O ATOM 0 H SER A 71 3.084 0.326 -6.575 1.00 0.00 H new ATOM 0 HA SER A 71 0.861 1.256 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.547 0.864 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.352 -0.180 -10.068 1.00 0.00 H new ATOM 0 HG SER A 71 1.870 2.613 -9.661 1.00 0.00 H new ATOM 1023 N ARG A 72 0.322 -1.264 -8.685 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.179 -2.625 -8.541 1.00 0.00 C ATOM 1025 C ARG A 72 -0.921 -3.081 -9.793 1.00 0.00 C ATOM 1026 O ARG A 72 -1.029 -2.342 -10.772 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.105 -2.716 -7.330 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.462 -2.071 -7.552 1.00 0.00 C ATOM 1029 CD ARG A 72 -2.873 -1.215 -6.366 1.00 0.00 C ATOM 1030 NE ARG A 72 -3.594 -0.019 -6.786 1.00 0.00 N ATOM 1031 CZ ARG A 72 -4.895 0.000 -7.046 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.613 -1.108 -6.930 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -5.480 1.127 -7.423 1.00 0.00 N ATOM 0 H ARG A 72 -0.149 -0.710 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 72 0.678 -3.283 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.249 -3.765 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.621 -2.240 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.431 -1.457 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.211 -2.845 -7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.501 -1.801 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.986 -0.926 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.070 0.850 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.166 -1.978 -6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.613 -1.091 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.930 1.981 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.480 1.140 -7.623 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.439 -4.304 -9.744 1.00 0.00 N ATOM 1048 CA ASP A 73 -2.183 -4.869 -10.861 1.00 0.00 C ATOM 1049 C ASP A 73 -3.677 -4.619 -10.684 1.00 0.00 C ATOM 1050 O ASP A 73 -4.101 -4.023 -9.694 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.909 -6.370 -10.979 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.608 -7.012 -9.640 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -2.461 -6.925 -8.733 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -0.518 -7.605 -9.502 1.00 0.00 O ATOM 0 H ASP A 73 -1.356 -4.924 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.853 -4.381 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.774 -6.860 -11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.067 -6.531 -11.653 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.471 -5.076 -11.645 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.917 -4.897 -11.587 1.00 0.00 C ATOM 1061 C ASN A 74 -6.640 -6.233 -11.718 1.00 0.00 C ATOM 1062 O ASN A 74 -7.847 -6.275 -11.961 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.376 -3.943 -12.691 1.00 0.00 C ATOM 1064 CG ASN A 74 -5.661 -4.190 -14.005 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -5.325 -5.326 -14.339 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -5.424 -3.122 -14.757 1.00 0.00 N ATOM 0 H ASN A 74 -4.139 -5.572 -12.472 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.166 -4.467 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.450 -4.054 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.202 -2.915 -12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.945 -3.224 -15.652 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.721 -2.199 -14.440 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.894 -7.321 -11.554 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.459 -8.661 -11.654 1.00 0.00 C ATOM 1075 C ALA A 75 -5.447 -9.716 -11.220 1.00 0.00 C ATOM 1076 O ALA A 75 -5.188 -10.677 -11.944 1.00 0.00 O ATOM 1077 CB ALA A 75 -6.925 -8.932 -13.078 1.00 0.00 C ATOM 0 H ALA A 75 -4.895 -7.300 -11.351 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.317 -8.718 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.345 -9.936 -13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.686 -8.203 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.078 -8.851 -13.760 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.873 -9.530 -10.034 1.00 0.00 N ATOM 1084 CA LYS A 76 -3.884 -10.469 -9.515 1.00 0.00 C ATOM 1085 C LYS A 76 -3.759 -10.361 -7.997 1.00 0.00 C ATOM 1086 O LYS A 76 -3.084 -11.177 -7.366 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.525 -10.215 -10.170 1.00 0.00 C ATOM 1088 CG LYS A 76 -1.920 -11.446 -10.822 1.00 0.00 C ATOM 1089 CD LYS A 76 -0.475 -11.648 -10.395 1.00 0.00 C ATOM 1090 CE LYS A 76 0.107 -12.923 -10.984 1.00 0.00 C ATOM 1091 NZ LYS A 76 1.596 -12.902 -10.994 1.00 0.00 N ATOM 0 H LYS A 76 -5.074 -8.742 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.219 -11.478 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.635 -9.434 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.834 -9.837 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.506 -12.326 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.970 -11.347 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.122 -10.793 -10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.418 -11.690 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.240 -13.780 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.261 -13.053 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.953 -13.789 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.928 -12.099 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.948 -12.803 -10.020 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.408 -9.354 -7.416 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.364 -9.146 -5.972 1.00 0.00 C ATOM 1107 C ASN A 77 -2.921 -9.044 -5.482 1.00 0.00 C ATOM 1108 O ASN A 77 -2.403 -9.970 -4.858 1.00 0.00 O ATOM 1109 CB ASN A 77 -5.080 -10.288 -5.248 1.00 0.00 C ATOM 1110 CG ASN A 77 -6.265 -9.804 -4.437 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -7.330 -9.519 -4.985 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.085 -9.707 -3.124 1.00 0.00 N ATOM 0 H ASN A 77 -4.970 -8.670 -7.923 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.873 -8.208 -5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.419 -11.022 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.375 -10.796 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.847 -9.385 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.185 -9.954 -2.713 1.00 0.00 H new ATOM 1119 N THR A 78 -2.274 -7.918 -5.773 1.00 0.00 N ATOM 1120 CA THR A 78 -0.890 -7.712 -5.358 1.00 0.00 C ATOM 1121 C THR A 78 -0.500 -6.243 -5.394 1.00 0.00 C ATOM 1122 O THR A 78 -1.095 -5.445 -6.114 1.00 0.00 O ATOM 1123 CB THR A 78 0.093 -8.485 -6.253 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.602 -9.073 -7.359 1.00 0.00 O ATOM 1125 CG2 THR A 78 0.810 -9.569 -5.464 1.00 0.00 C ATOM 0 H THR A 78 -2.683 -7.140 -6.291 1.00 0.00 H new ATOM 0 HA THR A 78 -0.830 -8.083 -4.335 1.00 0.00 H new ATOM 0 HB THR A 78 0.835 -7.779 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.371 -8.594 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.499 -10.101 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.367 -9.115 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.079 -10.270 -5.061 1.00 0.00 H new ATOM 1133 N LEU A 79 0.525 -5.906 -4.618 1.00 0.00 N ATOM 1134 CA LEU A 79 1.033 -4.542 -4.554 1.00 0.00 C ATOM 1135 C LEU A 79 2.530 -4.535 -4.847 1.00 0.00 C ATOM 1136 O LEU A 79 3.299 -5.231 -4.189 1.00 0.00 O ATOM 1137 CB LEU A 79 0.759 -3.925 -3.174 1.00 0.00 C ATOM 1138 CG LEU A 79 0.021 -2.579 -3.195 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.019 -1.943 -1.807 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.644 -1.628 -4.206 1.00 0.00 C ATOM 0 H LEU A 79 1.023 -6.566 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 79 0.518 -3.942 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.174 -4.633 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.710 -3.792 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.006 -2.775 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.549 -0.992 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.536 -2.609 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.999 -1.773 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.101 -0.683 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.687 -1.449 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.591 -2.069 -5.201 1.00 0.00 H new ATOM 1152 N TYR A 80 2.936 -3.763 -5.849 1.00 0.00 N ATOM 1153 CA TYR A 80 4.343 -3.691 -6.230 1.00 0.00 C ATOM 1154 C TYR A 80 4.896 -2.281 -6.070 1.00 0.00 C ATOM 1155 O TYR A 80 4.359 -1.326 -6.629 1.00 0.00 O ATOM 1156 CB TYR A 80 4.526 -4.142 -7.680 1.00 0.00 C ATOM 1157 CG TYR A 80 4.064 -5.555 -7.945 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.722 -5.836 -8.161 1.00 0.00 C ATOM 1159 CD2 TYR A 80 4.970 -6.606 -7.985 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.295 -7.126 -8.408 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.551 -7.899 -8.233 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.213 -8.154 -8.442 1.00 0.00 C ATOM 1163 OH TYR A 80 2.792 -9.441 -8.689 1.00 0.00 O ATOM 0 H TYR A 80 2.315 -3.180 -6.410 1.00 0.00 H new ATOM 0 HA TYR A 80 4.893 -4.356 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.978 -3.463 -8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.580 -4.059 -7.946 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.000 -5.033 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.019 -6.410 -7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.247 -7.328 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.268 -8.706 -8.263 1.00 0.00 H new ATOM 0 HH TYR A 80 3.564 -10.045 -8.680 1.00 0.00 H new ATOM 1173 N LEU A 81 5.988 -2.159 -5.325 1.00 0.00 N ATOM 1174 CA LEU A 81 6.624 -0.866 -5.120 1.00 0.00 C ATOM 1175 C LEU A 81 8.092 -0.927 -5.509 1.00 0.00 C ATOM 1176 O LEU A 81 8.789 -1.895 -5.202 1.00 0.00 O ATOM 1177 CB LEU A 81 6.495 -0.401 -3.669 1.00 0.00 C ATOM 1178 CG LEU A 81 7.079 0.991 -3.397 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.035 1.902 -2.782 1.00 0.00 C ATOM 1180 CD2 LEU A 81 8.299 0.905 -2.497 1.00 0.00 C ATOM 0 H LEU A 81 6.449 -2.938 