USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= 0.543 K(o=1.2,f=-0.78) USER MOD Set 1.2: A 105 SER OG : rot 141:sc= 0.703 USER MOD Set 2.1: A 61 LYS NZ :NH3+ -144:sc= -0.42 (180deg=-2.01!) USER MOD Set 2.2: A 84 MET CE :methyl 160:sc= -0.212 (180deg=-0.278) USER MOD Set 3.1: A 34 ASN : amide:sc=-0.00415 X(o=-0.0042,f=-0.0042) USER MOD Set 3.2: A 35 ASN : amide:sc= 0 K(o=-0.0042,f=-1.5) USER MOD Set 4.1: A 1 MET CE :methyl -162:sc= -0.0431 (180deg=-0.582) USER MOD Set 4.2: A 103 TYR OH : rot 136:sc= 1 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 83:sc= 1.92 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.167 K(o=-0.17,f=-6.8!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=0.0023) USER MOD Single : A 53 HIS : no HE2:sc= 0.661 K(o=0.66,f=-2.8!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= 1.27 (180deg=-0.335) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 1.09 K(o=1.1,f=-0.65) USER MOD Single : A 107 GLN : amide:sc= -0.0248 K(o=-0.025,f=-2.7!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.032) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 120 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.939 K(o=0.94,f=-4.3!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.217 -9.320 -3.797 1.00 0.00 N ATOM 2 CA MET A 1 -3.944 -7.882 -3.676 1.00 0.00 C ATOM 3 C MET A 1 -2.671 -7.639 -2.873 1.00 0.00 C ATOM 4 O MET A 1 -2.330 -8.425 -1.988 1.00 0.00 O ATOM 5 CB MET A 1 -5.182 -7.116 -3.173 1.00 0.00 C ATOM 6 CG MET A 1 -5.188 -6.606 -1.734 1.00 0.00 C ATOM 7 SD MET A 1 -6.823 -6.181 -1.072 1.00 0.00 S ATOM 8 CE MET A 1 -7.671 -5.499 -2.529 1.00 0.00 C ATOM 0 H1 MET A 1 -5.088 -9.463 -4.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.422 -9.785 -4.280 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.335 -9.732 -2.849 1.00 0.00 H new ATOM 0 HA MET A 1 -3.746 -7.468 -4.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.330 -6.258 -3.829 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.048 -7.767 -3.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.741 -7.367 -1.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.549 -5.725 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.536 -4.919 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.986 -4.854 -3.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.000 -6.314 -3.173 1.00 0.00 H new ATOM 18 N ILE A 2 -1.981 -6.540 -3.179 1.00 0.00 N ATOM 19 CA ILE A 2 -0.912 -5.936 -2.383 1.00 0.00 C ATOM 20 C ILE A 2 -1.474 -4.573 -1.964 1.00 0.00 C ATOM 21 O ILE A 2 -2.339 -4.044 -2.667 1.00 0.00 O ATOM 22 CB ILE A 2 0.392 -5.778 -3.203 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.689 -7.014 -4.082 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.624 -5.428 -2.353 1.00 0.00 C ATOM 25 CD1 ILE A 2 2.001 -6.902 -4.856 1.00 0.00 C ATOM 0 H ILE A 2 -2.163 -6.018 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.639 -6.554 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 2 0.200 -4.925 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.722 -7.901 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.130 -7.155 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.497 -5.334 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.453 -4.484 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.797 -6.217 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.149 -7.802 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.963 -6.033 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.828 -6.791 -4.155 1.00 0.00 H new ATOM 37 N ILE A 3 -1.023 -4.023 -0.842 1.00 0.00 N ATOM 38 CA ILE A 3 -1.622 -2.925 -0.099 1.00 0.00 C ATOM 39 C ILE A 3 -0.478 -1.984 0.243 1.00 0.00 C ATOM 40 O ILE A 3 0.371 -2.349 1.052 1.00 0.00 O ATOM 41 CB ILE A 3 -2.283 -3.461 1.188 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.441 -4.431 0.880 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.793 -2.287 2.036 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.435 -5.683 1.757 1.00 0.00 C ATOM 0 H ILE A 3 -0.168 -4.358 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.395 -2.417 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.528 -4.018 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.388 -3.908 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.386 -4.730 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.259 -2.670 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.957 -1.640 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.525 -1.717 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.277 -6.321 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.503 -6.228 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.521 -5.394 2.804 1.00 0.00 H new ATOM 56 N ALA A 4 -0.383 -0.846 -0.445 1.00 0.00 N ATOM 57 CA ALA A 4 0.709 0.090 -0.189 1.00 0.00 C ATOM 58 C ALA A 4 0.402 0.930 1.034 1.00 0.00 C ATOM 59 O ALA A 4 -0.753 1.318 1.208 1.00 0.00 O ATOM 60 CB ALA A 4 0.980 1.031 -1.369 1.00 0.00 C ATOM 0 H ALA A 4 -1.037 -0.554 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 4 1.600 -0.518 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.802 1.702 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.246 0.445 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.085 1.616 -1.581 1.00 0.00 H new ATOM 66 N ILE A 5 1.424 1.285 1.814 1.00 0.00 N ATOM 67 CA ILE A 5 1.298 2.164 2.966 1.00 0.00 C ATOM 68 C ILE A 5 2.601 2.971 3.030 1.00 0.00 C ATOM 69 O ILE A 5 3.670 2.386 3.221 1.00 0.00 O ATOM 70 CB ILE A 5 1.010 1.405 4.288 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.212 0.458 4.190 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.756 2.449 5.403 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.327 -0.524 5.351 1.00 0.00 C ATOM 0 H ILE A 5 2.378 0.961 1.656 1.00 0.00 H new ATOM 0 HA ILE A 5 0.434 2.818 2.849 1.00 0.00 H new ATOM 0 HB ILE A 5 1.876 0.781 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.121 1.058 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.151 -0.103 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.551 1.936 6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.638 3.079 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.100 3.068 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.207 -1.152 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.564 -1.150 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.421 0.028 6.286 1.00 0.00 H new ATOM 85 N PRO A 6 2.560 4.302 2.833 1.00 0.00 N ATOM 86 CA PRO A 6 3.727 5.138 3.051 1.00 0.00 C ATOM 87 C PRO A 6 3.982 5.223 4.552 1.00 0.00 C ATOM 88 O PRO A 6 3.067 5.558 5.304 1.00 0.00 O ATOM 89 CB PRO A 6 3.354 6.495 2.461 1.00 0.00 C ATOM 90 CG PRO A 6 1.839 6.578 2.596 1.00 0.00 C ATOM 91 CD PRO A 6 1.387 5.116 2.538 1.00 0.00 C ATOM 0 HA PRO A 6 4.637 4.756 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.844 7.307 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.662 6.571 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.546 7.050 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.397 7.166 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.593 4.927 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.986 4.874 1.554 1.00 0.00 H new ATOM 99 N VAL A 7 5.203 4.970 5.006 1.00 0.00 N ATOM 100 CA VAL A 7 5.537 4.988 6.428 1.00 0.00 C ATOM 101 C VAL A 7 6.664 5.981 6.663 1.00 0.00 C ATOM 102 O VAL A 7 7.460 6.247 5.761 1.00 0.00 O ATOM 103 CB VAL A 7 5.861 3.571 6.931 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.569 2.758 7.084 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.864 2.819 6.043 1.00 0.00 C ATOM 0 H VAL A 7 5.992 4.746 4.399 1.00 0.00 H new ATOM 0 HA VAL A 7 4.679 5.321 7.012 1.00 0.00 H new ATOM 0 HB VAL A 7 6.343 3.689 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.809 1.756 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.912 3.250 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.066 2.689 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.045 1.828 6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.457 2.722 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.802 3.373 6.004 1.00 0.00 H new ATOM 115 N SER A 8 6.698 6.584 7.851 1.00 0.00 N ATOM 116 CA SER A 8 7.731 7.536 8.221 1.00 0.00 C ATOM 117 C SER A 8 9.089 6.854 8.365 1.00 0.00 C ATOM 118 O SER A 8 10.106 7.524 8.187 1.00 0.00 O ATOM 119 CB SER A 8 7.349 8.220 9.540 1.00 0.00 C ATOM 120 OG SER A 8 6.324 9.177 9.309 1.00 0.00 O ATOM 0 H SER A 8 6.005 6.422 8.582 1.00 0.00 H new ATOM 0 HA SER A 8 7.811 8.280 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.008 7.476 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.222 8.707 9.974 1.00 0.00 H new ATOM 0 HG SER A 8 6.083 9.609 10.155 1.00 0.00 H new ATOM 126 N GLU A 9 9.109 5.562 8.693 1.00 0.00 N ATOM 127 CA GLU A 9 10.299 4.772 8.946 1.00 0.00 C ATOM 128 C GLU A 9 9.986 3.323 8.587 1.00 0.00 C ATOM 129 O GLU A 9 8.819 2.927 8.628 1.00 0.00 O ATOM 130 CB GLU A 9 10.673 4.881 10.434 1.00 0.00 C ATOM 131 CG GLU A 9 11.253 6.250 10.812 1.00 0.00 C ATOM 132 CD GLU A 9 12.575 6.576 10.101 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.222 5.673 9.525 1.00 0.00 O ATOM 134 OE2 GLU A 9 13.021 7.748 10.190 1.00 0.00 O ATOM 0 H GLU A 9 8.252 5.018 8.792 1.00 0.00 H new ATOM 0 HA GLU A 9 11.137 5.130 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.787 4.689 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.400 4.106 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.522 7.023 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.412 6.283 11.890 1.00 0.00 H new ATOM 141 N ASN A 10 11.016 2.535 8.274 1.00 0.00 N ATOM 142 CA ASN A 10 10.891 