USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 819 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 88 CYS SG : rot 180:sc= 0.682 USER MOD Set 1.2: A 95 SER OG : rot -146:sc= 1.34 USER MOD Set 2.1: A 47 TYR OH : rot 180:sc=-0.00916 USER MOD Set 2.2: A 87 GLN : amide:sc= -3.76 K(o=-3.8,f=-11!) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= -1.88 USER MOD Set 4.2: A 36 ASN : amide:sc= -3.47 K(o=-5.4,f=-9!) USER MOD Set 5.1: A 26 MET CE :methyl -112:sc= -1.43 (180deg=-3.49!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.497) USER MOD Set 6.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 6.2: A 101 MET CE :methyl -153:sc= -0.0642 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -108:sc= 0.645 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 31:sc= 1.13 USER MOD Single : A 21 ASN : amide:sc= -2.3 K(o=-2.3,f=-5.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= -0.27 USER MOD Single : A 30 MET CE :methyl -126:sc= -0.147 (180deg=-1.59) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 38 ASN : amide:sc= -1.04! C(o=-1!,f=-1.3!) USER MOD Single : A 39 THR OG1 : rot 70:sc= -0.933 USER MOD Single : A 42 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.5!) USER MOD Single : A 48 TYR OH : rot 26:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -39:sc= -1.49 USER MOD Single : A 55 ASN : amide:sc= -2.42 K(o=-2.4,f=-8.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.15) USER MOD Single : A 72 SER OG : rot 37:sc= 0.811 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=0) USER MOD Single : A 77 GLN : amide:sc= -3.69! C(o=-3.7!,f=-2.9!) USER MOD Single : A 80 THR OG1 : rot 67:sc= 0.572 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -178:sc= -6.96! USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0.151 (180deg=0.1) USER MOD Single : A 86 MET CE :methyl -144:sc= -1.01 (180deg=-4.47!) USER MOD Single : A 90 ASN : amide:sc= -4.18! C(o=-4.2!,f=-6.7!) USER MOD Single : A 98 SER OG : rot 160:sc= 0.286 USER MOD Single : A 99 ASN : amide:sc= 0.486 K(o=0.49,f=-10!) USER MOD Single : A 103 CYS SG : rot -110:sc= -1.16 USER MOD Single : A 105 THR OG1 : rot 164:sc= 2.28 USER MOD Single : A 106 LYS NZ :NH3+ -133:sc= -0.841 (180deg=-1.57) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.300 18.165 -22.794 1.00 0.00 N ATOM 2 CA GLY A 1 13.965 17.055 -22.136 1.00 0.00 C ATOM 3 C GLY A 1 14.894 17.511 -21.028 1.00 0.00 C ATOM 4 O GLY A 1 16.115 17.411 -21.152 1.00 0.00 O ATOM 0 H1 GLY A 1 12.677 17.802 -23.543 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.735 18.693 -22.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.012 18.797 -23.213 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.216 16.380 -21.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.534 16.488 -22.873 1.00 0.00 H new ATOM 8 N SER A 2 14.316 18.015 -19.943 1.00 0.00 N ATOM 9 CA SER A 2 15.101 18.493 -18.810 1.00 0.00 C ATOM 10 C SER A 2 16.086 17.426 -18.343 1.00 0.00 C ATOM 11 O SER A 2 15.751 16.243 -18.275 1.00 0.00 O ATOM 12 CB SER A 2 14.179 18.893 -17.657 1.00 0.00 C ATOM 13 OG SER A 2 14.914 19.081 -16.459 1.00 0.00 O ATOM 0 H SER A 2 13.307 18.103 -19.824 1.00 0.00 H new ATOM 0 HA SER A 2 15.666 19.367 -19.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.651 19.812 -17.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.423 18.122 -17.507 1.00 0.00 H new ATOM 0 HG SER A 2 14.732 18.340 -15.844 1.00 0.00 H new ATOM 19 N SER A 3 17.303 17.853 -18.021 1.00 0.00 N ATOM 20 CA SER A 3 18.339 16.935 -17.564 1.00 0.00 C ATOM 21 C SER A 3 17.784 15.962 -16.528 1.00 0.00 C ATOM 22 O SER A 3 17.897 14.746 -16.678 1.00 0.00 O ATOM 23 CB SER A 3 19.515 17.714 -16.971 1.00 0.00 C ATOM 24 OG SER A 3 20.732 17.009 -17.143 1.00 0.00 O ATOM 0 H SER A 3 17.595 18.829 -18.068 1.00 0.00 H new ATOM 0 HA SER A 3 18.688 16.363 -18.424 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.586 18.691 -17.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.340 17.891 -15.910 1.00 0.00 H new ATOM 0 HG SER A 3 21.468 17.528 -16.757 1.00 0.00 H new ATOM 30 N GLY A 4 17.184 16.508 -15.474 1.00 0.00 N ATOM 31 CA GLY A 4 16.620 15.675 -14.428 1.00 0.00 C ATOM 32 C GLY A 4 15.496 16.365 -13.680 1.00 0.00 C ATOM 33 O GLY A 4 14.858 17.276 -14.208 1.00 0.00 O ATOM 0 H GLY A 4 17.079 17.512 -15.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.246 14.750 -14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.405 15.400 -13.724 1.00 0.00 H new ATOM 37 N SER A 5 15.253 15.930 -12.448 1.00 0.00 N ATOM 38 CA SER A 5 14.194 16.509 -11.629 1.00 0.00 C ATOM 39 C SER A 5 14.256 15.970 -10.203 1.00 0.00 C ATOM 40 O SER A 5 14.387 14.765 -9.987 1.00 0.00 O ATOM 41 CB SER A 5 12.825 16.208 -12.241 1.00 0.00 C ATOM 42 OG SER A 5 11.825 17.049 -11.691 1.00 0.00 O ATOM 0 H SER A 5 15.774 15.179 -11.995 1.00 0.00 H new ATOM 0 HA SER A 5 14.340 17.589 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.868 16.347 -13.321 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.565 15.164 -12.064 1.00 0.00 H new ATOM 0 HG SER A 5 10.959 16.838 -12.099 1.00 0.00 H new ATOM 48 N SER A 6 14.160 16.872 -9.231 1.00 0.00 N ATOM 49 CA SER A 6 14.209 16.490 -7.825 1.00 0.00 C ATOM 50 C SER A 6 12.992 15.651 -7.448 1.00 0.00 C ATOM 51 O SER A 6 11.889 16.172 -7.292 1.00 0.00 O ATOM 52 CB SER A 6 14.279 17.735 -6.938 1.00 0.00 C ATOM 53 OG SER A 6 15.333 18.591 -7.343 1.00 0.00 O ATOM 0 H SER A 6 14.048 17.873 -9.392 1.00 0.00 H new ATOM 0 HA SER A 6 15.105 15.890 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.332 18.272 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.426 17.438 -5.900 1.00 0.00 H new ATOM 0 HG SER A 6 15.355 19.380 -6.762 1.00 0.00 H new ATOM 59 N GLY A 7 13.203 14.346 -7.303 1.00 0.00 N ATOM 60 CA GLY A 7 12.115 13.454 -6.946 1.00 0.00 C ATOM 61 C GLY A 7 12.541 12.388 -5.956 1.00 0.00 C ATOM 62 O GLY A 7 13.706 11.995 -5.897 1.00 0.00 O ATOM 0 H GLY A 7 14.107 13.891 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.297 14.035 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.730 12.976 -7.847 1.00 0.00 H new ATOM 66 N PRO A 8 11.582 11.902 -5.154 1.00 0.00 N ATOM 67 CA PRO A 8 11.840 10.870 -4.146 1.00 0.00 C ATOM 68 C PRO A 8 12.140 9.512 -4.772 1.00 0.00 C ATOM 69 O PRO A 8 11.501 9.109 -5.744 1.00 0.00 O ATOM 70 CB PRO A 8 10.533 10.815 -3.352 1.00 0.00 C ATOM 71 CG PRO A 8 9.492 11.302 -4.300 1.00 0.00 C ATOM 72 CD PRO A 8 10.171 12.324 -5.170 1.00 0.00 C ATOM 0 HA PRO A 8 12.714 11.103 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.318 9.801 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.583 11.443 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.095 10.482 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.651 11.742 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.763 12.326 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.049 13.333 -4.775 1.00 0.00 H new ATOM 80 N VAL A 9 13.118 8.809 -4.208 1.00 0.00 N ATOM 81 CA VAL A 9 13.502 7.495 -4.709 1.00 0.00 C ATOM 82 C VAL A 9 13.435 6.444 -3.606 1.00 0.00 C ATOM 83 O VAL A 9 12.992 5.319 -3.833 1.00 0.00 O ATOM 84 CB VAL A 9 14.924 7.514 -5.300 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.983 8.418 -6.521 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.931 7.956 -4.249 1.00 0.00 C ATOM 0 H VAL A 9 13.658 9.128 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 9 12.793 7.237 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 9 15.182 6.503 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.995 8.419 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.290 8.052 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.705 9.433 -6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.931 7.964 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.678 8.958 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.906 7.263 -3.408 1.00 0.00 H new ATOM 96 N ALA A 10 13.879 6.821 -2.411 1.00 0.00 N ATOM 97 CA ALA A 10 13.867 5.912 -1.271 1.00 0.00 C ATOM 98 C ALA A 10 12.517 5.217 -1.137 1.00 0.00 C ATOM 99 O ALA A 10 12.444 4.047 -0.766 1.00 0.00 O ATOM 100 CB ALA A 10 14.206 6.665 0.007 1.00 0.00 C ATOM 0 H ALA A 10 14.251 7.749 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 10 14.624 5.146 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.194 5.975 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.197 7.109 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.470 7.452 0.172 1.00 0.00 H new ATOM 106 N GLY A 11 11.448 5.948 -1.440 1.00 0.00 N ATOM 107 CA GLY A 11 10.113 5.385 -1.345 1.00 0.00 C ATOM 108 C GLY A 11 9.759 4.967 0.069 1.00 0.00 C ATOM 109 O GLY A 11 10.630 4.764 0.915 1.00 0.00 O ATOM 0 H GLY A 11 11.483 6.919 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.387 6.118 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.039 4.521 -2.005 1.00 0.00 H new ATOM 113 N PRO A 12 8.453 4.835 0.341 1.00 0.00 N ATOM 114 CA PRO A 12 7.955 4.439 1.662 1.00 0.00 C ATOM 115 C PRO A 12 8.270 2.983 1.987 1.00 0.00 C ATOM 116 O PRO A 12 8.541 2.182 1.093 1.00 0.00 O ATOM 117 CB PRO A 12 6.443 4.647 1.549 1.00 0.00 C ATOM 118 CG PRO A 12 6.152 4.521 0.093 1.00 0.00 C ATOM 119 CD PRO A 12 7.360 5.062 -0.620 1.00 0.00 C ATOM 0 HA PRO A 12 8.419 5.016 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.896 3.903 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.148 5.625 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.971 3.481 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.257 5.082 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.538 4.542 -1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.247 6.120 -0.857 1.00 0.00 H new ATOM 127 N TYR A 13 8.233 2.648 3.272 1.00 0.00 N ATOM 128 CA TYR A 13 8.516 1.288 3.715 1.00 0.00 C ATOM 129 C TYR A 13 7.428 0.785 4.659 1.00 0.00 C ATOM 130 O TYR A 13 7.223 1.339 5.740 1.00 0.00 O ATOM 131 CB TYR A 13 9.877 1.229 4.411 1.00 0.00 C ATOM 132 CG TYR A 13 10.112 -0.054 5.175 1.00 0.00 C ATOM 133 CD1 TYR A 13 10.476 -1.222 4.516 1.00 0.00 C ATOM 134 CD2 TYR A 13 9.968 -0.099 6.556 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.691 -2.397 5.211 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.182 -1.269 7.259 1.00 0.00 C ATOM 137 CZ TYR A 13 10.543 -2.415 6.582 1.00 0.00 C ATOM 138 OH TYR A 13 10.755 -3.583 7.278 1.00 0.00 O ATOM 0 H TYR A 13 8.010 3.299 4.025 1.00 0.00 H new ATOM 0 HA TYR A 13 8.536 0.644 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.663 1.346 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.961 2.071 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.593 -1.211 3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.684 0.796 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.973 -3.296 4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.067 -1.286 8.333 1.00 0.00 H new ATOM 0 HH TYR A 13 10.611 -3.425 8.234 1.00 0.00 H new ATOM 148 N ILE A 14 6.734 -0.269 4.244 1.00 0.00 N ATOM 149 CA ILE A 14 5.669 -0.849 5.052 1.00 0.00 C ATOM 150 C ILE A 14 6.235 -1.587 6.260 1.00 0.00 C ATOM 151 O ILE A 14 7.050 -2.499 6.120 1.00 0.00 O ATOM 152 CB ILE A 14 4.804 -1.822 4.229 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.248 -1.121 2.989 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.674 -2.377 5.082 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.846 -2.073 1.885 1.00 0.00 C ATOM 0 H ILE A 14 6.890 -0.739 3.352 1.00 0.00 H new ATOM 0 HA ILE A 14 5.046 -0.022 5.394 1.00 0.00 H new ATOM 0 HB ILE A 14 5.429 -2.653 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.382 -0.525 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.998 -0.429 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.072 -3.063 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.091 -2.909 5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.048 -1.557 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.461 -1.506 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.714 -2.652 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.073 -2.749 2.251 1.00 0.00 H new ATOM 167 N THR A 15 5.796 -1.187 7.450 1.00 0.00 N ATOM 168 CA THR A 15 6.258 -1.810 8.684 1.00 0.00 C ATOM 169 C THR A 15 5.085 -2.310 9.520 1.00 0.00 C ATOM 170 O THR A 15 5.275 -2.896 10.586 1.00 0.00 O ATOM 171 CB THR A 15 7.095 -0.830 9.529 1.00 0.00 C ATOM 172 OG1 THR A 15 6.924 -1.116 10.922 1.00 0.00 O ATOM 173 CG2 THR A 15 6.690 0.609 9.248 1.00 0.00 C ATOM 0 H THR A 15 5.121 -0.434 7.585 1.00 0.00 H new ATOM 0 HA THR A 15 6.883 -2.656 8.397 1.00 0.00 H new ATOM 0 HB THR A 15 8.144 -0.955 9.259 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.755 -2.074 11.