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 81 6.111 -0.145 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.441 -0.400 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.993 -1.124 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 81 7.389 1.414 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.472 2.884 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.192 2.002 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.690 1.476 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.692 1.906 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.018 0.453 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.063 0.294 -2.978 1.00 0.00 H new ATOM 1192 N GLN A 82 8.558 0.117 -6.181 1.00 0.00 N ATOM 1193 CA GLN A 82 9.945 0.189 -6.607 1.00 0.00 C ATOM 1194 C GLN A 82 10.720 1.151 -5.719 1.00 0.00 C ATOM 1195 O GLN A 82 10.554 2.368 -5.809 1.00 0.00 O ATOM 1196 CB GLN A 82 10.033 0.638 -8.068 1.00 0.00 C ATOM 1197 CG GLN A 82 11.390 0.383 -8.703 1.00 0.00 C ATOM 1198 CD GLN A 82 11.478 -0.978 -9.367 1.00 0.00 C ATOM 1199 OE1 GLN A 82 12.408 -1.805 -8.902 1.00 0.00 O flip ATOM 1200 NE2 GLN A 82 10.719 -1.284 -10.286 1.00 0.00 N flip ATOM 0 H GLN A 82 7.994 0.925 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 82 10.385 -0.804 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.268 0.119 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.809 1.703 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.592 1.158 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.164 0.461 -7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.019 -0.618 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.790 -2.204 -10.721 1.00 0.00 H new ATOM 1209 N MET A 83 11.561 0.596 -4.854 1.00 0.00 N ATOM 1210 CA MET A 83 12.356 1.408 -3.942 1.00 0.00 C ATOM 1211 C MET A 83 13.612 1.919 -4.637 1.00 0.00 C ATOM 1212 O MET A 83 14.670 1.292 -4.577 1.00 0.00 O ATOM 1213 CB MET A 83 12.738 0.596 -2.703 1.00 0.00 C ATOM 1214 CG MET A 83 11.672 0.601 -1.622 1.00 0.00 C ATOM 1215 SD MET A 83 11.944 -0.669 -0.374 1.00 0.00 S ATOM 1216 CE MET A 83 10.427 -1.610 -0.517 1.00 0.00 C ATOM 0 H MET A 83 11.709 -0.409 -4.765 1.00 0.00 H new ATOM 0 HA MET A 83 11.755 2.263 -3.633 1.00 0.00 H new ATOM 0 HB2 MET A 83 12.937 -0.433 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.665 0.994 -2.290 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.652 1.579 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.694 0.451 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.353 -2.309 0.316 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.575 -0.931 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.429 -2.163 -1.456 1.00 0.00 H new ATOM 1226 N ASN A 84 13.480 3.064 -5.300 1.00 0.00 N ATOM 1227 CA ASN A 84 14.599 3.669 -6.018 1.00 0.00 C ATOM 1228 C ASN A 84 15.151 4.872 -5.258 1.00 0.00 C ATOM 1229 O ASN A 84 14.554 5.330 -4.284 1.00 0.00 O ATOM 1230 CB ASN A 84 14.163 4.096 -7.420 1.00 0.00 C ATOM 1231 CG ASN A 84 15.210 3.784 -8.473 1.00 0.00 C ATOM 1232 OD1 ASN A 84 16.406 3.759 -8.186 1.00 0.00 O ATOM 1233 ND2 ASN A 84 14.762 3.544 -9.700 1.00 0.00 N ATOM 0 H ASN A 84 12.609 3.592 -5.355 1.00 0.00 H new ATOM 0 HA ASN A 84 15.388 2.922 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.232 3.591 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.957 5.166 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.419 3.328 -10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.761 3.576 -9.893 1.00 0.00 H new ATOM 1240 N SER A 85 16.295 5.377 -5.717 1.00 0.00 N ATOM 1241 CA SER A 85 16.937 6.528 -5.087 1.00 0.00 C ATOM 1242 C SER A 85 17.126 6.296 -3.591 1.00 0.00 C ATOM 1243 O SER A 85 16.709 7.110 -2.767 1.00 0.00 O ATOM 1244 CB SER A 85 16.107 7.793 -5.322 1.00 0.00 C ATOM 1245 OG SER A 85 16.730 8.645 -6.267 1.00 0.00 O ATOM 0 H SER A 85 16.796 5.006 -6.524 1.00 0.00 H new ATOM 0 HA SER A 85 17.920 6.658 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.113 7.519 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.975 8.325 -4.380 1.00 0.00 H new ATOM 0 HG SER A 85 16.179 9.444 -6.400 1.00 0.00 H new ATOM 1251 N LEU A 86 17.756 5.177 -3.248 1.00 0.00 N ATOM 1252 CA LEU A 86 17.998 4.835 -1.851 1.00 0.00 C ATOM 1253 C LEU A 86 19.075 5.728 -1.245 1.00 0.00 C ATOM 1254 O LEU A 86 19.758 6.466 -1.957 1.00 0.00 O ATOM 1255 CB LEU A 86 18.401 3.365 -1.729 1.00 0.00 C ATOM 1256 CG LEU A 86 17.488 2.385 -2.469 1.00 0.00 C ATOM 1257 CD1 LEU A 86 18.180 1.844 -3.709 1.00 0.00 C ATOM 1258 CD2 LEU A 86 17.067 1.248 -1.551 1.00 0.00 C ATOM 0 H LEU A 86 18.108 4.492 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 86 17.073 4.997 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.417 3.249 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.421 3.095 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 86 16.592 2.920 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 86 17.516 1.149 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.428 2.669 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.094 1.325 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.418 0.562 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.952 