1.108 8.037 1.00 0.00 C ATOM 143 C ASN A 10 10.984 0.468 9.407 1.00 0.00 C ATOM 144 O ASN A 10 12.087 0.298 9.936 1.00 0.00 O ATOM 145 CB ASN A 10 11.990 0.581 7.101 1.00 0.00 C ATOM 146 CG ASN A 10 11.737 -0.861 6.676 1.00 0.00 C ATOM 147 OD1 ASN A 10 11.112 -1.654 7.379 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.228 -1.249 5.516 1.00 0.00 N ATOM 0 H ASN A 10 11.971 2.881 8.178 1.00 0.00 H new ATOM 0 HA ASN A 10 9.951 0.871 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.047 1.215 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.955 0.647 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.090 -2.209 5.199 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.746 -0.590 4.935 1.00 0.00 H new ATOM 155 N ARG A 11 9.831 0.198 10.013 1.00 0.00 N ATOM 156 CA ARG A 11 9.724 -0.471 11.300 1.00 0.00 C ATOM 157 C ARG A 11 8.799 -1.687 11.145 1.00 0.00 C ATOM 158 O ARG A 11 7.979 -1.951 12.011 1.00 0.00 O ATOM 159 CB ARG A 11 9.290 0.523 12.405 1.00 0.00 C ATOM 160 CG ARG A 11 10.160 1.792 12.424 1.00 0.00 C ATOM 161 CD ARG A 11 10.300 2.439 13.802 1.00 0.00 C ATOM 162 NE ARG A 11 11.246 3.578 13.773 1.00 0.00 N ATOM 163 CZ ARG A 11 11.757 4.198 14.846 1.00 0.00 C ATOM 164 NH1 ARG A 11 11.453 3.757 16.062 1.00 0.00 N ATOM 165 NH2 ARG A 11 12.559 5.254 14.724 1.00 0.00 N ATOM 0 H ARG A 11 8.927 0.445 9.611 1.00 0.00 H new ATOM 0 HA ARG A 11 10.695 -0.843 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.248 0.802 12.250 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.348 0.031 13.376 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.153 1.543 12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.733 2.521 11.735 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.324 2.784 14.144 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.645 1.696 14.521 1.00 0.00 H new ATOM 0 HE ARG A 11 11.534 3.921 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.835 2.953 16.173 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.837 4.223 16.884 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.798 5.609 13.798 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.935 5.708 15.557 1.00 0.00 H new ATOM 179 N GLY A 12 8.885 -2.430 10.034 1.00 0.00 N ATOM 180 CA GLY A 12 8.072 -3.622 9.788 1.00 0.00 C ATOM 181 C GLY A 12 6.590 -3.340 10.002 1.00 0.00 C ATOM 182 O GLY A 12 6.022 -2.399 9.444 1.00 0.00 O ATOM 0 H GLY A 12 9.530 -2.215 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.234 -3.970 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.391 -4.425 10.453 1.00 0.00 H new ATOM 186 N LYS A 13 5.947 -4.165 10.811 1.00 0.00 N ATOM 187 CA LYS A 13 4.572 -3.990 11.271 1.00 0.00 C ATOM 188 C LYS A 13 4.386 -2.660 12.013 1.00 0.00 C ATOM 189 O LYS A 13 3.430 -1.936 11.735 1.00 0.00 O ATOM 190 CB LYS A 13 4.218 -5.188 12.164 1.00 0.00 C ATOM 191 CG LYS A 13 5.222 -5.436 13.296 1.00 0.00 C ATOM 192 CD LYS A 13 5.160 -6.868 13.804 1.00 0.00 C ATOM 193 CE LYS A 13 6.498 -7.112 14.492 1.00 0.00 C ATOM 194 NZ LYS A 13 6.544 -8.447 15.107 1.00 0.00 N ATOM 0 H LYS A 13 6.382 -5.010 11.182 1.00 0.00 H new ATOM 0 HA LYS A 13 3.899 -3.952 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.230 -5.027 12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.154 -6.083 11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.230 -5.220 12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.019 -4.750 14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.331 -7.003 14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.006 -7.569 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.306 -7.015 13.767 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.662 -6.351 15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.466 -8.585 15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.787 -8.529 15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.412 -9.172 14.373 1.00 0.00 H new ATOM 208 N ASP A 14 5.307 -2.332 12.923 1.00 0.00 N ATOM 209 CA ASP A 14 5.375 -1.114 13.729 1.00 0.00 C ATOM 210 C ASP A 14 5.644 0.168 12.919 1.00 0.00 C ATOM 211 O ASP A 14 5.660 1.251 13.509 1.00 0.00 O ATOM 212 CB ASP A 14 6.378 -1.243 14.912 1.00 0.00 C ATOM 213 CG ASP A 14 7.528 -2.265 14.814 1.00 0.00 C ATOM 214 OD1 ASP A 14 7.257 -3.486 14.711 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.713 -1.869 14.935 1.00 0.00 O ATOM 0 H ASP A 14 6.083 -2.961 13.130 1.00 0.00 H new ATOM 0 HA ASP A 14 4.372 -1.006 14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.824 -0.261 15.073 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.802 -1.482 15.806 1.00 0.00 H new ATOM 220 N SER A 15 5.830 0.092 11.594 1.00 0.00 N ATOM 221 CA SER A 15 5.971 1.239 10.694 1.00 0.00 C ATOM 222 C SER A 15 4.800 2.220 10.866 1.00 0.00 C ATOM 223 O SER A 15 3.672 1.896 10.471 1.00 0.00 O ATOM 224 CB SER A 15 6.112 0.783 9.250 1.00 0.00 C ATOM 225 OG SER A 15 7.174 -0.116 9.052 1.00 0.00 O ATOM 0 H SER A 15 5.888 -0.801 11.105 1.00 0.00 H new ATOM 0 HA SER A 15 6.885 1.770 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.182 0.311 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.260 1.655 8.614 1.00 0.00 H new ATOM 0 HG SER A 15 6.884 -1.022 9.286 1.00 0.00 H new ATOM 231 N PRO A 16 5.012 3.412 11.452 1.00 0.00 N ATOM 232 CA PRO A 16 3.946 4.387 11.591 1.00 0.00 C ATOM 233 C PRO A 16 3.734 5.084 10.249 1.00 0.00 C ATOM 234 O PRO A 16 4.700 5.461 9.577 1.00 0.00 O ATOM 235 CB PRO A 16 4.415 5.349 12.676 1.00 0.00 C ATOM 236 CG PRO A 16 5.930 5.349 12.506 1.00 0.00 C ATOM 237 CD PRO A 16 6.260 3.945 11.994 1.00 0.00 C ATOM 0 HA PRO A 16 2.989 3.946 11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.994 6.345 12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.121 5.011 13.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.250 6.114 11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.435 5.556 13.450 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.035 3.981 11.228 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.637 3.314 12.799 1.00 0.00 H new ATOM 245 N ILE A 17 2.475 5.243 9.852 1.00 0.00 N ATOM 246 CA ILE A 17 2.091 5.864 8.591 1.00 0.00 C ATOM 247 C ILE A 17 2.697 7.279 8.455 1.00 0.00 C ATOM 248 O ILE A 17 2.671 8.070 9.406 1.00 0.00 O ATOM 249 CB ILE A 17 0.549 5.790 8.487 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.058 6.036 7.048 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.174 6.646 9.541 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.270 5.331 6.756 1.00 0.00 C ATOM 0 H ILE A 17 1.678 4.937 10.410 1.00 0.00 H new ATOM 0 HA ILE A 17 2.502 5.331 7.734 1.00 0.00 H new ATOM 0 HB ILE A 17 0.270 4.765 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.059 7.107 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.814 5.687 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.252 6.549 9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.104 6.306 10.539 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.113 7.691 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.573 5.536 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.149 4.256 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.035 5.698 7.440 1.00 0.00 H new ATOM 264 N SER A 18 3.262 7.585 7.281 1.00 0.00 N ATOM 265 CA SER A 18 3.629 8.932 6.858 1.00 0.00 C ATOM 266 C SER A 18 2.405 9.571 6.216 1.00 0.00 C ATOM 267 O SER A 18 1.435 8.888 5.873 1.00 0.00 O ATOM 268 CB SER A 18 4.752 8.900 5.813 1.00 0.00 C ATOM 269 OG SER A 18 5.469 10.124 5.709 1.00 0.00 O ATOM 0 H SER A 18 3.481 6.876 6.581 1.00 0.00 H new ATOM 0 HA SER A 18 3.975 9.493 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.449 8.101 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.325 8.655 4.840 1.00 0.00 H new ATOM 0 HG SER A 18 6.169 10.036 5.029 1.00 0.00 H new ATOM 275 N GLU A 19 2.467 10.874 5.948 1.00 0.00 N ATOM 276 CA GLU A 19 1.356 11.544 5.329 1.00 0.00 C ATOM 277 C GLU A 19 1.460 11.462 3.805 1.00 0.00 C ATOM 278 O GLU A 19 0.503 11.096 3.107 1.00 0.00 O ATOM 279 CB GLU A 19 1.259 12.987 5.840 1.00 0.00 C ATOM 280 CG GLU A 19 0.072 13.605 5.094 1.00 0.00 C ATOM 281 CD GLU A 19 -0.427 14.961 5.561 1.00 0.00 C ATOM 282 OE1 GLU A 19 -0.193 15.322 6.728 1.00 0.00 O ATOM 283 OE2 GLU A 19 -1.125 15.637 4.765 1.00 0.00 O ATOM 0 H GLU A 19 3.270 11.469 6.152 1.00 0.00 H new ATOM 0 HA GLU A 19 0.429 11.042 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.101 13.012 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.178 13.537 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.346 13.692 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.761 12.904 5.150 1.00 0.00 H new ATOM 290 N HIS A 20 2.595 11.919 3.281 1.00 0.00 N ATOM 291 CA HIS A 20 2.684 12.454 1.934 1.00 0.00 C ATOM 292 C HIS A 20 3.340 11.375 1.091 1.00 0.00 C ATOM 293 O HIS A 20 4.552 11.379 0.892 1.00 0.00 O ATOM 294 CB HIS A 20 3.468 13.788 1.923 1.00 0.00 C ATOM 295 CG HIS A 20 3.358 14.686 3.134 1.00 0.00 C ATOM 296 ND1 HIS A 20 4.235 14.681 4.209 1.00 0.00 N ATOM 297 CD2 HIS A 20 2.446 15.683 3.339 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.846 15.648 5.058 1.00 0.00 C ATOM 299 NE2 HIS A 20 2.752 16.254 4.560 1.00 0.00 N ATOM 0 H HIS A 20 3.481 11.926 3.786 1.00 0.00 H new ATOM 0 HA HIS A 20 1.703 12.697 1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.522 13.554 1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.143 14.359 1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.643 15.969 2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.333 15.898 5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.235 17.009 5.009 1.00 0.00 H new ATOM 308 N PHE A 21 2.521 10.452 0.591 