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.294 1.282 9.856 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.848 0.832 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.637 0.745 9.494 1.00 0.00 H new ATOM 181 N PHE A 16 3.873 -2.077 9.029 1.00 0.00 N ATOM 182 CA PHE A 16 2.668 -2.504 9.731 1.00 0.00 C ATOM 183 C PHE A 16 1.612 -3.000 8.748 1.00 0.00 C ATOM 184 O PHE A 16 1.160 -2.257 7.876 1.00 0.00 O ATOM 185 CB PHE A 16 2.103 -1.353 10.565 1.00 0.00 C ATOM 186 CG PHE A 16 1.215 -1.806 11.689 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.135 -2.031 11.475 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.731 -2.007 12.959 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.954 -2.447 12.507 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.917 -2.424 13.995 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.427 -2.645 13.769 1.00 0.00 C ATOM 0 H PHE A 16 3.699 -1.595 8.147 1.00 0.00 H new ATOM 0 HA PHE A 16 2.937 -3.326 10.394 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.929 -0.773 10.977 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.539 -0.686 9.913 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.552 -1.880 10.490 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.782 -1.836 13.141 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.005 -2.617 12.328 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.332 -2.577 14.980 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.065 -2.972 14.577 1.00 0.00 H new ATOM 201 N THR A 17 1.224 -4.263 8.893 1.00 0.00 N ATOM 202 CA THR A 17 0.223 -4.861 8.018 1.00 0.00 C ATOM 203 C THR A 17 -0.747 -5.733 8.807 1.00 0.00 C ATOM 204 O THR A 17 -0.359 -6.757 9.370 1.00 0.00 O ATOM 205 CB THR A 17 0.879 -5.711 6.914 1.00 0.00 C ATOM 206 OG1 THR A 17 2.055 -6.351 7.421 1.00 0.00 O ATOM 207 CG2 THR A 17 1.242 -4.852 5.712 1.00 0.00 C ATOM 0 H THR A 17 1.588 -4.892 9.609 1.00 0.00 H new ATOM 0 HA THR A 17 -0.325 -4.040 7.557 1.00 0.00 H new ATOM 0 HB THR A 17 0.162 -6.468 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.192 -7.201 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.704 -5.475 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.341 -4.390 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.942 -4.075 6.018 1.00 0.00 H new ATOM 215 N ASP A 18 -2.009 -5.322 8.843 1.00 0.00 N ATOM 216 CA ASP A 18 -3.036 -6.067 9.562 1.00 0.00 C ATOM 217 C ASP A 18 -4.376 -5.982 8.838 1.00 0.00 C ATOM 218 O ASP A 18 -4.639 -5.027 8.108 1.00 0.00 O ATOM 219 CB ASP A 18 -3.178 -5.535 10.989 1.00 0.00 C ATOM 220 CG ASP A 18 -3.629 -6.604 11.964 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.789 -7.441 12.356 1.00 0.00 O ATOM 222 OD2 ASP A 18 -4.822 -6.606 12.334 1.00 0.00 O ATOM 0 H ASP A 18 -2.346 -4.477 8.383 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.731 -7.113 9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.222 -5.127 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.895 -4.714 10.998 1.00 0.00 H new ATOM 227 N ALA A 19 -5.219 -6.988 9.046 1.00 0.00 N ATOM 228 CA ALA A 19 -6.532 -7.027 8.414 1.00 0.00 C ATOM 229 C ALA A 19 -7.599 -6.433 9.328 1.00 0.00 C ATOM 230 O ALA A 19 -7.893 -6.977 10.392 1.00 0.00 O ATOM 231 CB ALA A 19 -6.895 -8.456 8.037 1.00 0.00 C ATOM 0 H ALA A 19 -5.016 -7.787 9.647 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.489 -6.423 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.878 -8.470 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.154 -8.848 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.914 -9.075 8.934 1.00 0.00 H new ATOM 237 N VAL A 20 -8.175 -5.311 8.906 1.00 0.00 N ATOM 238 CA VAL A 20 -9.210 -4.643 9.686 1.00 0.00 C ATOM 239 C VAL A 20 -10.534 -5.394 9.601 1.00 0.00 C ATOM 240 O VAL A 20 -11.373 -5.295 10.494 1.00 0.00 O ATOM 241 CB VAL A 20 -9.422 -3.193 9.212 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.367 -2.457 10.149 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.090 -2.467 9.106 1.00 0.00 C ATOM 0 H VAL A 20 -7.942 -4.846 8.028 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.869 -4.632 10.721 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.877 -3.216 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.504 -1.434 9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.330 -2.967 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.945 -2.442 11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.259 -1.444 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.605 -2.453 10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.450 -2.983 8.390 1.00 0.00 H new ATOM 253 N ASN A 21 -10.713 -6.144 8.518 1.00 0.00 N ATOM 254 CA ASN A 21 -11.936 -6.913 8.315 1.00 0.00 C ATOM 255 C ASN A 21 -11.746 -7.958 7.220 1.00 0.00 C ATOM 256 O ASN A 21 -10.695 -8.019 6.583 1.00 0.00 O ATOM 257 CB ASN A 21 -13.094 -5.981 7.951 1.00 0.00 C ATOM 258 CG ASN A 21 -13.801 -5.433 9.175 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.685 -5.982 10.271 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.540 -4.344 8.994 1.00 0.00 N ATOM 0 H ASN A 21 -10.028 -6.236 7.768 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.171 -7.428 9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.716 -5.153 7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.811 -6.521 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.039 -3.930 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.608 -3.922 8.068 1.00 0.00 H new ATOM 267 N GLU A 22 -12.771 -8.777 7.008 1.00 0.00 N ATOM 268 CA GLU A 22 -12.716 -9.820 5.990 1.00 0.00 C ATOM 269 C GLU A 22 -12.585 -9.213 4.596 1.00 0.00 C ATOM 270 O GLU A 22 -12.198 -9.892 3.644 1.00 0.00 O ATOM 271 CB GLU A 22 -13.967 -10.698 6.060 1.00 0.00 C ATOM 272 CG GLU A 22 -15.267 -9.913 5.997 1.00 0.00 C ATOM 273 CD GLU A 22 -15.740 -9.459 7.364 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.388 -10.118 8.364 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.464 -8.444 7.433 1.00 0.00 O ATOM 0 H GLU A 22 -13.648 -8.739 7.527 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.837 -10.435 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.945 -11.414 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.945 -11.274 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.131 -9.042 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.038 -10.530 5.536 1.00 0.00 H new ATOM 282 N THR A 23 -12.912 -7.929 4.483 1.00 0.00 N ATOM 283 CA THR A 23 -12.833 -7.230 3.206 1.00 0.00 C ATOM 284 C THR A 23 -12.088 -5.908 3.349 1.00 0.00 C ATOM 285 O THR A 23 -12.164 -5.043 2.475 1.00 0.00 O ATOM 286 CB THR A 23 -14.234 -6.957 2.628 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.033 -6.257 3.588 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.922 -8.258 2.240 1.00 0.00 C ATOM 0 H THR A 23 -13.234 -7.352 5.260 1.00 0.00 H new ATOM 0 HA THR A 23 -12.287 -7.880 2.523 1.00 0.00 H new ATOM 0 HB THR A 23 -14.121 -6.343 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.922 -6.086 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.910 -8.040 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.326 -8.774 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.023 -8.893 3.120 1.00 0.00 H new ATOM 296 N THR A 24 -11.367 -5.756 4.455 1.00 0.00 N ATOM 297 CA THR A 24 -10.608 -4.539 4.712 1.00 0.00 C ATOM 298 C THR A 24 -9.238 -4.858 5.297 1.00 0.00 C ATOM 299 O THR A 24 -9.077 -5.836 6.029 1.00 0.00 O ATOM 300 CB THR A 24 -11.360 -3.602 5.677 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.771 -3.704 5.459 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.916 -2.159 5.485 1.00 0.00 C ATOM 0 H THR A 24 -11.293 -6.462 5.188 1.00 0.00 H new ATOM 0 HA THR A 24 -10.482 -4.037 3.753 1.00 0.00 H new ATOM 0 HB THR A 24 -11.128 -3.905 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.249 -3.377 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.460 -1.516 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.847 -2.078 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.123 -1.848 4.461 1.00 0.00 H new ATOM 310 N ILE A 25 -8.252 -4.029 4.971 1.00 0.00 N ATOM 311 CA ILE A 25 -6.895 -4.223 5.467 1.00 0.00 C ATOM 312 C ILE A 25 -6.229 -2.888 5.782 1.00 0.00 C ATOM 313 O ILE A 25 -6.238 -1.969 4.964 1.00 0.00 O ATOM 314 CB ILE A 25 -6.029 -4.988 4.449 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.412 -6.470 4.432 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.553 -4.821 4.779 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.589 -7.296 3.469 1.00 0.00 C ATOM 0 H ILE A 25 -8.368 -3.216 4.365 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.974 -4.812 6.381 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.209 -4.574 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.299 -6.878 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.466 -6.562 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.953 -5.367 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.290 -3.764 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.357 -5.212 5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.915 -8.335 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.721 -6.914 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.536 -7.235 3.745 1.00 0.00 H new ATOM 329 N MET A 26 -5.650 -2.789 6.975 1.00 0.00 N ATOM 330 CA MET A 26 -4.976 -1.567 7.397 1.00 0.00 C ATOM 331 C MET A 26 -3.461 -1.747 7.375 1.00 0.00 C ATOM 332 O MET A 26 -2.929 -2.688 7.964 1.00 0.00 O ATOM 333 CB MET A 26 -5.433 -1.167 8.801 1.00 0.00 C ATOM 334 CG MET A 26 -4.490 -0.197 9.494 1.00 0.00 C ATOM 335 SD MET A 26 -5.311 0.783 10.766 1.00 0.00 S ATOM 336 CE MET A 26 -4.911 2.443 10.226 1.00 0.00 C ATOM 0 H MET A 26 -5.634 -3.540 7.665 1.00 0.00 H new ATOM 0 HA MET A 26 -5.240 -0.775 6.697 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.423 -0.715 8.737 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.531 -2.065 9.412 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.669 -0.754 9.944 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.053 0.471 8.752 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.231 2.905 10.942 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.433 2.402 9.247 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.824 3.034 10.160 1.00 0.00 H new ATOM 346 N LEU A 27 -2.773 -0.839 6.692 1.00 0.00 N ATOM 347 CA LEU A 27 -1.318 -0.897 6.593 1.00 0.00 C ATOM 348 C LEU A 27 -0.705 0.489 6.765 1.00 0.00 C ATOM 349 O LEU A 27 -1.236 1.482 6.266 1.00 0.00 O ATOM 350 CB LEU A 27 -0.903 -1.487 5.244 1.00 0.00 C ATOM 351 CG LEU A 27 -0.811 -0.500 4.080 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.091 -1.048 2.985 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.197 -0.196 3.528 1.00 0.00 C ATOM 0 H LEU A 27 -3.198 -0.054 6.199 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.949 -1.539 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.068 -1.968 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.615 -2.268 4.977 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.376 0.429 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.144 -0.332 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.091 -1.215 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.314 -1.991 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.113 0.508 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.658 -1.118 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.814 0.240 4.314 1.00 0.00 H new ATOM 365 N LYS A 28 0.417 0.550 7.474 1.00 0.00 N ATOM 366 CA LYS A 28 1.106 1.813 7.710 1.00 0.00 C ATOM 367 C LYS A 28 2.526 1.770 7.154 1.00 0.00 C ATOM 368 O LYS A 28 3.248 0.791 7.344 1.00 0.00 O ATOM 369 CB LYS A 28 1.143 2.125 9.208 1.00 0.00 C ATOM 370 CG LYS A 28 -0.234 2.279 9.831 1.00 0.00 C ATOM 371 CD LYS A 28 -0.220 1.924 11.308 1.00 0.00 C ATOM 372 CE LYS A 28 -1.518 2.329 11.991 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.743 3.799 11.927 1.00 0.00 N ATOM 0 H LYS A 28 0.869 -0.261 7.896 1.00 0.00 H new ATOM 0 HA LYS A 28 0.556 2.600 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.679 1.328 9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.709 3.043 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.578 3.306 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.945 1.638 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.066 0.851 11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.619 2.421 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.354 1.813 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.495 2.010 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.422 4.079 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.842 4.295 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.123 4.052 10.992 1.00 0.00 H new ATOM 387 N TRP A 29 2.920 2.837 6.470 1.00 0.00 N ATOM 388 CA TRP A 29 4.255 2.922 5.888 1.00 0.00 C ATOM 389 C TRP A 29 5.073 4.020 6.558 1.00 0.00 C ATOM 390 O TRP A 29 4.519 4.985 7.084 1.00 0.00 O ATOM 391 CB TRP A 29 4.163 3.184 4.384 1.00 0.00 C ATOM 392 CG TRP A 29 3.363 4.404 4.041 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.821 5.688 3.961 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.965 4.455 3.736 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.792 6.534 3.623 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.644 5.802 3.479 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.954 3.494 3.652 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.354 6.209 3.146 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.325 3.899 3.322 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.616 5.247 3.072 1.00 0.00 C ATOM 0 H TRP A 29 2.335 3.656 6.304 1.00 0.00 H new ATOM 0 HA TRP A 29 4.757 1.969 6.054 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.169 3.293 3.979 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.716 2.317 3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.842 5.994 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.871 7.543 3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.169 2.453 3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.128 7.247 2.