0.713 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.529 1.653 -0.694 1.00 0.00 H new ATOM 1270 N LYS A 87 19.214 5.660 0.074 1.00 0.00 N ATOM 1271 CA LYS A 87 20.199 6.463 0.786 1.00 0.00 C ATOM 1272 C LYS A 87 20.450 5.895 2.177 1.00 0.00 C ATOM 1273 O LYS A 87 21.595 5.690 2.581 1.00 0.00 O ATOM 1274 CB LYS A 87 19.717 7.913 0.897 1.00 0.00 C ATOM 1275 CG LYS A 87 18.254 8.041 1.296 1.00 0.00 C ATOM 1276 CD LYS A 87 17.498 8.968 0.355 1.00 0.00 C ATOM 1277 CE LYS A 87 16.015 9.012 0.685 1.00 0.00 C ATOM 1278 NZ LYS A 87 15.179 8.513 -0.442 1.00 0.00 N ATOM 0 H LYS A 87 18.654 5.054 0.674 1.00 0.00 H new ATOM 0 HA LYS A 87 21.133 6.438 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.332 8.436 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.869 8.412 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.787 7.056 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 87 18.186 8.421 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.916 9.973 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.633 8.632 -0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.823 8.410 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.727 10.035 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.207 8.351 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.169 9.218 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.576 7.621 -0.800 1.00 0.00 H new ATOM 1292 N SER A 88 19.364 5.644 2.901 1.00 0.00 N ATOM 1293 CA SER A 88 19.443 5.100 4.253 1.00 0.00 C ATOM 1294 C SER A 88 18.050 4.821 4.797 1.00 0.00 C ATOM 1295 O SER A 88 17.790 3.764 5.372 1.00 0.00 O ATOM 1296 CB SER A 88 20.159 6.080 5.182 1.00 0.00 C ATOM 1297 OG SER A 88 21.252 5.459 5.838 1.00 0.00 O ATOM 0 H SER A 88 18.413 5.810 2.572 1.00 0.00 H new ATOM 0 HA SER A 88 20.006 4.168 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 88 20.514 6.936 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.457 6.463 5.923 1.00 0.00 H new ATOM 0 HG SER A 88 21.693 6.108 6.425 1.00 0.00 H new ATOM 1303 N GLU A 89 17.159 5.790 4.613 1.00 0.00 N ATOM 1304 CA GLU A 89 15.786 5.674 5.083 1.00 0.00 C ATOM 1305 C GLU A 89 15.083 4.480 4.444 1.00 0.00 C ATOM 1306 O GLU A 89 14.054 4.015 4.936 1.00 0.00 O ATOM 1307 CB GLU A 89 15.024 6.969 4.786 1.00 0.00 C ATOM 1308 CG GLU A 89 14.424 7.030 3.388 1.00 0.00 C ATOM 1309 CD GLU A 89 13.527 8.237 3.191 1.00 0.00 C ATOM 1310 OE1 GLU A 89 13.842 9.310 3.749 1.00 0.00 O ATOM 1311 OE2 GLU A 89 12.509 8.110 2.479 1.00 0.00 O ATOM 0 H GLU A 89 17.367 6.669 4.139 1.00 0.00 H new ATOM 0 HA GLU A 89 15.803 5.510 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.225 7.084 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.700 7.814 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.228 7.055 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.851 6.122 3.203 1.00 0.00 H new ATOM 1318 N ASP A 90 15.649 3.984 3.349 1.00 0.00 N ATOM 1319 CA ASP A 90 15.083 2.841 2.645 1.00 0.00 C ATOM 1320 C ASP A 90 15.342 1.553 3.422 1.00 0.00 C ATOM 1321 O ASP A 90 14.530 0.629 3.402 1.00 0.00 O ATOM 1322 CB ASP A 90 15.680 2.729 1.241 1.00 0.00 C ATOM 1323 CG ASP A 90 15.898 4.082 0.590 1.00 0.00 C ATOM 1324 OD1 ASP A 90 16.717 4.869 1.110 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.251 4.355 -0.442 1.00 0.00 O ATOM 0 H ASP A 90 16.501 4.357 2.930 1.00 0.00 H new ATOM 0 HA ASP A 90 14.007 2.991 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.631 2.199 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.017 2.131 0.615 1.00 0.00 H new ATOM 1330 N THR A 91 16.479 1.507 4.109 1.00 0.00 N ATOM 1331 CA THR A 91 16.853 0.342 4.903 1.00 0.00 C ATOM 1332 C THR A 91 15.866 0.123 6.043 1.00 0.00 C ATOM 1333 O THR A 91 16.020 0.692 7.125 1.00 0.00 O ATOM 1334 CB THR A 91 18.265 0.500 5.495 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.141 1.100 4.533 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.825 -0.845 5.929 1.00 0.00 C ATOM 0 H THR A 91 17.160 2.266 4.132 1.00 0.00 H new ATOM 0 HA THR A 91 16.838 -0.519 4.234 1.00 0.00 H new ATOM 0 HB THR A 91 18.194 1.146 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.036 1.197 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.823 -0.707 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 91 18.175 -1.283 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.879 -1.512 5.068 1.00 0.00 H new ATOM 1344 N ALA A 92 14.851 -0.701 5.797 1.00 0.00 N ATOM 1345 CA ALA A 92 13.840 -0.984 6.810 1.00 0.00 C ATOM 1346 C ALA A 92 12.893 -2.091 6.360 1.00 0.00 C ATOM 1347 O ALA A 92 13.158 -2.796 5.386 1.00 0.00 O ATOM 1348 CB ALA A 92 13.055 0.278 7.133 1.00 0.00 C ATOM 0 H ALA A 92 14.707 -1.182 4.909 1.00 0.00 H new ATOM 0 HA ALA A 92 14.353 -1.328 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.303 0.055 7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.734 1.042 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.564 0.642 6.230 1.00 0.00 H new ATOM 1354 N VAL A 93 11.783 -2.230 7.081 1.00 0.00 N ATOM 1355 CA VAL A 93 10.783 -3.243 6.768 1.00 0.00 C ATOM 1356 C VAL A 93 9.546 -2.606 6.142 1.00 0.00 C ATOM 1357 O VAL A 93 8.980 -1.664 6.693 1.00 0.00 O ATOM 1358 CB VAL A 93 10.372 -4.024 8.029 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.455 -5.174 7.662 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.602 -4.535 8.765 1.00 0.00 C ATOM 0 H VAL A 93 11.555 -1.651 7.889 1.00 0.00 H new ATOM 0 HA VAL A 93 11.231 -3.935 6.055 1.00 0.00 H new ATOM 0 HB VAL A 93 9.831 -3.349 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.173 -5.717 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.559 -4.785 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.972 -5.848 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.292 -5.085 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.170 -5.195 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.226 -3.691 9.060 1.00 0.00 H new ATOM 1370 N TYR A 94 9.139 -3.111 4.981 1.00 0.00 N ATOM 1371 CA TYR A 94 7.981 -2.565 4.280 1.00 0.00 C ATOM 1372 C TYR A 94 6.787 -3.516 4.315 1.00 0.00 C ATOM 1373 O TYR A 94 6.931 -4.723 4.128 1.00 0.00 O ATOM 1374 CB TYR A 94 8.350 -2.245 2.829 1.00 0.00 C ATOM 1375 CG TYR A 94 9.379 -1.147 2.706 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.696 -1.356 3.094 1.00 0.00 C ATOM 1377 CD2 TYR A 94 9.031 0.103 2.216 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.637 -0.352 2.994 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.967 1.114 2.114 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.267 0.882 2.505 1.00 0.00 C ATOM 1381 OH TYR A 94 12.200 1.888 2.408 1.00 0.00 O ATOM 0 H TYR A 94 9.591 -3.893 4.508 1.00 0.00 H new ATOM 0 HA TYR A 94 7.688 -1.651 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.731 -3.147 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.450 -1.953 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.989 -2.321 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.012 0.289 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.658 -0.532 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.681 2.082 1.729 1.00 0.00 H new ATOM 0 HH TYR A 94 11.959 2.488 1.672 1.00 0.00 H new ATOM 1391 N TYR A 95 5.606 -2.948 4.542 1.00 0.00 N ATOM 1392 CA TYR A 95 4.370 -3.722 4.590 1.00 0.00 C ATOM 1393 C TYR A 95 3.361 -3.168 3.591 1.00 0.00 C ATOM 1394 O TYR A 95 3.512 -2.052 3.096 1.00 0.00 O ATOM 1395 CB TYR A 95 3.748 -3.692 5.992 1.00 0.00 C ATOM 1396 CG TYR A 95 4.743 -3.752 7.127 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.481 -2.634 7.495 1.00 0.00 C ATOM 1398 CD2 TYR A 95 4.935 -4.927 7.842 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.385 -2.687 8.539 1.00 0.00 C ATOM 1400 CE2 TYR A 95 5.835 -4.988 8.889 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.557 -3.866 9.233 1.00 0.00 C ATOM 1402 OH TYR A 95 7.455 -3.923 10.273 1.00 0.00 O ATOM 0 H TYR A 95 5.479 -1.948 4.696 1.00 0.00 H new ATOM 0 HA TYR A 95 4.619 -4.752 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.157 -2.781 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.059 -4.531 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.346 -1.708 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.371 -5.809 7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.954 -1.810 8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.972 -5.910 9.435 1.00 0.00 H new ATOM 0 HH TYR A 95 7.285 -3.183 10.893 1.00 0.00 H new ATOM 1412 N CYS A 96 2.323 -3.947 3.316 1.00 0.00 N ATOM 1413 CA CYS A 96 1.276 -3.531 2.398 1.00 0.00 C ATOM 1414 C CYS A 96 -0.084 -3.739 3.045 1.00 0.00 C ATOM 1415 O CYS A 96 -0.286 -4.706 3.779 1.00 0.00 O ATOM 1416 CB CYS A 96 1.365 -4.310 1.084 1.00 0.00 C ATOM 1417 SG CYS A 96 0.024 -5.517 0.833 1.00 0.00 S ATOM 0 H CYS A 96 2.185 -4.874 3.719 1.00 0.00 H new ATOM 0 HA CYS A 96 1.408 -2.473 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.360 -3.602 0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.320 -4.834 1.050 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.007 -2.826 2.786 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.339 -2.923 3.367 1.00 0.00 C ATOM 1424 C ALA A 97 -3.347 -2.043 2.644 1.00 0.00 C ATOM 1425 O ALA A 97 -2.983 -1.157 1.872 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.292 -2.562 4.840 1.00 0.00 C ATOM 0 H ALA A 97 -0.862 -2.016 2.183 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.670 -3.956 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.293 -2.638 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.624 -3.247 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.926 -1.542 4.953 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.623 -2.299 2.915 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.707 -1.539 2.309 1.00 0.00 C ATOM 1434 C LYS A 98 -6.014 -0.295 3.141 1.00 0.00 C ATOM 1435 O LYS A 98 -5.981 -0.336 4.370 1.00 0.00 O ATOM 1436 CB LYS A 98 -6.952 -2.426 2.174 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.273 -1.674 2.270 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.137 -2.198 3.408 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.350 -3.702 3.313 1.00 0.00 C ATOM 1440 NZ LYS A 98 -10.333 -4.058 2.253 1.00 0.00 N ATOM 0 H LYS A 98 -4.931 -3.032 3.554 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.402 -1.213 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.912 -2.945 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.925 -3.190 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.077 -0.612 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.815 -1.768 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.667 -1.958 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.103 -1.693 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.398 -4.191 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.699 -4.081 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.188 -4.455 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.585 -3.206 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.913 -4.762 1.613 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.303 0.811 2.461 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.604 2.070 3.138 1.00 0.00 C ATOM 1456 C TYR A 99 -8.071 2.133 3.554 1.00 0.00 C ATOM 1457 O TYR A 99 -8.870 1.276 3.180 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.274 3.250 2.220 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.250 4.207 2.791 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -3.950 3.791 3.053 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.583 5.528 3.061 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.012 4.664 3.569 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -4.650 6.408 3.576 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.367 5.971 3.828 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.434 6.845 4.339 1.00 0.00 O ATOM 0 H TYR A 99 -6.335 0.862 1.443 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.990 2.127 4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.906 2.865 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.191 3.800 2.008 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.669 2.768 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.587 5.873 2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.006 4.325 3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.925 7.432 3.780 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.830 7.349 5.081 1.00 0.00 H new ATOM 1475 N SER A 100 -8.411 3.156 4.332 1.00 0.00 N ATOM 1476 CA SER A 100 -9.779 3.337 4.805 1.00 0.00 C ATOM 1477 C SER A 100 -10.069 4.809 5.081 1.00 0.00 C ATOM 1478 O SER A 100 -11.099 5.337 4.661 1.00 0.00 O ATOM 1479 CB SER A 100 -10.017 2.514 6.073 1.00 0.00 C ATOM 1480 OG SER A 100 -10.696 1.306 5.777 1.00 0.00 O ATOM 0 H SER A 100 -7.758 3.873 4.648 1.00 0.00 H new ATOM 0 HA SER A 100 -10.455 2.991 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.063 2.291 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.600 3.098 6.785 1.00 0.00 H new ATOM 0 HG SER A 100 -10.341 0.926 4.946 1.00 0.00 H new ATOM 1486 N GLY A 101 -9.154 5.463 5.790 1.00 0.00 N ATOM 1487 CA GLY A 101 -9.328 6.868 6.112 1.00 0.00 C ATOM 1488 C GLY A 101 -8.130 7.709 5.719 1.00 0.00 C ATOM 1489 O GLY A 101 -8.112 8.315 4.647 1.00 0.00 O ATOM 0 H GLY A 101 -8.295 5.045 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.215 7.246 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.505 6.972 7.182 1.00 0.00 H new ATOM 1493 N GLY A 102 -7.124 7.746 6.589 1.00 0.00 N ATOM 1494 CA GLY A 102 -5.929 8.521 6.310 1.00 0.00 C ATOM 1495 C GLY A 102 -4.658 7.807 6.727 1.00 0.00 C ATOM 1496 O GLY A 102 -3.555 8.274 6.445 1.00 0.00 O ATOM 0 H GLY A 102 -7.116 7.253 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.884 8.741 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.991 9.477 6.830 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.813 6.671 7.402 1.00 0.00 N ATOM 1501 CA ALA A 103 -3.669 5.889 7.859 1.00 0.00 C ATOM 1502 C ALA A 103 -3.828 4.420 7.482 1.00 0.00 C ATOM 1503 O ALA A 103 -4.942 3.948 7.252 1.00 0.00 O ATOM 1504 CB ALA A 103 -3.499 6.034 9.363 1.00 0.00 C ATOM 0 H ALA A 103 -5.720 6.272 7.644 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.775 6.271 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.642 5.446 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.335 7.083 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.398 5.678 9.867 1.00 0.00 H new ATOM 1510 N LEU A 104 -2.711 3.700 7.419 1.00 0.00 N ATOM 1511 CA LEU A 104 -2.743 2.284 7.069 1.00 0.00 C ATOM 1512 C LEU A 104 -2.685 1.407 8.316 1.00 0.00 C ATOM 1513 O LEU A 104 -2.179 1.822 9.359 1.00 0.00 O ATOM 1514 CB LEU A 104 -1.593 1.929 6.120 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.828 0.676 5.269 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.220 0.694 4.668 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.791 0.558 4.165 1.00 0.00 C ATOM 0 H LEU A 104 -1.779 4.071 7.604 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.687 2.093 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.414 2.774 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.686 1.788 6.707 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.733 -0.190 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.369 -0.203 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.961 0.723 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.333 