1.00 0.00 N ATOM 309 CA PHE A 21 2.922 9.339 -0.263 1.00 0.00 C ATOM 310 C PHE A 21 4.026 9.718 -1.259 1.00 0.00 C ATOM 311 O PHE A 21 5.019 9.008 -1.368 1.00 0.00 O ATOM 312 CB PHE A 21 1.674 8.841 -0.999 1.00 0.00 C ATOM 313 CG PHE A 21 1.967 7.757 -2.011 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.342 8.114 -3.322 1.00 0.00 C ATOM 315 CD2 PHE A 21 1.919 6.403 -1.631 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.694 7.126 -4.253 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.278 5.415 -2.558 1.00 0.00 C ATOM 318 CZ PHE A 21 2.678 5.783 -3.852 1.00 0.00 C ATOM 0 H PHE A 21 1.518 10.461 0.778 1.00 0.00 H new ATOM 0 HA PHE A 21 3.347 8.553 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.958 8.463 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.200 9.682 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.358 9.154 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.608 6.128 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.972 7.395 -5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.247 4.373 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.979 5.017 -4.552 1.00 0.00 H new ATOM 328 N GLY A 22 3.883 10.851 -1.960 1.00 0.00 N ATOM 329 CA GLY A 22 4.824 11.276 -2.990 1.00 0.00 C ATOM 330 C GLY A 22 6.261 11.524 -2.506 1.00 0.00 C ATOM 331 O GLY A 22 7.158 11.633 -3.343 1.00 0.00 O ATOM 0 H GLY A 22 3.106 11.497 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.848 10.517 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.449 12.192 -3.446 1.00 0.00 H new ATOM 335 N ARG A 23 6.489 11.626 -1.194 1.00 0.00 N ATOM 336 CA ARG A 23 7.787 11.733 -0.530 1.00 0.00 C ATOM 337 C ARG A 23 7.738 10.936 0.778 1.00 0.00 C ATOM 338 O ARG A 23 8.059 11.463 1.847 1.00 0.00 O ATOM 339 CB ARG A 23 8.203 13.209 -0.329 1.00 0.00 C ATOM 340 CG ARG A 23 7.170 14.071 0.420 1.00 0.00 C ATOM 341 CD ARG A 23 6.441 15.056 -0.500 1.00 0.00 C ATOM 342 NE ARG A 23 7.277 16.212 -0.873 1.00 0.00 N ATOM 343 CZ ARG A 23 6.921 17.210 -1.691 1.00 0.00 C ATOM 344 NH1 ARG A 23 5.713 17.217 -2.253 1.00 0.00 N ATOM 345 NH2 ARG A 23 7.767 18.204 -1.940 1.00 0.00 N ATOM 0 H ARG A 23 5.719 11.637 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 23 8.564 11.302 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.145 13.236 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.390 13.656 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.439 13.420 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.672 14.625 1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.124 14.536 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.538 15.411 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 23 8.213 16.255 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.057 16.460 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.445 17.979 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.691 18.208 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.493 18.963 -2.564 1.00 0.00 H new ATOM 359 N ALA A 24 7.243 9.700 0.718 1.00 0.00 N ATOM 360 CA ALA A 24 7.377 8.746 1.810 1.00 0.00 C ATOM 361 C ALA A 24 8.795 8.157 1.729 1.00 0.00 C ATOM 362 O ALA A 24 9.218 7.833 0.619 1.00 0.00 O ATOM 363 CB ALA A 24 6.349 7.632 1.616 1.00 0.00 C ATOM 0 H ALA A 24 6.739 9.335 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 24 7.213 9.221 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.438 6.910 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.346 8.058 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.529 7.132 0.664 1.00 0.00 H new ATOM 369 N PRO A 25 9.522 7.977 2.842 1.00 0.00 N ATOM 370 CA PRO A 25 10.851 7.366 2.822 1.00 0.00 C ATOM 371 C PRO A 25 10.856 5.866 2.496 1.00 0.00 C ATOM 372 O PRO A 25 11.856 5.361 1.984 1.00 0.00 O ATOM 373 CB PRO A 25 11.467 7.664 4.188 1.00 0.00 C ATOM 374 CG PRO A 25 10.261 7.902 5.085 1.00 0.00 C ATOM 375 CD PRO A 25 9.209 8.498 4.158 1.00 0.00 C ATOM 0 HA PRO A 25 11.438 7.792 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.072 6.831 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.117 8.538 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.912 6.973 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.502 8.582 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.204 8.210 4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.246 9.587 4.169 1.00 0.00 H new ATOM 383 N TYR A 26 9.757 5.157 2.764 1.00 0.00 N ATOM 384 CA TYR A 26 9.624 3.724 2.529 1.00 0.00 C ATOM 385 C TYR A 26 8.170 3.448 2.137 1.00 0.00 C ATOM 386 O TYR A 26 7.277 4.234 2.481 1.00 0.00 O ATOM 387 CB TYR A 26 9.985 2.936 3.803 1.00 0.00 C ATOM 388 CG TYR A 26 11.299 3.300 4.473 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.330 4.339 5.422 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.483 2.604 4.166 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.541 4.718 6.024 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.693 2.956 4.791 1.00 0.00 C ATOM 393 CZ TYR A 26 13.728 4.030 5.705 1.00 0.00 C ATOM 394 OH TYR A 26 14.899 4.376 6.305 1.00 0.00 O ATOM 0 H TYR A 26 8.916 5.577 3.160 1.00 0.00 H new ATOM 0 HA TYR A 26 10.301 3.408 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.183 3.073 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 26 10.011 1.875 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.416 4.848 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.463 1.797 3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.562 5.535 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.595 2.404 4.571 1.00 0.00 H new ATOM 0 HH TYR A 26 15.619 3.801 5.972 1.00 0.00 H new ATOM 404 N PHE A 27 7.929 2.325 1.461 1.00 0.00 N ATOM 405 CA PHE A 27 6.619 1.858 1.039 1.00 0.00 C ATOM 406 C PHE A 27 6.430 0.438 1.577 1.00 0.00 C ATOM 407 O PHE A 27 7.036 -0.512 1.083 1.00 0.00 O ATOM 408 CB PHE A 27 6.482 1.950 -0.493 1.00 0.00 C ATOM 409 CG PHE A 27 6.265 3.334 -1.097 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.450 4.290 -0.461 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.764 3.619 -2.380 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.169 5.512 -1.093 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.452 4.823 -3.035 1.00 0.00 C ATOM 414 CZ PHE A 27 5.661 5.781 -2.381 1.00 0.00 C ATOM 0 H PHE A 27 8.678 1.691 1.183 1.00 0.00 H new ATOM 0 HA PHE A 27 5.827 2.487 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.382 1.526 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.648 1.316 -0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.040 4.083 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.400 2.898 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.569 6.252 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.818 5.010 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.432 6.719 -2.865 1.00 0.00 H new ATOM 424 N ALA A 28 5.627 0.311 2.639 1.00 0.00 N ATOM 425 CA ALA A 28 5.228 -0.948 3.253 1.00 0.00 C ATOM 426 C ALA A 28 4.103 -1.534 2.413 1.00 0.00 C ATOM 427 O ALA A 28 2.928 -1.352 2.721 1.00 0.00 O ATOM 428 CB ALA A 28 4.779 -0.702 4.698 1.00 0.00 C ATOM 0 H ALA A 28 5.223 1.121 3.110 1.00 0.00 H new ATOM 0 HA ALA A 28 6.061 -1.650 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.482 -1.647 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.602 -0.269 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.933 -0.014 4.704 1.00 0.00 H new ATOM 434 N PHE A 29 4.459 -2.154 1.287 1.00 0.00 N ATOM 435 CA PHE A 29 3.554 -2.944 0.471 1.00 0.00 C ATOM 436 C PHE A 29 3.316 -4.273 1.193 1.00 0.00 C ATOM 437 O PHE A 29 4.134 -5.186 1.110 1.00 0.00 O ATOM 438 CB PHE A 29 4.121 -3.104 -0.953 1.00 0.00 C ATOM 439 CG PHE A 29 3.507 -2.232 -2.049 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.108 -2.091 -2.177 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.340 -1.612 -3.001 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.541 -1.293 -3.185 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.766 -0.892 -4.072 1.00 0.00 C ATOM 444 CZ PHE A 29 2.372 -0.697 -4.144 1.00 0.00 C ATOM 0 H PHE A 29 5.408 -2.116 0.914 1.00 0.00 H new ATOM 0 HA PHE A 29 2.590 -2.451 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.191 -2.898 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.007 -4.147 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.460 -2.608 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.414 -1.687 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.473 -1.140 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.402 -0.486 -4.844 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.947 -0.093 -4.932 1.00 0.00 H new ATOM 454 N VAL A 30 2.215 -4.377 1.931 1.00 0.00 N ATOM 455 CA VAL A 30 1.753 -5.631 2.527 1.00 0.00 C ATOM 456 C VAL A 30 0.968 -6.421 1.481 1.00 0.00 C ATOM 457 O VAL A 30 0.547 -5.859 0.473 1.00 0.00 O ATOM 458 CB VAL A 30 0.885 -5.321 3.766 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.714 -6.572 4.638 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.484 -4.201 4.630 1.00 0.00 C ATOM 0 H VAL A 30 1.609 -3.583 2.136 1.00 0.00 H new ATOM 0 HA VAL A 30 2.601 -6.234 2.850 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.083 -4.991 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.099 -6.330 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.229 -7.357 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.692 -6.919 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.838 -4.019 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.474 -4.499 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.566 -3.289 4.038 1.00 0.00 H new ATOM 470 N LYS A 31 0.730 -7.713 1.694 1.00 0.00 N ATOM 