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.114 3.164 3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.626 5.532 2.816 1.00 0.00 H new ATOM 411 N MET A 30 6.393 3.867 6.535 1.00 0.00 N ATOM 412 CA MET A 30 7.286 4.847 7.141 1.00 0.00 C ATOM 413 C MET A 30 8.098 5.575 6.073 1.00 0.00 C ATOM 414 O MET A 30 8.088 5.191 4.904 1.00 0.00 O ATOM 415 CB MET A 30 8.227 4.166 8.137 1.00 0.00 C ATOM 416 CG MET A 30 9.219 3.217 7.485 1.00 0.00 C ATOM 417 SD MET A 30 10.725 4.050 6.945 1.00 0.00 S ATOM 418 CE MET A 30 11.524 4.357 8.518 1.00 0.00 C ATOM 0 H MET A 30 6.867 3.074 6.103 1.00 0.00 H new ATOM 0 HA MET A 30 6.676 5.578 7.671 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.776 4.931 8.687 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.634 3.614 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.478 2.427 8.190 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.747 2.737 6.628 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.761 5.417 8.605 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.855 4.067 9.328 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.443 3.774 8.579 1.00 0.00 H new ATOM 428 N TYR A 31 8.798 6.626 6.484 1.00 0.00 N ATOM 429 CA TYR A 31 9.613 7.409 5.562 1.00 0.00 C ATOM 430 C TYR A 31 10.996 7.674 6.148 1.00 0.00 C ATOM 431 O TYR A 31 11.128 8.036 7.318 1.00 0.00 O ATOM 432 CB TYR A 31 8.922 8.734 5.236 1.00 0.00 C ATOM 433 CG TYR A 31 9.607 9.522 4.142 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.781 10.221 4.393 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.079 9.565 2.857 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.409 10.942 3.396 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.702 10.283 1.854 1.00 0.00 C ATOM 438 CZ TYR A 31 10.866 10.970 2.128 1.00 0.00 C ATOM 439 OH TYR A 31 11.490 11.686 1.133 1.00 0.00 O ATOM 0 H TYR A 31 8.818 6.956 7.449 1.00 0.00 H new ATOM 0 HA TYR A 31 9.732 6.834 4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.893 8.534 4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.879 9.343 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.210 10.200 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.167 9.029 2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.320 11.481 3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.279 10.306 0.860 1.00 0.00 H new ATOM 0 HH TYR A 31 10.980 11.602 0.300 1.00 0.00 H new ATOM 449 N ILE A 32 12.024 7.493 5.326 1.00 0.00 N ATOM 450 CA ILE A 32 13.398 7.714 5.761 1.00 0.00 C ATOM 451 C ILE A 32 13.922 9.057 5.265 1.00 0.00 C ATOM 452 O ILE A 32 14.367 9.195 4.125 1.00 0.00 O ATOM 453 CB ILE A 32 14.333 6.595 5.265 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.803 5.227 5.700 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.745 6.814 5.788 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.784 4.643 4.747 1.00 0.00 C ATOM 0 H ILE A 32 11.932 7.194 4.355 1.00 0.00 H new ATOM 0 HA ILE A 32 13.388 7.711 6.851 1.00 0.00 H new ATOM 0 HB ILE A 32 14.362 6.622 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.640 4.535 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.353 5.318 6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.394 6.015 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.120 7.774 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.734 6.810 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.452 3.673 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.929 5.315 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.235 4.519 3.763 1.00 0.00 H new ATOM 468 N PRO A 33 13.871 10.072 6.140 1.00 0.00 N ATOM 469 CA PRO A 33 14.339 11.422 5.815 1.00 0.00 C ATOM 470 C PRO A 33 15.856 11.492 5.673 1.00 0.00 C ATOM 471 O PRO A 33 16.388 12.401 5.036 1.00 0.00 O ATOM 472 CB PRO A 33 13.875 12.257 7.011 1.00 0.00 C ATOM 473 CG PRO A 33 13.773 11.284 8.135 1.00 0.00 C ATOM 474 CD PRO A 33 13.353 9.979 7.516 1.00 0.00 C ATOM 0 HA PRO A 33 13.948 11.769 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.585 13.052 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.915 12.734 6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.728 11.182 8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.045 11.617 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.776 9.127 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.270 9.858 7.530 1.00 0.00 H new ATOM 482 N ALA A 34 16.546 10.526 6.270 1.00 0.00 N ATOM 483 CA ALA A 34 18.002 10.477 6.207 1.00 0.00 C ATOM 484 C ALA A 34 18.494 10.608 4.770 1.00 0.00 C ATOM 485 O ALA A 34 19.038 11.642 4.382 1.00 0.00 O ATOM 486 CB ALA A 34 18.513 9.185 6.827 1.00 0.00 C ATOM 0 H ALA A 34 16.121 9.767 6.803 1.00 0.00 H new ATOM 0 HA ALA A 34 18.395 11.320 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.601 9.161 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.200 9.133 7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.104 8.334 6.283 1.00 0.00 H new ATOM 492 N SER A 35 18.301 9.553 3.985 1.00 0.00 N ATOM 493 CA SER A 35 18.730 9.550 2.591 1.00 0.00 C ATOM 494 C SER A 35 17.649 10.137 1.688 1.00 0.00 C ATOM 495 O SER A 35 17.198 9.494 0.742 1.00 0.00 O ATOM 496 CB SER A 35 19.066 8.126 2.143 1.00 0.00 C ATOM 497 OG SER A 35 20.387 7.773 2.515 1.00 0.00 O ATOM 0 H SER A 35 17.851 8.690 4.290 1.00 0.00 H new ATOM 0 HA SER A 35 19.623 10.170 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.360 7.425 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.956 8.046 1.062 1.00 0.00 H new ATOM 0 HG SER A 35 20.577 6.858 2.219 1.00 0.00 H new ATOM 503 N ASN A 36 17.239 11.365 1.989 1.00 0.00 N ATOM 504 CA ASN A 36 16.211 12.041 1.206 1.00 0.00 C ATOM 505 C ASN A 36 16.703 13.401 0.720 1.00 0.00 C ATOM 506 O ASN A 36 17.687 13.935 1.231 1.00 0.00 O ATOM 507 CB ASN A 36 14.939 12.214 2.038 1.00 0.00 C ATOM 508 CG ASN A 36 13.860 12.977 1.293 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.653 12.771 0.097 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.168 13.864 1.998 1.00 0.00 N ATOM 0 H ASN A 36 17.603 11.912 2.769 1.00 0.00 H new ATOM 0 HA ASN A 36 15.987 11.424 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.557 11.233 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.181 12.740 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.430 14.408 1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.374 14.002 2.987 1.00 0.00 H new ATOM 517 N ASN A 37 16.012 13.955 -0.271 1.00 0.00 N ATOM 518 CA ASN A 37 16.378 15.252 -0.826 1.00 0.00 C ATOM 519 C ASN A 37 15.482 16.355 -0.271 1.00 0.00 C ATOM 520 O ASN A 37 15.429 17.458 -0.813 1.00 0.00 O ATOM 521 CB ASN A 37 16.282 15.222 -2.353 1.00 0.00 C ATOM 522 CG ASN A 37 17.267 16.168 -3.013 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.316 16.482 -2.450 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.932 16.627 -4.213 1.00 0.00 N ATOM 0 H ASN A 37 15.195 13.525 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 37 17.407 15.465 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.465 14.207 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.269 15.487 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.555 17.267 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.052 16.340 -4.642 1.00 0.00 H new ATOM 531 N ASN A 38 14.780 16.048 0.815 1.00 0.00 N ATOM 532 CA ASN A 38 13.885 17.013 1.445 1.00 0.00 C ATOM 533 C ASN A 38 12.900 17.585 0.429 1.00 0.00 C ATOM 534 O ASN A 38 12.658 18.792 0.394 1.00 0.00 O ATOM 535 CB ASN A 38 14.691 18.145 2.084 1.00 0.00 C ATOM 536 CG ASN A 38 13.804 19.215 2.691 1.00 0.00 C ATOM 537 OD1 ASN A 38 12.763 18.916 3.275 1.00 0.00 O ATOM 538 ND2 ASN A 38 14.215 20.471 2.555 1.00 0.00 N ATOM 0 H ASN A 38 14.813 15.139 1.277 1.00 0.00 H new ATOM 0 HA ASN A 38 13.320 16.496 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.340 17.734 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.338 18.597 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.660 21.234 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.085 20.672 2.063 1.00 0.00 H new ATOM 545 N THR A 39 12.335 16.710 -0.396 1.00 0.00 N ATOM 546 CA THR A 39 11.377 17.127 -1.412 1.00 0.00 C ATOM 547 C THR A 39 9.948 16.812 -0.984 1.00 0.00 C ATOM 548 O THR A 39 9.667 15.766 -0.397 1.00 0.00 O ATOM 549 CB THR A 39 11.658 16.443 -2.764 1.00 0.00 C ATOM 550 OG1 THR A 39 11.050 17.187 -3.825 1.00 0.00 O ATOM 551 CG2 THR A 39 11.128 15.017 -2.769 1.00 0.00 C ATOM 0 H THR A 39 12.524 15.708 -0.381 1.00 0.00 H new ATOM 0 HA THR A 39 11.489 18.205 -1.528 1.00 0.00 H new ATOM 0 HB THR A 39 12.737 16.413 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.525 18.036 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.338 14.554 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.614 14.445 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.051 15.028 -2.599 1.00 0.00 H new ATOM 559 N PRO A 40 9.023 17.735 -1.283 1.00 0.00 N ATOM 560 CA PRO A 40 7.607 17.577 -0.938 1.00 0.00 C ATOM 561 C PRO A 40 6.928 16.488 -1.762 1.00 0.00 C ATOM 562 O PRO A 40 7.160 16.372 -2.966 1.00 0.00 O ATOM 563 CB PRO A 40 7.007 18.947 -1.265 1.00 0.00 C ATOM 564 CG PRO A 40 7.911 19.519 -2.302 1.00 0.00 C ATOM 565 CD PRO A 40 9.287 19.005 -1.981 1.00 0.00 C ATOM 0 HA PRO A 40 7.472 17.274 0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.987 18.854 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.967 19.583 -0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.603 19.211 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.887 20.609 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.879 18.852 -2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.840 19.702 -1.351 1.00 0.00 H new ATOM 573 N ILE A 41 6.088 15.694 -1.107 1.00 0.00 N ATOM 574 CA ILE A 41 5.374 14.616 -1.780 1.00 0.00 C ATOM 575 C ILE A 41 3.933 15.013 -2.078 1.00 0.00 C ATOM 576 O ILE A 41 3.246 15.583 -1.229 1.00 0.00 O ATOM 577 CB ILE A 41 5.376 13.327 -0.936 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.769 13.071 -0.359 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.919 12.144 -1.777 1.00 0.00 C ATOM 580 CD1 ILE A 41 6.884 11.758 0.383 1.00 0.00 C ATOM 0 H ILE A 41 5.885 15.777 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 41 5.897 14.428 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 41 4.678 13.451 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.497 13.086 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.028 13.885 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.925 11.240 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.909 12.327 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.595 12.016 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.899 11.643 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.180 11.747 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.656 10.936 -0.295 1.00 0.00 H new ATOM 592 N HIS A 42 3.479 14.708 -3.290 1.00 0.00 N ATOM 593 CA HIS A 42 2.117 15.030 -3.700 1.00 0.00 C ATOM 594 C HIS A 42 1.109 14.130 -2.993 1.00 0.00 C ATOM 595 O HIS A 42 0.043 14.583 -2.575 1.00 0.00 O ATOM 596 CB HIS A 42 1.971 14.888 -5.215 1.00 0.00 C ATOM 597 CG HIS A 42 2.399 16.105 -5.976 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.098 16.305 -7.306 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.109 17.189 -5.584 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.605 17.459 -7.701 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.223 18.016 -6.675 1.00 0.00 N ATOM 0 H HIS A 42 4.035 14.238 -4.005 1.00 0.00 H new ATOM 0 HA HIS A 42 1.914 16.063 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.561 14.035 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.930 14.669 -5.452 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.567 15.662 -7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.511 17.370 -4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.527 17.876 -8.694 1.00 0.00 H new ATOM 610 N GLY A 43 1.452 12.852 -2.862 1.00 0.00 N ATOM 611 CA GLY A 43 0.566 11.909 -2.206 1.00 0.00 C ATOM 612 C GLY A 43 1.205 10.548 -2.017 1.00 0.00 C ATOM 613 O GLY A 43 2.430 10.420 -2.046 1.00 0.00 O ATOM 0 H GLY A 43 2.328 12.453 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.272 12.307 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.345 11.801 -2.795 1.00 0.00 H new ATOM 617 N PHE A 44 0.376 9.528 -1.821 1.00 0.00 N ATOM 618 CA PHE A 44 0.868 8.170 -1.624 1.00 0.00 C ATOM 619 C PHE A 44 -0.010 7.161 -2.359 1.00 0.00 C ATOM 620 O PHE A 44 -1.213 7.072 -2.111 1.00 0.00 O ATOM 621 CB PHE A 44 0.912 7.833 -0.132 1.00 0.00 C ATOM 622 CG PHE A 44 2.114 8.393 0.574 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.394 8.060 0.161 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.963 9.252 1.650 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.501 8.573 0.810 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.067 9.769 2.302 1.00 0.00 C ATOM 627 CZ PHE A 44 4.337 9.430 1.881 1.00 0.00 C ATOM 0 H PHE A 44 -0.640 9.616 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 44 1.877 8.113 -2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.010 8.215 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.902 6.750 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.528 7.392 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.972 