1.576 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.984 -0.340 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.848 1.433 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.204 0.497 4.606 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.218 0.194 8.198 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.240 -0.748 9.311 1.00 0.00 C ATOM 1531 C ASP A 105 -2.094 -1.753 9.208 1.00 0.00 C ATOM 1532 O ASP A 105 -1.526 -2.162 10.221 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.581 -1.478 9.347 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.124 -1.629 10.755 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -4.498 -2.354 11.558 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -6.171 -1.020 11.056 1.00 0.00 O ATOM 0 H ASP A 105 -3.641 -0.160 7.340 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.111 -0.186 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.304 -0.933 8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.466 -2.465 8.898 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.761 -2.141 7.977 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.679 -3.091 7.723 1.00 0.00 C ATOM 1543 C ALA A 106 -1.012 -4.488 8.247 1.00 0.00 C ATOM 1544 O ALA A 106 -1.071 -4.710 9.457 1.00 0.00 O ATOM 1545 CB ALA A 106 0.622 -2.587 8.328 1.00 0.00 C ATOM 0 H ALA A 106 -2.230 -1.809 7.134 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.558 -3.171 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.418 -3.305 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.882 -1.626 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.500 -2.468 9.405 1.00 0.00 H new ATOM 1551 N TRP A 107 -1.217 -5.429 7.324 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.531 -6.811 7.686 1.00 0.00 C ATOM 1553 C TRP A 107 -0.665 -7.789 6.907 1.00 0.00 C ATOM 1554 O TRP A 107 -0.788 -9.005 7.062 1.00 0.00 O ATOM 1555 CB TRP A 107 -3.004 -7.132 7.417 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.933 -5.986 7.649 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -4.147 -5.325 8.820 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.787 -5.375 6.679 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -5.085 -4.340 8.640 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.492 -4.348 7.332 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -5.021 -5.596 5.321 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.416 -3.545 6.671 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.937 -4.800 4.666 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.624 -3.785 5.341 1.00 0.00 C ATOM 0 H TRP A 107 -1.171 -5.258 6.319 1.00 0.00 H new ATOM 0 HA TRP A 107 -1.328 -6.916 8.752 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -3.109 -7.467 6.385 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -3.305 -7.964 8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -3.651 -5.544 9.754 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.424 -3.705 9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.494 -6.377 4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.949 -2.761 7.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.127 -4.963 3.615 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.334 -3.178 4.800 1.00 0.00 H new ATOM 1575 N GLY A 108 0.198 -7.251 6.061 1.00 0.00 N ATOM 1576 CA GLY A 108 1.066 -8.085 5.253 1.00 0.00 C ATOM 1577 C GLY A 108 2.435 -8.280 5.871 1.00 0.00 C ATOM 1578 O GLY A 108 2.944 -7.394 6.558 1.00 0.00 O ATOM 0 H GLY A 108 0.314 -6.248 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.596 -9.058 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.179 -7.636 4.266 1.00 0.00 H new ATOM 1582 N GLN A 109 3.036 -9.442 5.621 1.00 0.00 N ATOM 1583 CA GLN A 109 4.355 -9.747 6.152 1.00 0.00 C ATOM 1584 C GLN A 109 5.340 -8.649 5.781 1.00 0.00 C ATOM 1585 O GLN A 109 5.379 -8.194 4.639 1.00 0.00 O ATOM 1586 CB GLN A 109 4.850 -11.094 5.626 1.00 0.00 C ATOM 1587 CG GLN A 109 4.402 -12.274 6.472 1.00 0.00 C ATOM 1588 CD GLN A 109 5.557 -12.957 7.181 1.00 0.00 C ATOM 1589 OE1 GLN A 109 6.722 -12.643 6.941 1.00 0.00 O ATOM 1590 NE2 GLN A 109 5.236 -13.898 8.061 1.00 0.00 N ATOM 0 H GLN A 109 2.627 -10.185 5.054 1.00 0.00 H new ATOM 0 HA GLN A 109 4.282 -9.804 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.492 -11.231 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.939 -11.081 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.678 -11.932 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.891 -12.998 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.256 -14.126 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.969 -14.392 8.569 1.00 0.00 H new ATOM 1599 N GLY A 110 6.121 -8.218 6.756 1.00 0.00 N ATOM 1600 CA GLY A 110 7.084 -7.162 6.519 1.00 0.00 C ATOM 1601 C GLY A 110 8.308 -7.628 5.760 1.00 0.00 C ATOM 1602 O GLY A 110 9.101 -8.418 6.272 1.00 0.00 O ATOM 0 H GLY A 110 6.107 -8.580 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.603 -6.359 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.396 -6.743 7.476 1.00 0.00 H new ATOM 1606 N THR A 111 8.473 -7.122 4.541 1.00 0.00 N ATOM 1607 CA THR A 111 9.622 -7.478 