471 CA LYS A 31 -0.088 -8.528 0.798 1.00 0.00 C ATOM 472 C LYS A 31 -1.341 -8.966 1.536 1.00 0.00 C ATOM 473 O LYS A 31 -1.640 -8.495 2.635 1.00 0.00 O ATOM 474 CB LYS A 31 0.770 -9.668 0.206 1.00 0.00 C ATOM 475 CG LYS A 31 2.008 -9.074 -0.490 1.00 0.00 C ATOM 476 CD LYS A 31 2.825 -10.019 -1.377 1.00 0.00 C ATOM 477 CE LYS A 31 2.095 -10.627 -2.579 1.00 0.00 C ATOM 478 NZ LYS A 31 3.029 -11.415 -3.410 1.00 0.00 N ATOM 0 H LYS A 31 1.100 -8.226 2.495 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.438 -7.962 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.078 -10.353 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.182 -10.247 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.682 -8.232 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.669 -8.673 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.695 -9.475 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.198 -10.834 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.281 -11.264 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.647 -9.834 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.517 -11.819 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.791 -10.798 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.437 -12.183 -2.840 1.00 0.00 H new ATOM 492 N VAL A 32 -2.100 -9.850 0.906 1.00 0.00 N ATOM 493 CA VAL A 32 -3.093 -10.662 1.577 1.00 0.00 C ATOM 494 C VAL A 32 -3.179 -11.964 0.779 1.00 0.00 C ATOM 495 O VAL A 32 -2.996 -11.964 -0.444 1.00 0.00 O ATOM 496 CB VAL A 32 -4.420 -9.865 1.665 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.029 -9.625 0.276 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.478 -10.504 2.572 1.00 0.00 C ATOM 0 H VAL A 32 -2.040 -10.023 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.842 -10.910 2.608 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.137 -8.915 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.958 -9.064 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.327 -9.058 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.235 -10.583 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.375 -9.884 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.726 -11.497 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.087 -10.586 3.586 1.00 0.00 H new ATOM 508 N LYS A 33 -3.461 -13.071 1.452 1.00 0.00 N ATOM 509 CA LYS A 33 -3.737 -14.407 0.942 1.00 0.00 C ATOM 510 C LYS A 33 -5.096 -14.693 1.543 1.00 0.00 C ATOM 511 O LYS A 33 -5.199 -14.752 2.767 1.00 0.00 O ATOM 512 CB LYS A 33 -2.649 -15.381 1.439 1.00 0.00 C ATOM 513 CG LYS A 33 -2.907 -16.890 1.320 1.00 0.00 C ATOM 514 CD LYS A 33 -2.478 -17.504 -0.017 1.00 0.00 C ATOM 515 CE LYS A 33 -3.526 -17.266 -1.102 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.373 -18.214 -2.221 1.00 0.00 N ATOM 0 H LYS A 33 -3.507 -13.054 2.471 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.734 -14.505 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.731 -15.158 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.460 -15.159 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.380 -17.401 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.971 -17.077 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.526 -17.073 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.318 -18.575 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.523 -17.366 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.440 -16.245 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.101 -18.024 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.430 -18.101 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.480 -19.187 -1.869 1.00 0.00 H new ATOM 530 N ASN A 34 -6.131 -14.807 0.710 1.00 0.00 N ATOM 531 CA ASN A 34 -7.527 -14.893 1.126 1.00 0.00 C ATOM 532 C ASN A 34 -7.922 -13.716 2.027 1.00 0.00 C ATOM 533 O ASN A 34 -8.392 -12.710 1.500 1.00 0.00 O ATOM 534 CB ASN A 34 -7.794 -16.288 1.696 1.00 0.00 C ATOM 535 CG ASN A 34 -9.205 -16.439 2.230 1.00 0.00 C ATOM 536 OD1 ASN A 34 -10.156 -16.534 1.461 1.00 0.00 O ATOM 537 ND2 ASN A 34 -9.357 -16.582 3.529 1.00 0.00 N ATOM 0 H ASN A 34 -6.015 -14.843 -0.303 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.193 -14.785 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.622 -17.033 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.083 -16.492 2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.280 -16.776 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.551 -16.499 4.149 1.00 0.00 H new ATOM 544 N ASN A 35 -7.714 -13.803 3.343 1.00 0.00 N ATOM 545 CA ASN A 35 -8.129 -12.813 4.339 1.00 0.00 C ATOM 546 C ASN A 35 -7.043 -12.570 5.390 1.00 0.00 C ATOM 547 O ASN A 35 -7.317 -11.972 6.437 1.00 0.00 O ATOM 548 CB ASN A 35 -9.418 -13.266 5.012 1.00 0.00 C ATOM 549 CG ASN A 35 -10.646 -12.952 4.171 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.954 -13.673 3.227 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.385 -11.899 4.468 1.00 0.00 N ATOM 0 H ASN A 35 -7.232 -14.599 3.761 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.299 -11.870 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.371 -14.339 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.510 -12.778 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.213 -11.684 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.128 -11.301 5.253 1.00 0.00 H new ATOM 558 N ALA A 36 -5.820 -13.051 5.160 1.00 0.00 N ATOM 559 CA ALA A 36 -4.711 -12.872 6.081 1.00 0.00 C ATOM 560 C ALA A 36 -3.530 -12.229 5.352 1.00 0.00 C ATOM 561 O ALA A 36 -3.432 -12.397 4.141 1.00 0.00 O ATOM 562 CB ALA A 36 -4.325 -14.234 6.664 1.00 0.00 C ATOM 0 H ALA A 36 -5.576 -13.578 4.322 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.002 -12.210 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.493 -14.110 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.178 -14.658 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.029 -14.904 5.857 1.00 0.00 H new ATOM 568 N ILE A 37 -2.616 -11.550 6.058 1.00 0.00 N ATOM 569 CA ILE A 37 -1.547 -10.694 5.504 1.00 0.00 C ATOM 570 C ILE A 37 -0.718 -11.398 4.420 1.00 0.00 C ATOM 571 O ILE A 37 -0.259 -10.766 3.477 1.00 0.00 O ATOM 572 CB ILE A 37 -0.652 -10.157 6.665 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.170 -8.825 7.249 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.822 -9.911 6.274 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.506 -8.910 7.992 1.00 0.00 C ATOM 0 H ILE A 37 -2.597 -11.581 7.077 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.021 -9.850 5.002 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.706 -10.961 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.418 -8.430 7.932 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.271 -8.106 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.371 -9.539 7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.269 -10.845 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.868 -9.175 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.780 -7.922 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.278 -9.270 7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.412 -9.599 8.831 1.00 0.00 H new ATOM 587 N ALA A 38 -0.535 -12.709 4.521 1.00 0.00 N ATOM 588 CA ALA A 38 0.399 -13.535 3.757 1.00 0.00 C ATOM 589 C ALA A 38 1.874 -13.153 3.888 1.00 0.00 C ATOM 590 O ALA A 38 2.698 -14.052 4.024 1.00 0.00 O ATOM 591 CB ALA A 38 0.039 -13.527 2.270 1.00 0.00 C ATOM 0 H ALA A 38 -1.073 -13.265 5.186 1.00 0.00 H new ATOM 0 HA ALA A 38 0.290 -14.526 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.747 -14.148 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.968 -13.921 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.082 -12.506 1.891 1.00 0.00 H new ATOM 597 N ASP A 39 2.225 -11.884 3.674 1.00 0.00 N ATOM 598 CA ASP A 39 3.579 -11.457 3.359 1.00 0.00 C ATOM 599 C ASP A 39 3.715 -9.938 3.496 1.00 0.00 C ATOM 600 O ASP A 39 2.710 -9.220 3.445 1.00 0.00 O ATOM 601 CB ASP A 39 3.844 -11.817 1.892 1.00 0.00 C ATOM 602 CG ASP A 39 5.311 -12.021 1.552 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.109 -12.312 2.472 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.618 -12.021 0.335 1.00 0.00 O ATOM 0 H ASP A 39 1.559 -11.113 3.717 1.00 0.00 H new ATOM 0 HA ASP A 39 4.279 -11.942 4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.297 -12.728 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.443 -11.026 1.258 1.00 0.00 H new ATOM 609 N ILE A 40 4.949 -9.445 3.602 1.00 0.00 N ATOM 610 CA ILE A 40 5.304 -8.040 3.812 1.00 0.00 C ATOM 611 C ILE A 40 6.465 -7.704 2.860 1.00 0.00 C ATOM 612 O ILE A 40 7.388 -8.504 2.706 1.00 0.00 O ATOM 613 CB ILE A 40 5.707 -7.837 5.301 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.542 -8.049 6.307 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.390 -6.481 5.554 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.732 -6.798 6.679 1.00 0.00 C ATOM 0 H ILE A 40 5.771 -10.046 3.541 1.00 0.00 H new ATOM 0 HA ILE A 40 4.466 -7.376 3.600 1.00 0.00 H new ATOM 0 HB ILE A 40 6.434 -8.627 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.859 -8.788 5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.953 -8.476 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.649 -6.395 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.296 -6.412 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.710 -5.674 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.948 -7.069 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.392 -6.059 7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.281 -6.376 5.781 1.00 0.00 H new ATOM 628 N SER A 41 6.447 -6.508 2.266 1.00 