9.521 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.494 8.304 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.936 10.438 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.201 9.834 2.388 1.00 0.00 H new ATOM 637 N TYR A 45 0.600 6.404 -3.263 1.00 0.00 N ATOM 638 CA TYR A 45 -0.125 5.404 -4.037 1.00 0.00 C ATOM 639 C TYR A 45 -0.013 4.027 -3.389 1.00 0.00 C ATOM 640 O TYR A 45 1.037 3.662 -2.860 1.00 0.00 O ATOM 641 CB TYR A 45 0.409 5.350 -5.470 1.00 0.00 C ATOM 642 CG TYR A 45 -0.221 6.372 -6.389 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.597 6.559 -6.414 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.561 7.152 -7.233 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.177 7.491 -7.253 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.010 8.087 -8.074 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.379 8.253 -8.081 1.00 0.00 C ATOM 648 OH TYR A 45 -1.952 9.183 -8.917 1.00 0.00 O ATOM 0 H TYR A 45 1.595 6.464 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.176 5.692 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.488 5.505 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.236 4.353 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.225 5.965 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.633 7.025 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.249 7.622 -7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.613 8.685 -8.723 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.252 9.635 -9.432 1.00 0.00 H new ATOM 658 N ILE A 46 -1.103 3.268 -3.436 1.00 0.00 N ATOM 659 CA ILE A 46 -1.127 1.931 -2.856 1.00 0.00 C ATOM 660 C ILE A 46 -1.688 0.913 -3.844 1.00 0.00 C ATOM 661 O ILE A 46 -2.832 1.025 -4.285 1.00 0.00 O ATOM 662 CB ILE A 46 -1.967 1.893 -1.565 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.346 2.799 -0.500 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.083 0.466 -1.051 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.356 3.376 0.466 1.00 0.00 C ATOM 0 H ILE A 46 -1.980 3.556 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.096 1.672 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.968 2.261 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.603 2.231 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.818 3.616 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.679 0.455 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.565 -0.155 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.088 0.074 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.845 4.008 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.086 3.971 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.867 2.565 0.986 1.00 0.00 H new ATOM 677 N TYR A 47 -0.875 -0.080 -4.186 1.00 0.00 N ATOM 678 CA TYR A 47 -1.289 -1.119 -5.122 1.00 0.00 C ATOM 679 C TYR A 47 -1.598 -2.421 -4.389 1.00 0.00 C ATOM 680 O TYR A 47 -0.975 -2.740 -3.377 1.00 0.00 O ATOM 681 CB TYR A 47 -0.199 -1.356 -6.168 1.00 0.00 C ATOM 682 CG TYR A 47 0.187 -0.110 -6.933 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.789 0.965 -6.291 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.051 -0.008 -8.299 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.142 2.105 -6.986 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.301 1.128 -9.002 1.00 0.00 C ATOM 687 CZ TYR A 47 0.896 2.182 -8.342 1.00 0.00 C ATOM 688 OH TYR A 47 1.248 3.315 -9.038 1.00 0.00 O ATOM 0 H TYR A 47 0.075 -0.188 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.196 -0.781 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.686 -1.758 -5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.542 -2.113 -6.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.984 0.908 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.519 -0.831 -8.819 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.608 2.932 -6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.111 1.190 -10.063 1.00 0.00 H new ATOM 0 HH TYR A 47 1.007 3.207 -9.982 1.00 0.00 H new ATOM 698 N TYR A 48 -2.565 -3.169 -4.909 1.00 0.00 N ATOM 699 CA TYR A 48 -2.960 -4.436 -4.305 1.00 0.00 C ATOM 700 C TYR A 48 -3.566 -5.371 -5.347 1.00 0.00 C ATOM 701 O TYR A 48 -4.192 -4.925 -6.308 1.00 0.00 O ATOM 702 CB TYR A 48 -3.962 -4.196 -3.175 1.00 0.00 C ATOM 703 CG TYR A 48 -5.020 -3.171 -3.512 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.716 -1.816 -3.551 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.326 -3.557 -3.791 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.680 -0.875 -3.858 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.296 -2.624 -4.100 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.969 -1.284 -4.132 1.00 0.00 C ATOM 709 OH TYR A 48 -7.932 -0.351 -4.439 1.00 0.00 O ATOM 0 H TYR A 48 -3.090 -2.920 -5.747 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.067 -4.908 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.448 -5.139 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.423 -3.870 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.708 -1.492 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.587 -4.605 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.426 0.174 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.305 -2.942 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.506 0.445 -4.820 1.00 0.00 H new ATOM 719 N ARG A 49 -3.374 -6.671 -5.148 1.00 0.00 N ATOM 720 CA ARG A 49 -3.901 -7.671 -6.070 1.00 0.00 C ATOM 721 C ARG A 49 -3.885 -9.058 -5.435 1.00 0.00 C ATOM 722 O ARG A 49 -2.979 -9.412 -4.681 1.00 0.00 O ATOM 723 CB ARG A 49 -3.085 -7.682 -7.364 1.00 0.00 C ATOM 724 CG ARG A 49 -1.678 -8.230 -7.192 1.00 0.00 C ATOM 725 CD ARG A 49 -1.630 -9.730 -7.436 1.00 0.00 C ATOM 726 NE ARG A 49 -0.327 -10.298 -7.100 1.00 0.00 N ATOM 727 CZ ARG A 49 0.767 -10.108 -7.828 1.00 0.00 C ATOM 728 NH1 ARG A 49 0.716 -9.368 -8.927 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.916 -10.658 -7.457 1.00 0.00 N ATOM 0 H ARG A 49 -2.858 -7.057 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.933 -7.408 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.610 -8.279 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.025 -6.666 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.003 -7.726 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.322 -8.013 -6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.402 -10.219 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.856 -9.934 -8.483 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.253 -10.872 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.165 -8.943 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.558 -9.224 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.959 -11.227 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.756 -10.511 -8.017 1.00 0.00 H new ATOM 743 N PRO A 50 -4.913 -9.862 -5.745 1.00 0.00 N ATOM 744 CA PRO A 50 -5.041 -11.223 -5.215 1.00 0.00 C ATOM 745 C PRO A 50 -3.996 -12.171 -5.794 1.00 0.00 C ATOM 746 O PRO A 50 -3.676 -12.109 -6.981 1.00 0.00 O ATOM 747 CB PRO A 50 -6.446 -11.644 -5.652 1.00 0.00 C ATOM 748 CG PRO A 50 -6.730 -10.817 -6.858 1.00 0.00 C ATOM 749 CD PRO A 50 -6.029 -9.506 -6.637 1.00 0.00 C ATOM 0 HA PRO A 50 -4.888 -11.256 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.487 -12.708 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.177 -11.461 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.366 -11.307 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.802 -10.669 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.673 -9.077 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.689 -8.769 -6.180 1.00 0.00 H new ATOM 757 N THR A 51 -3.468 -13.051 -4.948 1.00 0.00 N ATOM 758 CA THR A 51 -2.459 -14.012 -5.376 1.00 0.00 C ATOM 759 C THR A 51 -2.930 -14.798 -6.594 1.00 0.00 C ATOM 760 O THR A 51 -2.120 -15.325 -7.356 1.00 0.00 O ATOM 761 CB THR A 51 -2.108 -14.998 -4.246 1.00 0.00 C ATOM 762 OG1 THR A 51 -0.764 -15.466 -4.404 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.065 -16.181 -4.244 1.00 0.00 C ATOM 0 H THR A 51 -3.723 -13.118 -3.963 1.00 0.00 H new ATOM 0 HA THR A 51 -1.569 -13.440 -5.639 1.00 0.00 H new ATOM 0 HB THR A 51 -2.200 -14.474 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.548 -16.091 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.798 -16.864 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.084 -15.824 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.000 -16.703 -5.198 1.00 0.00 H new ATOM 771 N ASP A 52 -4.245 -14.872 -6.772 1.00 0.00 N ATOM 772 CA ASP A 52 -4.824 -15.593 -7.900 1.00 0.00 C ATOM 773 C ASP A 52 -4.656 -14.803 -9.194 1.00 0.00 C ATOM 774 O ASP A 52 -4.611 -15.377 -10.282 1.00 0.00 O ATOM 775 CB ASP A 52 -6.306 -15.872 -7.647 1.00 0.00 C ATOM 776 CG ASP A 52 -7.040 -16.290 -8.906 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.556 -17.210 -9.597 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.098 -15.695 -9.201 1.00 0.00 O ATOM 0 H ASP A 52 -4.929 -14.442 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.296 -16.541 -8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.402 -16.657 -6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.776 -14.979 -7.236 1.00 0.00 H new ATOM 783 N SER A 53 -4.565 -13.483 -9.068 1.00 0.00 N ATOM 784 CA SER A 53 -4.407 -12.614 -10.228 1.00 0.00 C ATOM 785 C SER A 53 -3.433 -13.221 -11.233 1.00 0.00 C ATOM 786 O SER A 53 -2.663 -14.123 -10.902 1.00 0.00 O ATOM 787 CB SER A 53 -3.913 -11.232 -9.793 1.00 0.00 C ATOM 788 OG SER A 53 -4.983 -10.437 -9.313 1.00 0.00 O ATOM 0 H SER A 53 -4.598 -12.992 -8.174 1.00 0.00 H new ATOM 0 HA SER A 53 -5.380 -12.510 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.158 -11.340 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.433 -10.732 -10.634 1.00 0.00 H new ATOM 0 HG SER A 53 -5.778 -10.590 -9.866 1.00 0.00 H new ATOM 794 N ASP A 54 -3.473 -12.720 -12.463 1.00 0.00 N ATOM 795 CA ASP A 54 -2.594 -13.211 -13.518 1.00 0.00 C ATOM 796 C ASP A 54 -1.273 -12.447 -13.525 1.00 0.00 C ATOM 797 O ASP A 54 -0.204 -13.036 -13.374 1.00 0.00 O ATOM 798 CB ASP A 54 -3.277 -13.085 -14.880 1.00 0.00 C ATOM 799 CG ASP A 54 -2.791 -14.125 -15.870 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.375 -15.229 -15.906 1.00 0.00 O ATOM 801 OD2 ASP A 54 -1.828 -13.836 -16.610 1.00 0.00 O ATOM 0 H ASP A 54 -4.105 -11.974 -12.754 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.384 -14.262 -13.321 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.355 -13.184 -14.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.094 -12.089 -15.284 1.00 0.00 H new ATOM 806 N ASN A 55 -1.357 -11.132 -13.701 1.00 0.00 N ATOM 807 CA ASN A 55 -0.168 -10.288 -13.729 1.00 0.00 C ATOM 808 C ASN A 55 -0.451 -8.930 -13.094 1.00 0.00 C ATOM 809 O ASN A 55 -1.542 -8.690 -12.576 1.00 0.00 O ATOM 810 CB ASN A 55 0.315 -10.100 -15.168 1.00 0.00 C ATOM 811 CG ASN A 55 -0.542 -9.118 -15.943 1.00 0.00 C ATOM 812 OD1 ASN A 55 -0.129 -7.989 -16.206 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.744 -9.546 -16.312 1.00 0.00 N ATOM 0 H ASN A 55 -2.235 -10.628 -13.826 1.00 0.00 H new ATOM 0 HA ASN A 55 0.613 -10.783 -13.153 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.347 -9.749 -15.159 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.311 -11.063 -15.678 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.366 -8.930 -16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.045 -10.491 -16.072 1.00 0.00 H new ATOM 820 N ASP A 56 0.539 -8.045 -13.139 1.00 0.00 N ATOM 821 CA ASP A 56 0.397 -6.709 -12.570 1.00 0.00 C ATOM 822 C ASP A 56 -0.849 -6.017 -13.114 1.00 0.00 C ATOM 823 O ASP A 56 -1.389 -5.106 -12.486 1.00 0.00 O ATOM 824 CB ASP A 56 1.637 -5.868 -12.874 1.00 0.00 C ATOM 825 CG ASP A 56 2.894 -6.709 -12.986 1.00 0.00 C ATOM 826 OD1 ASP A 56 3.119 -7.297 -14.064 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.651 -6.779 -11.995 1.00 0.00 O ATOM 0 H ASP A 56 1.448 -8.228 -13.563 1.00 0.00 H new ATOM 0 HA ASP A 56 0.292 -6.810 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.484 -5.323 -13.806 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.770 -5.124 -12.088 1.00 0.00 H new ATOM 832 N SER A 57 -1.299 -6.454 -14.286 1.00 0.00 N ATOM 833 CA SER A 57 -2.478 -5.872 -14.917 1.00 0.00 C ATOM 834 C SER A 57 -3.624 -5.751 -13.918 1.00 0.00 C ATOM 835 O SER A 57 -4.553 -4.967 -14.115 1.00 0.00 O ATOM 836 CB SER A 57 -2.915 -6.723 -16.111 1.00 0.00 C ATOM 837 OG SER A 57 -3.944 -6.082 -16.844 1.00 0.00 O ATOM 0 H SER A 57 -0.865 -7.209 -14.818 1.00 0.00 H new ATOM 0 HA SER A 57 -2.217 -4.873 -15.267 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.061 -6.907 -16.762 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.264 -7.694 -15.761 1.00 0.00 H new ATOM 0 HG SER A 57 -4.205 -6.645 -17.603 1.00 0.00 H new ATOM 843 N ASP A 58 -3.552 -6.532 -12.846 1.00 0.00 N ATOM 844 CA ASP A 58 -4.583 -6.513 -11.815 1.00 0.00 C ATOM 845 C ASP A 58 -4.270 -5.462 -10.754 1.00 0.00 C ATOM 846 O ASP A 58 -5.165 -4.769 -10.269 1.00 0.00 O ATOM 847 CB ASP A 58 -4.709 -7.891 -11.163 1.00 0.00 C ATOM 848 CG ASP A 58 -4.879 -9.000 -12.183 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.028 -9.106 -13.090 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.863 -9.761 -12.074 1.00 0.00 O ATOM 0 H ASP A 58 -2.790 -7.186 