3.722 1.00 0.00 C ATOM 1608 C THR A 111 10.887 -6.843 4.289 1.00 0.00 C ATOM 1609 O THR A 111 10.917 -5.645 4.574 1.00 0.00 O ATOM 1610 CB THR A 111 9.435 -7.041 2.253 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.607 -7.362 1.497 1.00 0.00 O ATOM 1612 CG2 THR A 111 9.158 -5.548 2.149 1.00 0.00 C ATOM 0 H THR A 111 7.827 -6.467 4.102 1.00 0.00 H new ATOM 0 HA THR A 111 9.715 -8.564 3.741 1.00 0.00 H new ATOM 0 HB THR A 111 8.576 -7.578 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.075 -6.536 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.031 -5.274 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.249 -5.307 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.995 -4.992 2.571 1.00 0.00 H new ATOM 1620 N GLN A 112 11.925 -7.652 4.464 1.00 0.00 N ATOM 1621 CA GLN A 112 13.185 -7.167 5.014 1.00 0.00 C ATOM 1622 C GLN A 112 14.056 -6.547 3.928 1.00 0.00 C ATOM 1623 O GLN A 112 14.765 -7.250 3.205 1.00 0.00 O ATOM 1624 CB GLN A 112 13.936 -8.311 5.699 1.00 0.00 C ATOM 1625 CG GLN A 112 15.117 -7.852 6.537 1.00 0.00 C ATOM 1626 CD GLN A 112 14.696 -7.009 7.725 1.00 0.00 C ATOM 1627 OE1 GLN A 112 14.242 -7.532 8.743 1.00 0.00 O ATOM 1628 NE2 GLN A 112 14.845 -5.696 7.602 1.00 0.00 N ATOM 0 H GLN A 112 11.919 -8.646 4.233 1.00 0.00 H new ATOM 0 HA GLN A 112 12.958 -6.396 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.242 -8.860 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.290 -9.008 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.667 -8.724 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.800 -7.277 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.225 -5.304 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.579 -5.078 8.369 1.00 0.00 H new ATOM 1637 N VAL A 113 13.998 -5.223 3.823 1.00 0.00 N ATOM 1638 CA VAL A 113 14.783 -4.499 2.829 1.00 0.00 C ATOM 1639 C VAL A 113 15.972 -3.800 3.480 1.00 0.00 C ATOM 1640 O VAL A 113 15.808 -3.021 4.421 1.00 0.00 O ATOM 1641 CB VAL A 113 13.927 -3.454 2.086 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.748 -2.753 1.015 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.692 -4.109 1.481 1.00 0.00 C ATOM 0 H VAL A 113 13.416 -4.630 4.414 1.00 0.00 H new ATOM 0 HA VAL A 113 15.143 -5.234 2.109 1.00 0.00 H new ATOM 0 HB VAL A 113 13.597 -2.704 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.126 -2.019 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.596 -2.249 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.111 -3.487 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.099 -3.357 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.998 -4.882 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.093 -4.558 2.273 1.00 0.00 H new ATOM 1653 N THR A 114 17.169 -4.090 2.979 1.00 0.00 N ATOM 1654 CA THR A 114 18.387 -3.497 3.519 1.00 0.00 C ATOM 1655 C THR A 114 19.195 -2.782 2.439 1.00 0.00 C ATOM 1656 O THR A 114 19.024 -3.035 1.246 1.00 0.00 O ATOM 1657 CB THR A 114 19.278 -4.565 4.178 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.614 -5.834 4.164 1.00 0.00 O ATOM 1659 CG2 THR A 114 19.616 -4.179 5.610 1.00 0.00 C ATOM 0 H THR A 114 17.321 -4.731 2.201 1.00 0.00 H new ATOM 0 HA THR A 114 18.073 -2.769 4.267 1.00 0.00 H new ATOM 0 HB THR A 114 20.205 -4.635 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.188 -6.508 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.246 -4.949 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.147 -3.227 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 114 18.697 -4.084 6.188 1.00 0.00 H new ATOM 1667 N VAL A 115 20.082 -1.892 2.875 1.00 0.00 N ATOM 1668 CA VAL A 115 20.931 -1.136 1.963 1.00 0.00 C ATOM 1669 C VAL A 115 22.385 -1.183 2.418 1.00 0.00 C ATOM 1670 O VAL A 115 22.785 -0.471 3.340 1.00 0.00 O ATOM 1671 CB VAL A 115 20.488 0.334 1.867 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.280 1.072 0.800 1.00 0.00 C ATOM 1673 CG2 VAL A 115 18.994 0.428 1.592 1.00 0.00 C ATOM 0 H VAL A 115 20.231 -1.677 3.861 1.00 0.00 H new ATOM 0 HA VAL A 115 20.836 -1.599 0.981 1.00 0.00 H new ATOM 0 HB VAL A 115 20.690 0.811 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.948 2.109 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.341 1.042 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 115 21.120 0.595 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.701 1.476 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.765 -0.071 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.444 -0.053 2.401 1.00 0.00 H new ATOM 1683 N SER A 116 23.165 -2.030 1.765 1.00 0.00 N ATOM 1684 CA SER A 116 24.577 -2.183 2.091 1.00 0.00 C ATOM 1685 C SER A 116 25.444 -1.915 0.865 1.00 0.00 C ATOM 1686 O SER A 116 24.946 -1.874 -0.260 1.00 0.00 O ATOM 1687 CB SER A 116 24.848 -3.592 2.626 1.00 0.00 C ATOM 1688 OG SER A 116 24.817 -4.549 1.581 1.00 0.00 O ATOM 0 H SER A 116 22.843 -2.626 1.002 1.00 0.00 H new ATOM 0 HA SER A 116 24.831 -1.456 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 116 25.821 -3.617 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.103 -3.848 3.380 1.00 0.00 H new ATOM 0 HG SER A 116 25.010 -5.438 1.946 1.00 0.00 H new