0.00 N ATOM 629 CA SER A 41 7.552 -5.861 1.584 1.00 0.00 C ATOM 630 C SER A 41 7.592 -4.399 2.044 1.00 0.00 C ATOM 631 O SER A 41 6.957 -3.551 1.412 1.00 0.00 O ATOM 632 CB SER A 41 7.310 -5.939 0.068 1.00 0.00 C ATOM 633 OG SER A 41 7.716 -7.153 -0.537 1.00 0.00 O ATOM 0 H SER A 41 5.603 -5.936 2.252 1.00 0.00 H new ATOM 0 HA SER A 41 8.501 -6.346 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.247 -5.791 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.838 -5.116 -0.413 1.00 0.00 H new ATOM 0 HG SER A 41 7.525 -7.119 -1.498 1.00 0.00 H new ATOM 639 N VAL A 42 8.300 -4.079 3.134 1.00 0.00 N ATOM 640 CA VAL A 42 8.651 -2.688 3.428 1.00 0.00 C ATOM 641 C VAL A 42 9.989 -2.424 2.755 1.00 0.00 C ATOM 642 O VAL A 42 11.050 -2.737 3.297 1.00 0.00 O ATOM 643 CB VAL A 42 8.645 -2.349 4.930 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.649 -0.824 5.130 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.467 -2.970 5.686 1.00 0.00 C ATOM 0 H VAL A 42 8.637 -4.756 3.818 1.00 0.00 H new ATOM 0 HA VAL A 42 7.887 -2.020 3.029 1.00 0.00 H new ATOM 0 HB VAL A 42 9.553 -2.784 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.645 -0.597 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.542 -0.399 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.763 -0.394 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.523 -2.692 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.531 -2.605 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.508 -4.055 5.595 1.00 0.00 H new ATOM 655 N GLU A 43 9.910 -1.904 1.536 1.00 0.00 N ATOM 656 CA GLU A 43 11.061 -1.553 0.727 1.00 0.00 C ATOM 657 C GLU A 43 11.297 -0.049 0.864 1.00 0.00 C ATOM 658 O GLU A 43 10.368 0.737 1.099 1.00 0.00 O ATOM 659 CB GLU A 43 10.786 -1.955 -0.736 1.00 0.00 C ATOM 660 CG GLU A 43 10.460 -3.454 -0.931 1.00 0.00 C ATOM 661 CD GLU A 43 11.398 -4.159 -1.917 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.352 -3.848 -3.128 1.00 0.00 O ATOM 663 OE2 GLU A 43 12.136 -5.093 -1.529 1.00 0.00 O ATOM 0 H GLU A 43 9.020 -1.712 1.076 1.00 0.00 H new ATOM 0 HA GLU A 43 11.956 -2.080 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.953 -1.362 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.657 -1.703 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.514 -3.958 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.434 -3.552 -1.285 1.00 0.00 H new ATOM 670 N GLU A 44 12.549 0.362 0.692 1.00 0.00 N ATOM 671 CA GLU A 44 12.941 1.744 0.536 1.00 0.00 C ATOM 672 C GLU A 44 12.209 2.375 -0.642 1.00 0.00 C ATOM 673 O GLU A 44 11.888 1.711 -1.632 1.00 0.00 O ATOM 674 CB GLU A 44 14.457 1.801 0.306 1.00 0.00 C ATOM 675 CG GLU A 44 15.259 1.408 1.551 1.00 0.00 C ATOM 676 CD GLU A 44 15.555 -0.074 1.797 1.00 0.00 C ATOM 677 OE1 GLU A 44 14.950 -0.976 1.174 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.327 -0.334 2.750 1.00 0.00 O ATOM 0 H GLU A 44 13.338 -0.284 0.657 1.00 0.00 H new ATOM 0 HA GLU A 44 12.680 2.302 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.721 1.136 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.737 2.810 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.213 1.933 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.725 1.787 2.422 1.00 0.00 H new ATOM 685 N ASN A 45 12.028 3.692 -0.571 1.00 0.00 N ATOM 686 CA ASN A 45 11.653 4.459 -1.742 1.00 0.00 C ATOM 687 C ASN A 45 12.926 4.693 -2.561 1.00 0.00 C ATOM 688 O ASN A 45 13.929 5.110 -1.981 1.00 0.00 O ATOM 689 CB ASN A 45 11.063 5.800 -1.296 1.00 0.00 C ATOM 690 CG ASN A 45 10.085 6.320 -2.321 1.00 0.00 C ATOM 691 OD1 ASN A 45 10.437 6.595 -3.462 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.831 6.437 -1.936 1.00 0.00 N ATOM 0 H ASN A 45 12.136 4.241 0.282 1.00 0.00 H new ATOM 0 HA ASN A 45 10.909 3.932 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.562 5.681 -0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.864 6.525 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.124 6.764 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.567 6.201 -0.980 1.00 0.00 H new ATOM 699 N PRO A 46 12.943 4.496 -3.887 1.00 0.00 N ATOM 700 CA PRO A 46 14.090 4.893 -4.702 1.00 0.00 C ATOM 701 C PRO A 46 14.208 6.425 -4.832 1.00 0.00 C ATOM 702 O PRO A 46 15.175 6.930 -5.405 1.00 0.00 O ATOM 703 CB PRO A 46 13.853 4.212 -6.056 1.00 0.00 C ATOM 704 CG PRO A 46 12.333 4.085 -6.148 1.00 0.00 C ATOM 705 CD PRO A 46 11.907 3.875 -4.696 1.00 0.00 C ATOM 0 HA PRO A 46 15.035 4.588 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.254 4.807 -6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.338 3.237 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.880 4.980 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.037 3.247 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.935 4.330 -4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.814 2.814 -4.465 1.00 0.00 H new ATOM 713 N LEU A 47 13.198 7.183 -4.391 1.00 0.00 N ATOM 714 CA LEU A 47 12.989 8.586 -4.738 1.00 0.00 C ATOM 715 C LEU A 47 12.332 9.330 -3.560 1.00 0.00 C ATOM 716 O LEU A 47 11.433 10.158 -3.768 1.00 0.00 O ATOM 717 CB LEU A 47 12.066 8.626 -5.946 1.00 0.00 C ATOM 718 CG LEU A 47 12.775 8.284 -7.261 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.722 7.809 -8.223 1.00 0.00 C ATOM 720 CD2 LEU A 47 13.460 9.519 -7.846 1.00 0.00 C ATOM 0 H LEU A 47 12.482 6.821 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 47 13.941 9.069 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.245 7.926 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.626 9.620 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 47 13.536 7.523 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.187 7.554 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.227 6.928 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.988 8.599 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.957 9.252 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.715 10.291 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.198 9.896 -7.137 1.00 0.00 H new ATOM 732 N ALA A 48 12.720 9.058 -2.314 1.00 0.00 N ATOM 733 CA ALA A 48 11.993 9.544 -1.141 1.00 0.00 C ATOM 734 C ALA A 48 11.945 11.065 -1.078 1.00 0.00 C ATOM 735 O ALA A 48 10.940 11.643 -0.670 1.00 0.00 O ATOM 736 CB ALA A 48 12.704 9.075 0.126 1.00 0.00 C ATOM 0 H ALA A 48 13.542 8.498 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 48 10.979 9.153 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.164 9.436 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.736 7.986 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.721 9.468 0.139 1.00 0.00 H new ATOM 742 N GLN A 49 13.045 11.704 -1.458 1.00 0.00 N ATOM 743 CA GLN A 49 13.287 13.137 -1.320 1.00 0.00 C ATOM 744 C GLN A 49 14.541 13.434 -2.149 1.00 0.00 C ATOM 745 O GLN A 49 15.608 13.739 -1.613 1.00 0.00 O ATOM 746 CB GLN A 49 13.409 13.510 0.184 1.00 0.00 C ATOM 747 CG GLN A 49 12.248 14.358 0.736 1.00 0.00 C ATOM 748 CD GLN A 49 12.398 15.827 0.345 1.00 0.00 C ATOM 749 OE1 GLN A 49 12.133 16.205 -0.792 1.00 0.00 O ATOM 750 NE2 GLN A 49 12.792 16.700 1.252 1.00 0.00 N ATOM 0 H GLN A 49 13.829 11.216 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 49 12.467 13.751 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.479 12.592 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.341 14.054 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.301 13.973 0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.215 14.270 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.013 16.388 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.876 17.687 1.008 1.00 0.00 H new ATOM 759 N ASP A 50 14.429 13.210 -3.463 1.00 0.00 N ATOM 760 CA ASP A 50 15.583 13.060 -4.349 1.00 0.00 C ATOM 761 C ASP A 50 15.267 13.682 -5.715 1.00 0.00 C ATOM 762 O ASP A 50 15.185 14.908 -5.798 1.00 0.00 O ATOM 763 CB ASP A 50 15.955 11.569 -4.397 1.00 0.00 C ATOM 764 CG ASP A 50 17.168 11.317 -5.282 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.299 11.632 -4.850 1.00 0.00 O ATOM 766 OD2 ASP A 50 16.941 10.822 -6.410 1.00 0.00 O ATOM 0 H ASP A 50 13.532 13.128 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 50 16.458 13.596 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.161 11.213 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.107 10.995 -4.770 1.00 0.00 H new ATOM 771 N HIS A 51 15.013 12.908 -6.780 1.00 0.00 N ATOM 772 CA HIS A 51 14.832 13.448 -8.134 1.00 0.00 C ATOM 773 C HIS A 51 13.588 14.337 -8.263 1.00 0.00 C ATOM 774 O HIS A 51 13.604 15.276 -9.051 1.00 0.00 O ATOM 775 CB HIS A 51 14.768 12.291 -9.149 1.00 0.00 C ATOM 776 CG HIS A 51 15.370 12.573 -10.504 1.00 0.00 C ATOM 777 ND1 HIS A 51 16.161 11.677 -11.200 1.00 0.00 N ATOM 778 CD2 HIS A 51 15.262 13.715 -11.251 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.524 12.267 -12.353 1.00 0.00 C ATOM 780 NE2 HIS A 51 16.003 13.510 -12.398 1.00 0.00 N ATOM 0 H HIS A 51 14.928 11.893 -6.727 1.00 0.00 H new ATOM 0 HA HIS A 51 15.692 14.084 -8.345 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.275 11.427 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.724 12.011 -9.287 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.705 14.604 -10.993 1.00 0.00 H new ATOM 0 HE1 HIS A 51 17.136 11.817 -13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.134 14.185 -13.152 1.00 0.00 H new ATOM 789 N VAL A 52 12.521 14.040 -7.520 1.00 0.00 N ATOM 790 CA VAL A 52 11.193 14.656 -7.610 1.00 0.00 C ATOM 791 C VAL A 52 10.690 14.677 -9.065 1.00 0.00 C ATOM 792 O VAL A 52 10.836 15.652 -9.807 1.00 0.00 O ATOM 793 CB VAL A 52 11.174 16.014 -6.877 1.00 0.00 C ATOM 794 CG1 