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.531 -6.256 -12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.822 -8.088 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.562 -7.892 -10.484 1.00 0.00 H new ATOM 855 N TYR A 59 -2.995 -5.349 -10.398 1.00 0.00 N ATOM 856 CA TYR A 59 -2.565 -4.385 -9.393 1.00 0.00 C ATOM 857 C TYR A 59 -3.323 -3.069 -9.539 1.00 0.00 C ATOM 858 O TYR A 59 -3.307 -2.444 -10.600 1.00 0.00 O ATOM 859 CB TYR A 59 -1.060 -4.135 -9.507 1.00 0.00 C ATOM 860 CG TYR A 59 -0.225 -5.070 -8.662 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.548 -5.312 -7.332 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.887 -5.711 -9.193 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.212 -6.165 -6.556 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.652 -6.567 -8.425 1.00 0.00 C ATOM 865 CZ TYR A 59 1.311 -6.791 -7.107 1.00 0.00 C ATOM 866 OH TYR A 59 2.072 -7.642 -6.338 1.00 0.00 O ATOM 0 H TYR A 59 -2.242 -5.913 -10.791 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.784 -4.802 -8.410 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.761 -4.237 -10.550 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.848 -3.107 -9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.408 -4.824 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.158 -5.537 -10.224 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.052 -6.341 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.513 -7.058 -8.854 1.00 0.00 H new ATOM 0 HH TYR A 59 2.808 -8.001 -6.877 1.00 0.00 H new ATOM 876 N LYS A 60 -3.987 -2.654 -8.466 1.00 0.00 N ATOM 877 CA LYS A 60 -4.751 -1.412 -8.472 1.00 0.00 C ATOM 878 C LYS A 60 -3.899 -0.247 -7.977 1.00 0.00 C ATOM 879 O LYS A 60 -2.705 -0.402 -7.721 1.00 0.00 O ATOM 880 CB LYS A 60 -5.999 -1.552 -7.597 1.00 0.00 C ATOM 881 CG LYS A 60 -7.145 -2.275 -8.284 1.00 0.00 C ATOM 882 CD LYS A 60 -8.214 -2.697 -7.291 1.00 0.00 C ATOM 883 CE LYS A 60 -9.232 -3.629 -7.929 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.323 -3.991 -6.983 1.00 0.00 N ATOM 0 H LYS A 60 -4.012 -3.160 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.055 -1.207 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.735 -2.089 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.335 -0.560 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.586 -1.625 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.763 -3.154 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.746 -3.194 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.721 -1.813 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.660 -3.151 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.731 -4.535 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.996 -4.627 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.918 -4.470 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.818 -3.129 -6.678 1.00 0.00 H new ATOM 898 N LYS A 61 -4.521 0.919 -7.841 1.00 0.00 N ATOM 899 CA LYS A 61 -3.822 2.110 -7.374 1.00 0.00 C ATOM 900 C LYS A 61 -4.750 2.999 -6.552 1.00 0.00 C ATOM 901 O LYS A 61 -5.784 3.454 -7.042 1.00 0.00 O ATOM 902 CB LYS A 61 -3.264 2.898 -8.561 1.00 0.00 C ATOM 903 CG LYS A 61 -2.333 4.028 -8.158 1.00 0.00 C ATOM 904 CD LYS A 61 -1.545 4.553 -9.347 1.00 0.00 C ATOM 905 CE LYS A 61 -2.416 5.402 -10.261 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.601 6.214 -11.206 1.00 0.00 N ATOM 0 H LYS A 61 -5.509 1.065 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.997 1.790 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.728 2.215 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.094 3.310 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.913 4.839 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.644 3.676 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.701 5.145 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.133 3.716 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.089 4.756 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.039 6.063 -9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.231 6.778 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.977 6.849 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.025 5.583 -11.799 1.00 0.00 H new ATOM 920 N ASP A 62 -4.374 3.242 -5.301 1.00 0.00 N ATOM 921 CA ASP A 62 -5.172 4.079 -4.412 1.00 0.00 C ATOM 922 C ASP A 62 -4.392 5.320 -3.989 1.00 0.00 C ATOM 923 O ASP A 62 -3.421 5.229 -3.238 1.00 0.00 O ATOM 924 CB ASP A 62 -5.600 3.285 -3.177 1.00 0.00 C ATOM 925 CG ASP A 62 -6.849 2.462 -3.422 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.154 2.183 -4.601 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.523 2.096 -2.436 1.00 0.00 O ATOM 0 H ASP A 62 -3.522 2.872 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.061 4.398 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.787 2.625 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.778 3.973 -2.350 1.00 0.00 H new ATOM 932 N MET A 63 -4.823 6.479 -4.477 1.00 0.00 N ATOM 933 CA MET A 63 -4.165 7.738 -4.149 1.00 0.00 C ATOM 934 C MET A 63 -4.481 8.159 -2.717 1.00 0.00 C ATOM 935 O MET A 63 -5.645 8.233 -2.323 1.00 0.00 O ATOM 936 CB MET A 63 -4.600 8.834 -5.123 1.00 0.00 C ATOM 937 CG MET A 63 -3.599 9.972 -5.244 1.00 0.00 C ATOM 938 SD MET A 63 -4.382 11.546 -5.644 1.00 0.00 S ATOM 939 CE MET A 63 -4.540 12.270 -4.013 1.00 0.00 C ATOM 0 H MET A 63 -5.625 6.572 -5.101 1.00 0.00 H new ATOM 0 HA MET A 63 -3.089 7.591 -4.237 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.757 8.393 -6.107 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.559 9.238 -4.798 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.052 10.071 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.868 9.728 -6.015 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.009 13.251 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.155 11.624 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.552 12.376 -3.565 1.00 0.00 H new ATOM 949 N VAL A 64 -3.436 8.435 -1.942 1.00 0.00 N ATOM 950 CA VAL A 64 -3.602 8.849 -0.554 1.00 0.00 C ATOM 951 C VAL A 64 -2.932 10.194 -0.298 1.00 0.00 C ATOM 952 O VAL A 64 -2.031 10.599 -1.033 1.00 0.00 O ATOM 953 CB VAL A 64 -3.020 7.805 0.417 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.418 8.128 1.849 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.477 6.406 0.031 1.00 0.00 C ATOM 0 H VAL A 64 -2.466 8.379 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.674 8.941 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.933 7.839 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.998 7.380 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.037 9.113 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.505 8.123 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.056 5.681 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.565 6.356 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.137 6.178 -0.979 1.00 0.00 H new ATOM 965 N GLU A 65 -3.377 10.882 0.749 1.00 0.00 N ATOM 966 CA GLU A 65 -2.819 12.182 1.101 1.00 0.00 C ATOM 967 C GLU A 65 -1.304 12.098 1.264 1.00 0.00 C ATOM 968 O GLU A 65 -0.763 11.049 1.612 1.00 0.00 O ATOM 969 CB GLU A 65 -3.454 12.702 2.392 1.00 0.00 C ATOM 970 CG GLU A 65 -4.893 12.253 2.586 1.00 0.00 C ATOM 971 CD GLU A 65 -5.613 13.049 3.657 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.851 14.256 3.441 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.940 12.465 4.711 1.00 0.00 O ATOM 0 H GLU A 65 -4.122 10.561 1.368 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.042 12.876 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.859 12.365 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.419 13.791 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.431 12.351 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.907 11.196 2.853 1.00 0.00 H new ATOM 980 N GLY A 66 -0.624 13.212 1.010 1.00 0.00 N ATOM 981 CA GLY A 66 0.821 13.244 1.134 1.00 0.00 C ATOM 982 C GLY A 66 1.278 13.359 2.574 1.00 0.00 C ATOM 983 O GLY A 66 2.456 13.170 2.876 1.00 0.00 O ATOM 0 H GLY A 66 -1.049 14.093 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.240 12.339 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.213 14.086 0.564 1.00 0.00 H new ATOM 987 N ASP A 67 0.344 13.672 3.466 1.00 0.00 N ATOM 988 CA ASP A 67 0.656 13.813 4.883 1.00 0.00 C ATOM 989 C ASP A 67 0.173 12.599 5.670 1.00 0.00 C ATOM 990 O ASP A 67 0.438 12.476 6.866 1.00 0.00 O ATOM 991 CB ASP A 67 0.020 15.086 5.444 1.00 0.00 C ATOM 992 CG ASP A 67 0.739 16.341 4.989 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.842 16.613 5.507 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.198 17.052 4.116 1.00 0.00 O ATOM 0 H ASP A 67 -0.636 13.833 3.232 1.00 0.00 H new ATOM 0 HA ASP A 67 1.739 13.882 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.023 15.135 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.026 15.042 6.533 1.00 0.00 H new ATOM 999 N ARG A 68 -0.539 11.705 4.991 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.062 10.502 5.626 1.00 0.00 C ATOM 1001 C ARG A 68 -0.085 9.340 5.477 1.00 0.00 C ATOM 1002 O ARG A 68 0.366 9.033 4.373 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.415 10.126 5.020 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.233 9.187 5.891 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.129 9.955 6.850 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.443 10.280 8.098 1.00 0.00 N ATOM 1007 CZ ARG A 68 -3.961 11.063 9.038 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -5.164 11.596 8.874 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -3.275 11.312 10.146 1.00 0.00 N ATOM 0 H ARG A 68 -0.767 11.792 4.001 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.193 10.710 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.989 11.035 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.251 9.657 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.843 8.542 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.564 8.539 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.468 10.874 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.018 9.363 7.068 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.516 9.884 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.695 11.405 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.559 12.197 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.350 10.902 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.673 11.913 10.868 1.00 0.00 H new ATOM 1023 N TYR A 69 0.237 8.697 6.594 1.00 0.00 N ATOM 1024 CA TYR A 69 1.163 7.571 6.588 1.00 0.00 C ATOM 1025 C TYR A 69 0.426 6.259 6.837 1.00 0.00 C ATOM 1026 O TYR A 69 1.037 5.245 7.174 1.00 0.00 O ATOM 1027 CB TYR A 69 2.247 7.769 7.649 1.00 0.00 C ATOM 1028 CG TYR A 69 3.416 8.600 7.171 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.215 9.821 6.539 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.724 8.165 7.354 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.280 10.583 6.101 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.795 8.922 6.920 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.568 10.130 6.294 1.00 0.00 C ATOM 1034 OH TYR A 69 6.632 10.887 5.860 1.00 0.00 O ATOM 0 H TYR A 69 -0.130 8.936 7.515 1.00 0.00 H new ATOM 0 HA TYR A 69 1.631 7.523 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.805 8.247 8.523 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.612 6.793 7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.208 10.180 6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.906 7.220 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.105 11.529 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.805 8.570 7.070 1.00 0.00 H new ATOM 0 HH TYR A 69 7.282 10.984 6.587 1.00 0.00 H new ATOM 1044 N TRP A 70 -0.891 6.287 6.668 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.713 5.099 6.873 1.00 0.00 C ATOM 1046 C TRP A 70 -2.903 5.090 5.920 1.00 0.00 C ATOM 1047 O TRP A 70 -3.388 6.144 5.506 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.203 5.038 8.321 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.356 5.955 8.598 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.291 7.222 9.103 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.744 5.674 8.387 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.556 7.746 9.218 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.465 6.817 8.785 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.447 4.570 7.899 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.853 6.884 8.710 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.826 4.638 7.826 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.517 5.789 8.229 1.00 0.00 C ATOM 0 H TRP A 70 -1.413 7.118 6.390 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.100 4.222 6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.498 4.015 8.554 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.378 5.292 8.987 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.380 7.736 9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.782 8.677 9.569 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.923 3.680 7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.387 7.770 9.