VAL A 52 9.759 16.614 -6.829 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.665 15.853 -5.427 1.00 0.00 C ATOM 0 H VAL A 52 12.561 13.322 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 52 10.461 14.044 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 52 11.833 16.679 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.787 17.569 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.394 16.767 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.092 15.931 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.645 16.821 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.014 15.157 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.684 15.467 -5.429 1.00 0.00 H new ATOM 805 N HIS A 53 10.088 13.566 -9.493 1.00 0.00 N ATOM 806 CA HIS A 53 9.386 13.457 -10.767 1.00 0.00 C ATOM 807 C HIS A 53 8.272 12.426 -10.660 1.00 0.00 C ATOM 808 O HIS A 53 8.034 11.861 -9.586 1.00 0.00 O ATOM 809 CB HIS A 53 10.383 13.161 -11.911 1.00 0.00 C ATOM 810 CG HIS A 53 10.388 14.278 -12.921 1.00 0.00 C ATOM 811 ND1 HIS A 53 10.476 15.620 -12.607 1.00 0.00 N ATOM 812 CD2 HIS A 53 10.267 14.161 -14.280 1.00 0.00 C ATOM 813 CE1 HIS A 53 10.375 16.306 -13.757 1.00 0.00 C ATOM 814 NE2 HIS A 53 10.276 15.447 -14.788 1.00 0.00 N ATOM 0 H HIS A 53 10.076 12.702 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 53 8.914 14.409 -11.011 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.385 13.031 -11.501 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.114 12.224 -12.400 1.00 0.00 H new ATOM 0 HD1 HIS A 53 10.596 16.016 -11.675 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.181 13.244 -14.844 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.373 17.383 -13.841 1.00 0.00 H new ATOM 823 N GLY A 54 7.568 12.152 -11.757 1.00 0.00 N ATOM 824 CA GLY A 54 6.540 11.122 -11.842 1.00 0.00 C ATOM 825 C GLY A 54 7.080 9.692 -11.735 1.00 0.00 C ATOM 826 O GLY A 54 6.395 8.768 -12.165 1.00 0.00 O ATOM 0 H GLY A 54 7.702 12.655 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.811 11.284 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.010 11.229 -12.788 1.00 0.00 H new ATOM 830 N ALA A 55 8.268 9.475 -11.165 1.00 0.00 N ATOM 831 CA ALA A 55 8.931 8.181 -11.107 1.00 0.00 C ATOM 832 C ALA A 55 8.746 7.449 -9.770 1.00 0.00 C ATOM 833 O ALA A 55 8.862 6.225 -9.751 1.00 0.00 O ATOM 834 CB ALA A 55 10.406 8.400 -11.404 1.00 0.00 C ATOM 0 H ALA A 55 8.806 10.219 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 55 8.470 7.530 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.930 7.445 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.516 8.837 -12.397 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.830 9.075 -10.661 1.00 0.00 H new ATOM 840 N VAL A 56 8.397 8.152 -8.680 1.00 0.00 N ATOM 841 CA VAL A 56 7.960 7.522 -7.424 1.00 0.00 C ATOM 842 C VAL A 56 6.842 6.502 -7.721 1.00 0.00 C ATOM 843 O VAL A 56 6.965 5.353 -7.308 1.00 0.00 O ATOM 844 CB VAL A 56 7.514 8.592 -6.388 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.364 8.199 -5.445 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.687 9.058 -5.540 1.00 0.00 C ATOM 0 H VAL A 56 8.410 9.171 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 56 8.799 6.988 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 56 7.125 9.390 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.146 9.028 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.476 7.966 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.654 7.325 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.345 9.806 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.108 8.208 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.451 9.495 -6.184 1.00 0.00 H new ATOM 856 N PRO A 57 5.751 6.885 -8.415 1.00 0.00 N ATOM 857 CA PRO A 57 4.693 5.955 -8.759 1.00 0.00 C ATOM 858 C PRO A 57 5.123 4.982 -9.855 1.00 0.00 C ATOM 859 O PRO A 57 4.682 3.839 -9.830 1.00 0.00 O ATOM 860 CB PRO A 57 3.521 6.814 -9.201 1.00 0.00 C ATOM 861 CG PRO A 57 4.097 8.167 -9.596 1.00 0.00 C ATOM 862 CD PRO A 57 5.490 8.188 -9.002 1.00 0.00 C ATOM 0 HA PRO A 57 4.429 5.327 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.999 6.355 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.795 6.922 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.128 8.282 -10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.489 8.984 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.228 8.413 -9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.569 8.969 -8.246 1.00 0.00 H new ATOM 870 N ASN A 58 5.992 5.395 -10.788 1.00 0.00 N ATOM 871 CA ASN A 58 6.454 4.504 -11.850 1.00 0.00 C ATOM 872 C ASN A 58 7.101 3.243 -11.263 1.00 0.00 C ATOM 873 O ASN A 58 6.866 2.148 -11.767 1.00 0.00 O ATOM 874 CB ASN A 58 7.388 5.222 -12.827 1.00 0.00 C ATOM 875 CG ASN A 58 7.540 4.419 -14.114 1.00 0.00 C ATOM 876 OD1 ASN A 58 6.660 4.461 -14.972 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.624 3.686 -14.293 1.00 0.00 N ATOM 0 H ASN A 58 6.385 6.336 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 58 5.582 4.191 -12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.993 6.212 -13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.365 5.367 -12.365 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.739 3.146 -15.151 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.347 3.660 -13.573 1.00 0.00 H new ATOM 884 N PHE A 59 7.851 3.395 -10.163 1.00 0.00 N ATOM 885 CA PHE A 59 8.369 2.301 -9.347 1.00 0.00 C ATOM 886 C PHE A 59 7.230 1.417 -8.828 1.00 0.00 C ATOM 887 O PHE A 59 7.141 0.262 -9.224 1.00 0.00 O ATOM 888 CB PHE A 59 9.255 2.864 -8.221 1.00 0.00 C ATOM 889 CG PHE A 59 9.487 1.934 -7.042 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.240 0.755 -7.201 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.965 2.256 -5.773 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.474 -0.090 -6.104 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.215 1.413 -4.674 1.00 0.00 C ATOM 894 CZ PHE A 59 9.964 0.241 -4.838 1.00 0.00 C ATOM 0 H PHE A 59 8.119 4.314 -9.810 1.00 0.00 H new ATOM 0 HA PHE A 59 8.996 1.655 -9.961 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.223 3.133 -8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.802 3.784 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.640 0.499 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.373 3.150 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.047 -0.996 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.827 1.671 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.149 -0.406 -3.993 1.00 0.00 H new ATOM 904 N VAL A 60 6.340 1.919 -7.966 1.00 0.00 N ATOM 905 CA VAL A 60 5.312 1.079 -7.333 1.00 0.00 C ATOM 906 C VAL A 60 4.331 0.428 -8.333 1.00 0.00 C ATOM 907 O VAL A 60 3.724 -0.601 -8.039 1.00 0.00 O ATOM 908 CB VAL A 60 4.573 1.854 -6.226 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.419 1.999 -4.947 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.136 3.243 -6.645 1.00 0.00 C ATOM 0 H VAL A 60 6.309 2.900 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 60 5.843 0.245 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 60 3.689 1.248 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.853 2.553 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.665 1.010 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.338 2.537 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.623 3.729 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.010 3.831 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.460 3.170 -7.497 1.00 0.00 H new ATOM 920 N LYS A 61 4.176 0.981 -9.534 1.00 0.00 N ATOM 921 CA LYS A 61 3.447 0.374 -10.650 1.00 0.00 C ATOM 922 C LYS A 61 4.156 -0.838 -11.272 1.00 0.00 C ATOM 923 O LYS A 61 3.526 -1.564 -12.038 1.00 0.00 O ATOM 924 CB LYS A 61 3.157 1.422 -11.734 1.00 0.00 C ATOM 925 CG LYS A 61 2.088 2.482 -11.390 1.00 0.00 C ATOM 926 CD LYS A 61 2.035 3.571 -12.467 1.00 0.00 C ATOM 927 CE LYS A 61 1.261 3.151 -13.728 1.00 0.00 C ATOM 928 NZ LYS A 61 1.996 2.225 -14.616 1.00 0.00 N ATOM 0 H LYS A 61 4.567 1.894 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 61 2.514 0.001 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.088 1.938 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.844 0.901 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.112 2.005 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.313 2.931 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.572 4.464 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.053 3.842 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.326 2.679 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.999 4.045 -14.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.773 2.444 -15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.019 2.332 -14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.715 1.246 -14.406 1.00 0.00 H new ATOM 942 N GLU A 62 5.423 -1.095 -10.961 1.00 0.00 N ATOM 943 CA GLU A 62 6.075 -2.369 -11.256 1.00 0.00 C ATOM 944 C GLU A 62 5.905 -3.327 -10.070 1.00 0.00 C ATOM 945 O GLU A 62 6.004 -4.538 -10.219 1.00 0.00 O ATOM 946 CB GLU A 62 7.545 -2.127 -11.653 1.00 0.00 C ATOM 947 CG GLU A 62 8.613 -2.373 -10.571 1.00 0.00 C ATOM 948 CD GLU A 62 9.232 -3.782 -10.566 1.00 0.00 C ATOM 949 OE1 GLU A 62 8.771 -4.696 -11.293 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.281 -3.953 -9.907 1.00 0.00 O ATOM 0 H GLU A 62 6.031 -0.422 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 62 5.602 -2.851 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.775 -2.765 -12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.638 -1.095 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.412 -1.643 -10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.167 -2.187 -9.594 1.00 0.00 H new ATOM 957 N LYS A 63 5.587 -2.828 -8.871 1.00 0.00 N ATOM 958 CA LYS A 63 5.515 -3.641 -7.658 1.00 0.00 C ATOM 959 C LYS A 63 4.153 -4.325 -7.530 1.00 0.00 C ATOM 960 O LYS A 63 3.661 -4.493 -6.417 1.00 0.00 O ATOM 961 CB LYS A 63 5.855 -2.761 -6.439 1.00 0.00 C ATOM 962 CG LYS A 63 7.228 -2.073 -6.521 1.00 0.00 C ATOM 963 CD LYS A 63 8.421 -3.035 -6.531 1.00 0.00 C ATOM 964 CE LYS A 63 8.694 -3.514 -5.097 1.00 0.00 C ATOM 965 NZ LYS A 63 9.583 -4.689 -5.008 1.00 0.00 N ATOM 0 H LYS A 63 5.372 -1.843 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 63 6.249 -4.445 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.085 -1.998 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.823 -3.377 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.261 -1.463 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.332 -1.395 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.212 -3.887 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.302 -2.537 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.137 -2.694 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.744 -3.755 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.320 -4.513 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.028 -5.524 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.028 -4.859 -5.933 1.00 0.00 H new ATOM 979 N GLY A 64 3.596 -4.785 -8.651 1.00 0.00 N ATOM 980 CA GLY A 64 2.520 -5.769 -8.768 1.00 0.00 C ATOM 981 C GLY A 64 1.222 -5.447 -8.019 1.00 0.00 C ATOM 982 O GLY A 64 0.463 -6.371 -7.715 1.00 0.00 O ATOM 0 H GLY A 64 3.907 -4.456 -9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.284 -5.894 -9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.893 -6.728 -8.410 1.00 0.00 H new ATOM 986 N ALA A 65 0.990 -4.189 -7.636 1.00 0.00 N ATOM 987 CA ALA A 65 0.055 -3.837 -6.576 1.00 0.00 C ATOM 988 C ALA A 65 -1.420 -3.839 -6.990 1.00 0.00 C ATOM 989 O ALA A 65 -1.745 -4.062 -8.155 1.00 0.00 O ATOM 990 CB ALA A 65 0.489 -2.499 -5.986 1.00 0.00 C ATOM 0 H ALA A 65 1.451 -3.384 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 65 0.100 -4.621 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.197 -2.213 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.497 -2.589 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.477 -1.737 -6.765 1.00 0.00 H new ATOM 996 N GLU A 66 -2.316 -3.584 -6.027 1.00 0.00 N ATOM 997 CA GLU A 66 -3.766 -3.563 -6.226 1.00 0.00 C ATOM 998 C GLU A 66 -4.414 -2.480 -5.361 1.00 0.00 C ATOM 999 O GLU A 66 -5.154 -1.665 -5.896 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.373 -4.922 -5.878 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.542 -5.832 -7.096 1.00 0.00 C ATOM 1002 CD GLU A 66 -5.031 -7.215 -6.657 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -6.130 -7.310 -6.074 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -4.216 -8.167 -6.682 1.00 0.00 O ATOM 0 H GLU A 66 -2.043 -3.382 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.958 -3.342 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.738 -5.420 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.344 -4.770 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.254 -5.391 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.593 -5.924 -7.625 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.168 -2.460 -4.046 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.696 -1.463 -3.118 1.00 0.00 C ATOM 1013 C LEU A 67 -3.554 -0.561 -2.637 1.00 0.00 C ATOM 1014 O LEU A 67 -2.378 -0.941 -2.626 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.453 -2.157 -1.947 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.078 -1.222 -0.887 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.232 -0.399 -1.451 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.645 -2.026 0.278 1.00 0.00 C ATOM 0 H LEU A 67 -3.580 -3.157 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.425 -0.829 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.246 -2.773 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.760 -2.831 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.273 -0.563 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.638 0.242 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.871 0.217 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.013 -1.068 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.080 -1.347 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.415 -2.705 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.846 -2.602 0.745 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.904 0.637 -2.192 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.055 1.619 -1.548 1.00 0.00 C ATOM 1032 C VAL A 68 -3.884 2.154 -0.372 1.00 0.00 C ATOM 1033 O VAL A 68 -5.092 2.336 -0.518 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.686 2.723 -2.570 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.451 3.499 -2.112 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.366 2.201 -3.983 1.00 0.00 C ATOM 0 H VAL A 68 -4.864 0.970 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.110 1.211 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.578 3.347 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.212 4.268 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.652 3.967 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.607 2.816 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.119 3.040 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.519 1.517 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.234 1.676 -4.382 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.272 2.377 0.790 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.900 2.903 1.993 1.00 0.00 C ATOM 1048 C ILE A 69 -3.001 4.031 2.497 1.00 0.00 C ATOM 1049 O ILE A 69 -1.858 3.803 2.892 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.148 1.803 3.047 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.137 0.728 2.537 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.694 2.476 4.315 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.307 -0.475 3.476 1.00 0.00 C ATOM 0 H ILE A 69 -2.279 2.186 0.921 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.895 3.292 1.777 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.210 1.290 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.111 1.192 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.796 0.370 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.878 1.720 5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.966 3.196 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.626 2.990 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.017 -1.179 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.345 -0.968 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.680 -0.133 4.441 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.486 5.267 2.413 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.663 6.472 2.497 1.00 0.00 C ATOM 1067 C VAL A 70 -3.341 7.528 3.368 1.00 0.00 C ATOM 1068 O VAL A 70 -4.566 7.575 3.478 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.412 6.990 1.064 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.328 6.166 0.360 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.691 6.986 0.212 1.00 0.00 C ATOM 0 H VAL A 70 -4.478 5.463 2.282 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.707 6.243 2.967 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.073 8.021 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.173 6.554 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.397 6.234 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.643 5.124 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.464 7.358 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.078 5.969 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.440 7.627 0.677 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.569 8.444 3.957 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.128 9.437 4.871 1.00 0.00 C ATOM 1083 C ARG A 71 -3.438 10.744 4.144 1.00 0.00 C ATOM 1084 O ARG A 71 -4.612 11.094 3.992 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.187 9.571 6.065 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.846 10.318 7.225 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.143 10.009 8.550 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.051 10.271 9.669 1.00 0.00 N ATOM 1089 CZ ARG A 71 -2.994 11.242 10.582 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.030 12.156 10.571 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -3.894 11.277 11.550 1.00 0.00 N ATOM 0 H ARG A 71 -1.561 8.517 3.817 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.095 9.117 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.879 8.580 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.284 10.099 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.815 11.391 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.897 10.036 7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.822 8.968 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.246 10.621 8.647 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.833 9.623 9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.308 12.127 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.012 12.887 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.624 10.566 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.859 12.015 12.253 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.429 11.411 3.584 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.611 