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.380 3.790 7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.594 5.812 8.158 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.371 3.894 5.576 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.506 3.748 4.672 1.00 0.00 C ATOM 1070 C HIS A 71 -5.232 2.429 4.919 1.00 0.00 C ATOM 1071 O HIS A 71 -4.617 1.434 5.302 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.039 3.822 3.218 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.157 3.730 2.225 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.023 4.771 1.967 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.546 2.711 1.423 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.898 4.397 1.050 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.630 3.151 0.703 1.00 0.00 N ATOM 0 H HIS A 71 -2.982 3.012 5.910 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.200 4.566 4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.503 4.759 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.330 3.015 3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.089 1.734 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.696 5.006 0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.144 2.604 0.012 1.00 0.00 H new ATOM 1086 N SER A 72 -6.543 2.430 4.698 1.00 0.00 N ATOM 1087 CA SER A 72 -7.353 1.235 4.902 1.00 0.00 C ATOM 1088 C SER A 72 -8.010 0.796 3.597 1.00 0.00 C ATOM 1089 O SER A 72 -8.967 1.416 3.132 1.00 0.00 O ATOM 1090 CB SER A 72 -8.423 1.493 5.964 1.00 0.00 C ATOM 1091 OG SER A 72 -9.306 2.525 5.558 1.00 0.00 O ATOM 0 H SER A 72 -7.066 3.245 4.378 1.00 0.00 H new ATOM 0 HA SER A 72 -6.697 0.435 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.987 0.578 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.947 1.767 6.905 1.00 0.00 H new ATOM 0 HG SER A 72 -9.461 2.462 4.592 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.490 -0.277 3.011 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.026 -0.801 1.761 1.00 0.00 C ATOM 1099 C ILE A 73 -9.330 -1.555 1.995 1.00 0.00 C ATOM 1100 O ILE A 73 -9.529 -2.160 3.049 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.021 -1.738 1.066 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.640 -1.082 0.999 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.510 -2.099 -0.328 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.505 -2.074 0.871 1.00 0.00 C ATOM 0 H ILE A 73 -6.697 -0.801 3.382 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.216 0.056 1.116 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.939 -2.655 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.612 -0.399 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.488 -0.482 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.789 -2.762 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.474 -2.603 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.618 -1.191 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.557 -1.538 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.507 -2.742 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.633 -2.657 -0.041 1.00 0.00 H new ATOM 1116 N SER A 74 -10.216 -1.517 1.005 1.00 0.00 N ATOM 1117 CA SER A 74 -11.502 -2.196 1.103 1.00 0.00 C ATOM 1118 C SER A 74 -11.823 -2.942 -0.188 1.00 0.00 C ATOM 1119 O SER A 74 -11.035 -2.937 -1.134 1.00 0.00 O ATOM 1120 CB SER A 74 -12.612 -1.189 1.413 1.00 0.00 C ATOM 1121 OG SER A 74 -12.216 -0.294 2.439 1.00 0.00 O ATOM 0 H SER A 74 -10.066 -1.023 0.125 1.00 0.00 H new ATOM 0 HA SER A 74 -11.441 -2.921 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.860 -0.628 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.514 -1.720 1.717 1.00 0.00 H new ATOM 0 HG SER A 74 -12.941 0.340 2.618 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.987 -3.584 -0.220 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.414 -4.335 -1.395 1.00 0.00 C ATOM 1129 C HIS A 75 -12.428 -5.455 -1.712 1.00 0.00 C ATOM 1130 O HIS A 75 -12.001 -5.615 -2.856 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.550 -3.403 -2.600 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.715 -2.467 -2.506 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.784 -2.506 -3.375 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -14.976 -1.464 -1.636 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.652 -1.566 -3.046 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.186 -0.920 -1.993 1.00 0.00 N ATOM 0 H HIS A 75 -13.651 -3.599 0.554 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.385 -4.780 -1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.634 -2.821 -2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.649 -4.004 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.350 -1.150 -0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.584 -1.361 -3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.649 -0.143 -1.521 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.071 -6.228 -0.692 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.135 -7.333 -0.861 1.00 0.00 C ATOM 1147 C LEU A 76 -11.831 -8.674 -0.651 1.00 0.00 C ATOM 1148 O LEU A 76 -13.043 -8.728 -0.445 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.968 -7.193 0.118 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.301 -5.818 0.176 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.626 -5.609 1.523 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.297 -5.664 -0.956 1.00 0.00 C ATOM 0 H LEU A 76 -12.416 -6.110 0.261 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.752 -7.299 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.326 -7.443 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.210 -7.931 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.071 -5.056 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.157 -4.625 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.370 -5.675 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.867 -6.377 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.832 -4.680 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.530 -6.433 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.809 -5.769 -1.913 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.056 -9.752 -0.703 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.599 -11.093 -0.516 1.00 0.00 C ATOM 1166 C GLN A 77 -11.326 -11.599 0.896 1.00 0.00 C ATOM 1167 O GLN A 77 -10.271 -11.349 1.479 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.999 -12.056 -1.542 1.00 0.00 C ATOM 1169 CG GLN A 77 -10.989 -11.507 -2.959 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.047 -10.331 -3.123 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -10.413 -9.301 -3.689 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -8.824 -10.478 -2.627 1.00 0.00 N ATOM 0 H GLN A 77 -10.051 -9.724 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.678 -11.045 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.978 -12.297 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.564 -12.988 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.699 -12.299 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.998 -11.200 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.562 -11.349 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.146 -9.720 -2.708 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.299 -12.330 1.461 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.187 -12.887 2.813 1.00 0.00 C ATOM 1183 C PRO A 78 -11.161 -14.013 2.892 1.00 0.00 C ATOM 1184 O PRO A 78 -10.950 -14.741 1.922 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.592 -13.424 3.093 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.167 -13.703 1.747 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.583 -12.668 0.825 1.00 0.00 C ATOM 0 HA PRO A 78 -11.849 -12.143 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.556 -14.327 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.193 -12.695 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.913 -14.710 1.415 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.255 -13.639 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.442 -13.061 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.231 -11.796 0.739 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.527 -14.149 4.052 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.523 -15.187 4.256 1.00 0.00 C ATOM 1197 C GLU A 79 -8.737 -15.443 2.973 1.00 0.00 C ATOM 1198 O GLU A 79 -8.475 -16.590 2.610 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.185 -16.482 4.729 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.597 -16.672 4.201 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.136 -18.065 4.465 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.606 -19.029 3.874 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.089 -18.190 5.263 1.00 0.00 O ATOM 0 H GLU A 79 -10.690 -13.554 4.864 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.830 -14.841 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.573 -17.328 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.209 -16.491 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.256 -15.938 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.609 -16.479 3.128 1.00 0.00 H new ATOM 1210 N THR A 80 -8.364 -14.366 2.289 1.00 0.00 N ATOM 1211 CA THR A 80 -7.611 -14.473 1.046 1.00 0.00 C ATOM 1212 C THR A 80 -6.215 -13.879 1.197 1.00 0.00 C ATOM 1213 O THR A 80 -6.044 -12.660 1.190 1.00 0.00 O ATOM 1214 CB THR A 80 -8.335 -13.763 -0.113 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.624 -14.353 -0.320 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.520 -13.850 -1.395 1.00 0.00 C ATOM 0 H THR A 80 -8.571 -13.409 2.575 1.00 0.00 H new ATOM 0 HA THR A 80 -7.529 -15.535 0.817 1.00 0.00 H new ATOM 0 HB THR A 80 -8.455 -12.712 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.194 -14.175 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.052 -13.342 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.551 -13.374 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.373 -14.896 -1.662 1.00 0.00 H new ATOM 1224 N SER A 81 -5.218 -14.749 1.332 1.00 0.00 N ATOM 1225 CA SER A 81 -3.837 -14.310 1.488 1.00 0.00 C ATOM 1226 C SER A 81 -3.268 -13.825 0.158 1.00 0.00 C ATOM 1227 O SER A 81 -3.010 -14.620 -0.746 1.00 0.00 O ATOM 1228 CB SER A 81 -2.976 -15.449 2.039 1.00 0.00 C ATOM 1229 OG SER A 81 -1.899 -14.947 2.810 1.00 0.00 O ATOM 0 H SER A 81 -5.342 -15.761 1.336 1.00 0.00 H new ATOM 0 HA SER A 81 -3.823 -13.480 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.590 -16.109 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.589 -16.048 1.215 1.00 0.00 H new ATOM 0 HG SER A 81 -1.365 -15.694 3.152 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.074 -12.516 0.047 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.538 -11.923 -1.173 1.00 0.00 C ATOM 1237 C TYR A 82 -1.441 -10.913 -0.851 1.00 0.00 C ATOM 1238 O TYR A 82 -1.377 -10.381 0.257 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.655 -11.244 -1.968 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.549 -10.363 -1.126 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.084 -9.159 -0.611 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.858 -10.734 -0.844 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.897 -8.350 0.160 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.678 -9.931 -0.075 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.193 -8.740 0.425 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.006 -7.938 1.192 1.00 0.00 O ATOM 0 H TYR A 82 -3.280 -11.845 0.787 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.106 -12.722 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.211 -10.643 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.263 -12.009 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.070 -8.850 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.241 -11.666 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.520 -7.417 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.693 -10.234 0.134 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.877 -8.372 1.309 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.580 -10.653 -1.829 1.00 0.00 N ATOM 1257 CA ASP A 83 0.514 -9.706 -1.652 1.00 0.00 C ATOM 1258 C ASP A 83 0.001 -8.270 -1.693 1.00 0.00 C ATOM 1259 O ASP A 83 -1.028 -7.985 -2.305 1.00 0.00 O ATOM 1260 CB ASP A 83 1.575 -9.912 -2.734 1.00 0.00 C ATOM 1261 CG ASP A 83 0.972 -10.300 -4.070 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -0.190 -9.924 -4.328 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.662 -10.981 -4.858 1.00 0.00 O ATOM 0 H ASP A 83 -0.619 -11.085 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 83 0.963 -9.885 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.152 -8.995 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.271 -10.688 -2.414 1.00 0.00 H new ATOM 1268 N ILE A 84 0.726 -7.370 -1.036 1.00 0.00 N ATOM 1269 CA ILE A 84 0.344 -5.964 -0.998 1.00 0.00 C ATOM 1270 C ILE A 84 1.572 -5.060 -0.997 1.00 0.00 C ATOM 1271 O ILE A 84 2.536 -5.304 -0.271 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.513 -5.647 0.242 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.788 -6.493 0.238 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.855 -4.165 0.286 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.435 -6.617 1.600 1.00 0.00 C ATOM 0 H ILE A 84 1.580 -7.590 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.244 -5.773 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 84 0.062 -5.894 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.504 -6.054 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.552 -7.490 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.461 -3.957 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.064 -3.581 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.414 -3.894 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.333 -7.230 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.736 -7.084 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.703 -5.626 1.967 1.00 0.00 H new ATOM 1287 N LYS A 85 1.530 -4.014 -1.815 1.00 0.00 N ATOM 1288 CA LYS A 85 2.638 -3.070 -1.908 1.00 0.00 C ATOM 1289 C LYS A 85 2.130 -1.662 -2.204 1.00 0.00 C ATOM 1290 O LYS A 85 0.963 -1.473 -2.545 1.00 0.00 O ATOM 1291 CB LYS A 85 3.619 -3.510 -2.997 1.00 0.00 C ATOM 1292 CG LYS A 85 3.055 -3.404 -4.403 1.00 0.00 C ATOM 1293 CD LYS A 85 4.144 -3.547 -5.453 1.00 0.00 C ATOM 1294 CE LYS A 85 3.587 -4.078 -6.765 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.099 -2.980 -7.645 1.00 0.00 N ATOM 0 H LYS A 85 0.740 -3.798 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 85 3.153 -3.056 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.521 -2.901 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.916 -4.542 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.301 -4.176 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.556 -2.443 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.617 -2.580 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.918 -4.221 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.360 -4.644 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.770 -4.769 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.606 -3.386 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.443 -2.374 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.907 -2.413 -7.972 1.00 0.00 H new ATOM 1309 N MET A 86 3.015 -0.680 -2.074 1.00 0.00 N ATOM 1310 CA MET A 86 2.656 0.710 -2.331 1.00 0.00 C ATOM 1311 C MET A 86 3.867 1.505 -2.811 1.00 0.00 C ATOM 1312 O MET A 86 4.992 1.008 -2.793 1.00 0.00 O ATOM 1313 CB MET A 86 2.079 1.352 -1.068 1.00 0.00 C ATOM 1314 CG MET A 86 2.999 1.256 0.138 1.00 0.00 C ATOM 1315 SD MET A 86 2.581 2.445 1.427 1.00 0.00 S ATOM 1316 CE MET A 86 2.473 3.956 0.472 1.00 0.00 C ATOM 0 H MET A 86 3.985 -0.820 -1.792 1.00 0.00 H new ATOM 0 HA MET A 86 1.900 0.724 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.866 2.402 -1.269 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.129 0.874 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.949 0.248 0.549 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.028 1.419 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.852 4.789 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.068 3.856 -0.436 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.433 4.144 0.205 1.00 0.00 H new ATOM 1326 N GLN A 87 3.626 2.740 -3.240 1.00 0.00 N ATOM 1327 CA GLN A 87 4.698 3.601 -3.726 1.00 0.00 C ATOM 1328 C GLN A 87 4.277 5.067 -3.688 1.00 0.00 C ATOM 1329 O GLN A 87 3.117 5.396 -3.936 1.00 0.00 O ATOM 1330 CB GLN A 87 5.091 3.207 -5.151 1.00 0.00 C ATOM 1331 CG GLN A 87 5.675 4.354 -5.960 1.00 0.00 C ATOM 1332 CD GLN A 87 4.618 5.134 -6.715 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.153 6.178 -6.256 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.231 4.631 -7.882 1.00 0.00 N ATOM 0 H GLN A 87 2.700 3.166 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 87 5.560 3.472 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.819 2.397 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.213 2.819 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.211 5.029 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.405 3.960 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.643 3.763 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.522 5.113 -8.435 1.00 0.00 H new ATOM 1343 N CYS A 88 5.227 5.941 -3.377 1.00 0.00 N ATOM 1344 CA CYS A 88 4.955 7.373 -3.306 1.00 0.00 C ATOM 1345 C CYS A 88 5.378 8.071 -4.594 1.00 0.00 C ATOM 1346 O CYS A 88 6.084 7.495 -5.422 1.00 0.00 O ATOM 1347 CB CYS A 88 5.682 7.992 -2.112 1.00 0.00 C ATOM 1348 SG CYS A 88 7.401 8.444 -2.448 1.00 0.00 S ATOM 0 H CYS A 88 6.192 5.684 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 88 3.881 7.509 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.140 8.881 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.659 7.287 -1.281 1.00 0.00 H new ATOM 0 HG CYS A 88 7.931 8.961 -1.379 1.00 0.00 H new ATOM 1354 N PHE A 89 4.941 9.316 -4.757 1.00 0.00 N ATOM 1355 CA PHE A 89 5.273 10.093 -5.945 1.00 0.00 C ATOM 1356 C PHE A 89 5.275 11.587 -5.635 1.00 0.00 C ATOM 1357 O PHE A 89 4.711 12.024 -4.633 1.00 0.00 O ATOM 1358 CB PHE A 89 4.278 9.795 -7.069 1.00 0.00 C ATOM 1359 CG PHE A 89 2.862 10.162 -6.728 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.177 9.485 -5.732 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.215 11.184 -7.405 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.874 9.820 -5.415 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.912 11.524 -7.092 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.241 10.840 -6.098 1.00 0.00 C ATOM 0 H PHE A 89 4.356 9.808 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 89 6.273 9.806 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.580 10.338 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.322 8.733 -7.310 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.667 8.685 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.734 11.720 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.352 9.285 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.419 12.324 -7.625 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.778 11.102 -5.855 1.00 0.00 H new ATOM 1374 N ASN A 90 5.915 12.364 -6.503 1.00 0.00 N ATOM 1375 CA ASN A 90 5.993 13.809 -6.321 1.00 0.00 C ATOM 1376 C ASN A 90 6.041 14.525 -7.668 1.00 0.00 C ATOM 1377 O ASN A 90 6.254 13.899 -8.706 1.00 0.00 O ATOM 1378 CB ASN A 90 7.226 14.175 -5.493 1.00 0.00 C ATOM 1379 CG ASN A 90 7.647 15.619 -5.688 1.00 0.00 C ATOM 1380 OD1 ASN A 90 6.897 16.543 -5.373 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.851 15.819 -6.211 1.00 0.00 N ATOM 0 H ASN A 90 6.387 12.018 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 90 5.098 14.131 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.016 14.000 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.052 13.519 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.188 16.769 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.439 15.023 -6.457 1.00 0.00 H new ATOM 1388 N GLU A 91 5.841 15.839 -7.642 1.00 0.00 N ATOM 1389 CA GLU A 91 5.862 16.638 -8.861 1.00 0.00 C ATOM 1390 C GLU A 91 6.999 16.201 -9.780 1.00 0.00 C ATOM 1391 O GLU A 91 6.889 16.279 -11.002 1.00 0.00 O ATOM 1392 CB GLU A 91 6.008 18.123 -8.521 1.00 0.00 C ATOM 1393 CG GLU A 91 6.198 19.011 -9.739 1.00 0.00 C ATOM 1394 CD GLU A 91 4.887 19.359 -10.417 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.390 18.533 -11.211 1.00 0.00 O ATOM 1396 OE2 GLU A 91 4.357 20.459 -10.152 1.00 0.00 O ATOM 0 H GLU A 91 5.663 16.372 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 91 4.918 16.483 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.122 18.451 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.859 18.252 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.703 19.929 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.850 18.508 -10.453 1.00 0.00 H new ATOM 1403 N GLY A 92 8.093 15.741 -9.180 1.00 0.00 N ATOM 1404 CA GLY A 92 9.235 15.299 -9.958 1.00 0.00 C ATOM 1405 C GLY A 92 8.985 13.975 -10.654 1.00 0.00 C ATOM 1406 O GLY A 92 9.151 13.863 -11.868 1.00 0.00 O ATOM 0 H GLY A 92 8.208 15.667 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.479 16.057 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.102 15.204 -9.304 1.00 0.00 H new ATOM 1410 N GLY A 93 8.586 12.969 -9.882 1.00 0.00 N ATOM 1411 CA GLY A 93 8.321 11.659 -10.449 1.00 0.00 C ATOM 1412 C GLY A 93 8.088 10.604 -9.386 1.00 0.00 C ATOM 1413 O GLY A 93 8.529 10.753 -8.247 1.00 0.00 O ATOM 0 H GLY A 93 8.441 13.037 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.446 11.717 -11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.162 11.360 -11.075 1.00 0.00 H new ATOM 1417 N GLU A 94 7.392 9.534 -9.759 1.00 0.00 N ATOM 1418 CA GLU A 94 7.099 8.451 -8.828 1.00 0.00 C ATOM 1419 C GLU A 94 8.385 7.876 -8.241 1.00 0.00 C ATOM 1420 O GLU A 94 9.452 7.966 -8.849 1.00 0.00 O ATOM 1421 CB GLU A 94 6.306 7.346 -9.529 1.00 0.00 C ATOM 1422 CG GLU A 94 4.801 7.543 -9.464 1.00 0.00 C ATOM 1423 CD GLU A 94 4.083 6.945 -10.658 1.00 0.00 C ATOM 1424 OE1 GLU A 94 3.905 7.663 -11.665 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.698 5.759 -10.586 1.00 0.00 O ATOM 0 H GLU A 94 7.021 9.394 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 94 6.499 8.858 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.613 7.297 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.558 6.387 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.418 7.090 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.580 8.609 -9.408 1.00 0.00 H new ATOM 1432 N SER A 95 8.275 7.285 -7.056 1.00 0.00 N ATOM 1433 CA SER A 95 9.429 6.698 -6.384 1.00 0.00 C ATOM 1434 C SER A 95 9.529 5.205 -6.680 1.00 0.00 C ATOM 1435 O SER A 95 8.739 4.660 -7.451 1.00 0.00 O ATOM 1436 CB SER A 95 9.337 6.925 -4.874 1.00 0.00 C ATOM 1437 OG SER A 95 8.317 6.127 -4.300 1.00 0.00 O ATOM 0 H SER A 95 7.399 7.200 -6.541 1.00 0.00 H new ATOM 0 HA SER A 95 10.326 7.187 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.294 6.688 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.136 7.977 -4.673 1.00 0.00 H new ATOM 0 HG SER A 95 7.906 6.609 -3.553 1.00 0.00 H new ATOM 1443 N GLU A 96 10.505 4.549 -6.061 1.00 0.00 N ATOM 1444 CA GLU A 96 10.708 3.118 -6.258 1.00 0.00 C ATOM 1445 C GLU A 96 9.565 2.316 -5.644 1.00 0.00 C ATOM 1446 O GLU A 96 8.765 2.845 -4.872 1.00 0.00 O ATOM 1447 CB GLU A 96 12.040 2.680 -5.645 1.00 0.00 C ATOM 1448 CG GLU A 96 13.254 3.292 -6.324 1.00 0.00 C ATOM 1449 CD GLU A 96 13.608 2.593 -7.623 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.851 1.369 -7.592 1.00 0.00 O ATOM 1451 OE2 GLU A 96 13.643 3.272 -8.671 1.00 0.00 O ATOM 0 H GLU A 96 11.167 4.985 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 96 10.729 2.925 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.050 2.950 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.114 1.594 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.062 4.346 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.107 3.246 -5.647 1.00 0.00 H new ATOM 1458 N PHE A 97 9.494 1.036 -5.993 1.00 0.00 N ATOM 1459 CA PHE A 97 8.448 0.160 -5.478 1.00 0.00 C ATOM 1460 C PHE A 97 8.766 -0.290 -4.056 1.00 0.00 C ATOM 1461 O PHE A 97 9.812 -0.887 -3.802 1.00 0.00 O ATOM 1462 CB PHE A 97 8.282 -1.060 -6.386 1.00 0.00 C ATOM 1463 CG PHE A 97 7.546 -0.764 -7.661 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.910 0.314 -8.452 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.489 -1.562 -8.069 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.234 0.590 -9.627 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.811 -1.292 -9.242 1.00 0.00 C ATOM 1468 CZ PHE A 97 6.183 -0.214 -10.021 1.00 0.00 C ATOM 0 H PHE A 97 10.148 0.582 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 97 7.514 0.722 -5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.267 -1.459 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.749 -1.839 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.731 0.946 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.192 -2.405 -7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.528 1.433 -10.235 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.991 -1.923 -9.550 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.653 -0.000 -10.937 1.00 0.00 H new ATOM 1478 N SER A 98 7.857 0.002 -3.131 1.00 0.00 N ATOM 1479 CA SER A 98 8.042 -0.368 -1.733 1.00 0.00 C ATOM 1480 C SER A 98 8.198 -1.879 -1.587 1.00 0.00 C ATOM 1481 O SER A 98 8.250 -2.607 -2.577 1.00 0.00 O ATOM 1482 CB SER A 98 6.858 0.117 -0.894 1.00 0.00 C ATOM 1483 OG SER A 98 5.738 -0.735 -1.052 1.00 0.00 O ATOM 0 H SER A 98 6.985 0.494 -3.325 1.00 0.00 H new ATOM 0 HA SER A 98 8.953 0.111 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.144 0.155 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.591 1.132 -1.189 1.00 0.00 H new ATOM 0 HG SER A 98 5.125 -0.612 -0.298 1.00 0.00 H new ATOM 1489 N ASN A 99 8.272 -2.342 -0.344 1.00 0.00 N ATOM 1490 CA ASN A 99 8.423 -3.766 -0.066 1.00 0.00 C ATOM 1491 C ASN A 99 7.108 -4.506 -0.288 1.00 0.00 C ATOM 1492 O ASN A 99 6.069 -3.889 -0.526 1.00 0.00 O ATOM 1493 CB ASN A 99 8.905 -3.979 1.370 1.00 0.00 C ATOM 1494 CG ASN A 99 7.970 -3.359 2.391 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.194 -2.458 2.072 1.00 0.00 O ATOM 1496 ND2 ASN A 99 8.040 -3.841 3.627 1.00 0.00 N ATOM 0 H ASN A 99 8.230 -1.752 0.487 1.00 0.00 H new ATOM 0 HA ASN A 99 9.166 -4.168 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.995 -5.048 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.900 -3.549 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.435 -3.464 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.698 -4.588 3.846 1.00 0.00 H new ATOM 1503 N VAL A 100 7.160 -5.832 -0.209 1.00 0.00 N ATOM 1504 CA VAL A 100 5.973 -6.656 -0.400 1.00 0.00 C ATOM 1505 C VAL A 100 5.514 -7.272 0.918 1.00 0.00 C ATOM 1506 O VAL A 100 6.228 -8.070 1.523 1.00 0.00 O ATOM 1507 CB VAL A 100 6.229 -7.783 -1.418 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.953 -8.569 -1.677 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.786 -7.212 -2.714 1.00 0.00 C ATOM 0 H VAL A 100 8.012 -6.358 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 100 5.191 -6.000 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 100 6.969 -8.466 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.154 -9.361 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.601 -9.009 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.189 -7.901 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.961 -8.022 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.071 -6.507 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.725 -6.698 -2.511 1.00 0.00 H new ATOM 1519 N MET A 101 4.317 -6.895 1.355 1.00 0.00 N ATOM 1520 CA MET A 101 3.761 -7.412 2.601 1.00 0.00 C ATOM 1521 C MET A 101 2.511 -8.244 2.335 1.00 0.00 C ATOM 1522 O MET A 101 1.570 -7.779 1.691 1.00 0.00 O ATOM 1523 CB MET A 101 3.429 -6.261 3.552 1.00 0.00 C ATOM 1524 CG MET A 101 4.646 -5.461 3.987 1.00 0.00 C ATOM 1525 SD MET A 101 5.831 -6.450 4.918 1.00 0.00 S ATOM 1526 CE MET A 101 5.310 -6.110 6.598 1.00 0.00 C ATOM 0 H MET A 101 3.714 -6.234 0.866 1.00 0.00 H new ATOM 0 HA MET A 101 4.510 -8.053 3.066 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.720 -5.592 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.934 -6.662 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.137 -5.046 3.107 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.323 -4.618 4.598 1.00 0.00 H new ATOM 0 HE1 MET A 101 6.159 -6.222 7.272 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.928 -5.091 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.525 -6.810 6.884 1.00 0.00 H new ATOM 1536 N ILE A 102 2.509 -9.476 2.833 1.00 0.00 N ATOM 1537 CA ILE A 102 1.374 -10.372 2.649 1.00 0.00 C ATOM 1538 C ILE A 102 0.434 -10.321 3.848 1.00 0.00 C ATOM 1539 O ILE A 102 0.684 -10.955 4.874 1.00 0.00 O ATOM 1540 CB ILE A 102 1.834 -11.826 2.432 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.728 -11.922 1.195 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.630 -12.747 2.295 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.477 -13.232 1.091 1.00 0.00 C ATOM 0 H ILE A 102 3.280 -9.876 3.367 1.00 0.00 H new ATOM 0 HA ILE A 102 0.843 -10.031 1.760 1.00 0.00 H new ATOM 0 HB ILE A 102 2.412 -12.142 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.115 -11.791 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.446 -11.102 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.971 -13.771 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.028 -12.696 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.028 -12.434 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.091 -13.230 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.116 -13.356 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.765 -14.056 1.043 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.650 -9.564 3.712 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.629 -9.431 4.784 1.00 0.00 C ATOM 1557 C CYS A 103 -2.861 -10.286 4.504 1.00 0.00 C ATOM 1558 O CYS A 103 -3.631 -10.001 3.587 1.00 0.00 O ATOM 1559 CB CYS A 103 -2.037 -7.967 4.952 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.982 -7.631 6.457 1.00 0.00 S ATOM 0 H CYS A 103 -0.872 -9.033 2.870 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.169 -9.780 5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.139 -7.349 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.630 -7.665 4.089 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.212 -7.351 6.144 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.040 -11.337 5.299 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.177 -12.234 5.134 1.00 0.00 C ATOM 1568 C GLU A 104 -5.426 -11.656 5.793 1.00 0.00 C ATOM 1569 O GLU A 104 -5.442 -11.388 6.994 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.862 -13.607 5.732 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.738 -14.723 5.188 1.00 0.00 C ATOM 1572 CD GLU A 104 -4.951 -15.839 6.192 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.026 -16.659 6.372 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.042 -15.894 6.797 1.00 0.00 O ATOM 0 H GLU A 104 -2.412 -11.587 6.063 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.368 -12.345 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.817 -13.848 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.980 -13.558 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.705 -14.312 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.281 -15.132 4.287 1.00 0.00 H new ATOM 1581 N THR A 105 -6.473 -11.465 4.996 1.00 0.00 N ATOM 1582 CA THR A 105 -7.727 -10.917 5.499 1.00 0.00 C ATOM 1583 C THR A 105 -8.326 -11.815 6.576 1.00 0.00 C ATOM 1584 O THR A 105 -7.779 -12.871 6.894 1.00 0.00 O ATOM 1585 CB THR A 105 -8.755 -10.737 4.366 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.739 -11.879 3.503 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.458 -9.481 3.561 1.00 0.00 C ATOM 0 H THR A 105 -6.477 -11.682 3.999 1.00 0.00 H new ATOM 0 HA THR A 105 -7.497 -9.942 5.929 1.00 0.00 H new ATOM 0 HB THR A 105 -9.743 -10.636 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.548 -11.883 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.197 -9.375 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.501 -8.611 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.463 -9.556 3.123 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.454 -11.388 7.134 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.130 -12.154 8.175 1.00 0.00 C ATOM 1597 C LYS A 106 -11.162 -13.101 7.570 1.00 0.00 C ATOM 1598 O LYS A 106 -11.667 -12.865 6.473 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.809 -11.211 9.171 1.00 0.00 C ATOM 1600 CG LYS A 106 -9.832 -10.424 10.027 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.418 -10.106 11.392 1.00 0.00 C ATOM 1602 CE LYS A 106 -9.738 -8.900 12.023 1.00 0.00 C ATOM 1603 NZ LYS A 106 -10.421 -7.627 11.662 1.00 0.00 N ATOM 0 H LYS A 106 -9.919 -10.516 6.883 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.381 -12.748 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.443 -10.513 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.462 -11.792 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.912 -10.995 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.567 -9.497 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.486 -9.913 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.309 -10.971 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.730 -9.013 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.698 -8.859 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.713 -6.925 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.086 -7.799 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.942 -7.266 12.487 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.471 -14.172 8.294 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.445 -15.152 7.830 1.00 0.00 C ATOM 1619 C ALA A 107 -13.868 -14.623 7.976 1.00 0.00 C ATOM 1620 O ALA A 107 -14.279 -14.212 9.062 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.284 -16.458 8.594 1.00 0.00 C ATOM 0 H ALA A 107 -11.061 -14.383 9.204 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.261 -15.338 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.018 -17.181 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.280 -16.851 8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.439 -16.279 9.658 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.614 -14.635 6.877 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.991 -14.155 6.883 1.00 0.00 C ATOM 1629 C ARG A 108 -16.915 -15.161 7.562 1.00 0.00 C ATOM 1630 O ARG A 108 -16.691 -16.370 7.494 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.468 -13.893 5.453 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.287 -15.081 4.523 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.101 -14.919 3.248 1.00 0.00 C ATOM 1634 NE ARG A 108 -18.445 -15.475 3.383 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.691 -16.766 3.573 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -17.689 -17.631 3.651 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -19.942 -17.195 3.685 1.00 0.00 N ATOM 0 H ARG A 108 -14.289 -14.972 5.971 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.022 -13.222 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.522 -13.617 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.924 -13.039 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.232 -15.190 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.589 -15.995 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.170 -13.861 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.586 -15.412 2.424 1.00 0.00 H new ATOM 0 HE ARG A 108 -19.238 -14.836 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.726 -17.305 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.881 -18.622 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -20.716 -16.533 3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -20.130 -18.187 3.831 1.00 0.00 H new ATOM 1651 N SER A 109 -17.954 -14.654 8.218 1.00 0.00 N ATOM 1652 CA SER A 109 -18.910 -15.508 8.914 1.00 0.00 C ATOM 1653 C SER A 109 -20.148 -15.749 8.056 1.00 0.00 C ATOM 1654 O SER A 109 -20.927 -14.832 7.798 1.00 0.00 O ATOM 1655 CB SER A 109 -19.314 -14.876 10.247 1.00 0.00 C ATOM 1656 OG SER A 109 -18.258 -14.950 11.188 1.00 0.00 O ATOM 0 H SER A 109 -18.155 -13.656 8.282 1.00 0.00 H new ATOM 0 HA SER A 109 -18.430 -16.468 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.592 -13.834 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.193 -15.384 10.642 1.00 0.00 H new ATOM 0 HG SER A 109 -18.541 -14.538 12.031 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.323 -16.992 7.616 1.00 0.00 N ATOM 1663 CA GLY A 110 -21.467 -17.332 6.791 1.00 0.00 C ATOM 1664 C GLY A 110 -22.273 -18.482 7.364 1.00 0.00 C ATOM 1665 O GLY A 110 -22.001 -18.973 8.459 1.00 0.00 O ATOM 0 H GLY A 110 -19.693 -17.769 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.110 -16.458 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.124 -17.595 5.790 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.292 -18.927 6.613 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.161 -20.030 7.033 1.00 0.00 C ATOM 1671 C PRO A 111 -23.439 -21.373 7.024 1.00 0.00 C ATOM 1672 O PRO A 111 -23.524 -22.141 7.983 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.280 -20.017 5.989 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.666 -19.394 4.783 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.673 -18.388 5.297 1.00 0.00 C ATOM 0 HA PRO A 111 -24.513 -19.904 8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -25.635 -21.025 5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -26.139 -19.444 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.176 -20.144 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.423 -18.914 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -22.812 -18.299 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -24.114 -17.395 5.382 1.00 0.00 H new ATOM 1683 N SER A 112 -22.728 -21.650 5.936 1.00 0.00 N ATOM 1684 CA SER A 112 -21.994 -22.903 5.801 1.00 0.00 C ATOM 1685 C SER A 112 -21.249 -23.237 7.090 1.00 0.00 C ATOM 1686 O SER A 112 -21.514 -24.258 7.725 1.00 0.00 O ATOM 1687 CB SER A 112 -21.006 -22.816 4.636 1.00 0.00 C ATOM 1688 OG SER A 112 -21.682 -22.589 3.411 1.00 0.00 O ATOM 0 H SER A 112 -22.644 -21.024 5.135 1.00 0.00 H new ATOM 0 HA SER A 112 -22.713 -23.697 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.295 -22.010 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.431 -23.740 4.572 1.00 0.00 H new ATOM 0 HG SER A 112 -21.029 -22.536 2.682 1.00 0.00 H new ATOM 1694 N SER A 113 -20.317 -22.370 7.469 1.00 0.00 N ATOM 1695 CA SER A 113 -19.530 -22.574 8.680 1.00 0.00 C ATOM 1696 C SER A 113 -18.828 -21.284 9.095 1.00 0.00 C ATOM 1697 O SER A 113 -18.433 -20.480 8.252 1.00 0.00 O ATOM 1698 CB SER A 113 -18.498 -23.682 8.462 1.00 0.00 C ATOM 1699 OG SER A 113 -17.759 -23.465 7.273 1.00 0.00 O ATOM 0 H SER A 113 -20.088 -21.519 6.955 1.00 0.00 H new ATOM 0 HA SER A 113 -20.209 -22.872 9.479 1.00 0.00 H new ATOM 0 HB2 SER A 113 -17.819 -23.723 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.002 -24.647 8.409 1.00 0.00 H new ATOM 0 HG SER A 113 -17.105 -24.186 7.158 1.00 0.00 H new ATOM 1705 N GLY A 114 -18.675 -21.096 10.403 1.00 0.00 N ATOM 1706 CA GLY A 114 -18.021 -19.903 10.909 1.00 0.00 C ATOM 1707 C GLY A 114 -16.513 -20.045 10.955 1.00 0.00 C ATOM 1708 O GLY A 114 -15.830 -19.270 11.626 1.00 0.00 O ATOM 0 H GLY A 114 -18.992 -21.748 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.284 -19.053 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.393 -19.685 11.910 1.00 0.00 H new TER 1712 GLY A 114