12.707 2.937 1.00 0.00 C ATOM 1107 C GLY A 72 -2.775 12.626 1.418 1.00 0.00 C ATOM 1108 O GLY A 72 -3.755 13.146 0.880 1.00 0.00 O ATOM 0 H GLY A 72 -1.468 11.069 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.489 13.194 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.754 13.340 3.166 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.807 11.981 0.755 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.589 11.826 -0.693 1.00 0.00 C ATOM 1114 C ILE A 73 -1.774 13.121 -1.529 1.00 0.00 C ATOM 1115 O ILE A 73 -1.705 14.222 -0.986 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.314 10.544 -1.229 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.658 10.024 -2.526 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.834 10.669 -1.492 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.737 8.510 -2.688 1.00 0.00 C ATOM 0 H ILE A 73 -1.074 11.500 1.277 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.524 11.649 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.197 9.847 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.139 10.498 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.611 10.328 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.219 9.718 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.343 10.933 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.012 11.445 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.256 8.218 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.230 8.028 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.782 8.200 -2.706 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.832 13.030 -2.864 1.00 0.00 N ATOM 1132 CA GLY A 74 -1.992 14.141 -3.801 1.00 0.00 C ATOM 1133 C GLY A 74 -2.178 13.614 -5.229 1.00 0.00 C ATOM 1134 O GLY A 74 -1.961 12.423 -5.485 1.00 0.00 O ATOM 0 H GLY A 74 -1.765 12.131 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.853 14.745 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.118 14.791 -3.757 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.596 14.482 -6.158 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.148 14.065 -7.451 1.00 0.00 C ATOM 1140 C ARG A 75 -2.161 13.310 -8.349 1.00 0.00 C ATOM 1141 O ARG A 75 -2.609 12.459 -9.114 1.00 0.00 O ATOM 1142 CB ARG A 75 -3.795 15.265 -8.174 1.00 0.00 C ATOM 1143 CG ARG A 75 -4.425 14.947 -9.549 1.00 0.00 C ATOM 1144 CD ARG A 75 -5.565 13.910 -9.533 1.00 0.00 C ATOM 1145 NE ARG A 75 -6.879 14.527 -9.763 1.00 0.00 N ATOM 1146 CZ ARG A 75 -7.514 14.665 -10.934 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.062 14.114 -12.064 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -8.602 15.414 -10.949 1.00 0.00 N ATOM 0 H ARG A 75 -2.561 15.494 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.922 13.331 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.566 15.684 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.038 16.037 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.807 15.874 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.640 14.588 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.380 13.157 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.571 13.394 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.360 14.890 -8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.203 13.564 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.576 14.243 -12.936 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.926 15.859 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.118 15.547 -11.819 1.00 0.00 H new ATOM 1162 N ARG A 76 -0.849 13.577 -8.316 1.00 0.00 N ATOM 1163 CA ARG A 76 0.090 12.827 -9.169 1.00 0.00 C ATOM 1164 C ARG A 76 0.105 11.361 -8.749 1.00 0.00 C ATOM 1165 O ARG A 76 0.242 10.494 -9.606 1.00 0.00 O ATOM 1166 CB ARG A 76 1.510 13.429 -9.119 1.00 0.00 C ATOM 1167 CG ARG A 76 2.559 12.684 -9.980 1.00 0.00 C ATOM 1168 CD ARG A 76 2.406 12.883 -11.498 1.00 0.00 C ATOM 1169 NE ARG A 76 2.843 14.234 -11.891 1.00 0.00 N ATOM 1170 CZ ARG A 76 2.352 14.984 -12.882 1.00 0.00 C ATOM 1171 NH1 ARG A 76 1.480 14.497 -13.751 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.741 16.245 -12.999 1.00 0.00 N ATOM 0 H ARG A 76 -0.419 14.288 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.251 12.900 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.462 14.467 -9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.850 13.438 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.554 13.015 -9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.499 11.618 -9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.995 12.136 -12.029 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.366 12.733 -11.787 1.00 0.00 H new ATOM 0 HE ARG A 76 3.604 14.641 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.168 13.529 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.120 15.090 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.410 16.636 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.371 16.825 -13.752 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.012 11.077 -7.452 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.045 9.707 -6.976 1.00 0.00 C ATOM 1188 C ALA A 77 -1.389 9.065 -7.307 1.00 0.00 C ATOM 1189 O ALA A 77 -1.381 7.943 -7.798 1.00 0.00 O ATOM 1190 CB ALA A 77 0.254 9.676 -5.488 1.00 0.00 C ATOM 0 H ALA A 77 -0.085 11.781 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 77 0.723 9.122 -7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.229 8.646 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.243 10.098 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.494 10.262 -4.954 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.520 9.776 -7.165 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.789 9.293 -7.690 1.00 0.00 C ATOM 1198 C ILE A 78 -3.615 8.879 -9.169 1.00 0.00 C ATOM 1199 O ILE A 78 -4.054 7.808 -9.564 1.00 0.00 O ATOM 1200 CB ILE A 78 -4.870 10.373 -7.459 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.570 10.224 -6.096 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -5.975 10.427 -8.530 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.706 9.994 -4.856 1.00 0.00 C ATOM 0 H ILE A 78 -2.572 10.679 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.123 8.398 -7.166 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.295 11.298 -7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.161 11.124 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.270 9.392 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.685 11.215 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.529 10.635 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.494 9.469 -8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.346 9.910 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.133 9.075 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.022 10.833 -4.728 1.00 0.00 H new ATOM 1215 N ALA A 79 -2.919 9.668 -9.999 1.00 0.00 N ATOM 1216 CA ALA A 79 -2.706 9.345 -11.412 1.00 0.00 C ATOM 1217 C ALA A 79 -1.922 8.035 -11.670 1.00 0.00 C ATOM 1218 O ALA A 79 -1.867 7.589 -12.821 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.047 10.533 -12.121 1.00 0.00 C ATOM 0 H ALA A 79 -2.489 10.546 -9.708 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.695 9.158 -11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.890 10.288 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.694 11.407 -12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.087 10.750 -11.652 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.311 7.429 -10.647 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.614 6.149 -10.722 1.00 0.00 C ATOM 1227 C ALA A 80 -1.608 4.999 -10.669 1.00 0.00 C ATOM 1228 O ALA A 80 -1.700 4.211 -11.607 1.00 0.00 O ATOM 1229 CB ALA A 80 0.379 6.052 -9.567 1.00 0.00 C ATOM 0 H ALA A 80 -1.290 7.835 -9.711 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.075 6.085 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.903 5.098 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.100 6.866 -9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.156 6.123 -8.620 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.380 4.962 -9.578 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.642 4.252 -9.422 1.00 0.00 C ATOM 1237 C PHE A 81 -4.393 4.296 -10.715 1.00 0.00 C ATOM 1238 O PHE A 81 -4.756 3.255 -11.243 1.00 0.00 O ATOM 1239 CB PHE A 81 -4.460 4.911 -8.308 1.00 0.00 C ATOM 1240 CG PHE A 81 -5.959 5.244 -8.471 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -6.876 4.424 -9.166 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -6.441 6.453 -7.931 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -8.194 4.850 -9.411 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -7.773 6.854 -8.113 1.00 0.00 C ATOM 1245 CZ PHE A 81 -8.644 6.071 -8.886 1.00 0.00 C ATOM 0 H PHE A 81 -2.118 5.462 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.456 3.212 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.376 4.265 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.957 5.846 -8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.559 3.452 -9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.771 7.084 -7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.859 4.238 -10.003 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.129 7.766 -7.658 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.653 6.406 -9.075 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.635 5.502 -11.210 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.561 5.701 -12.288 1.00 0.00 C ATOM 1257 C GLU A 82 -5.037 5.129 -13.593 1.00 0.00 C ATOM 1258 O GLU A 82 -5.815 5.089 -14.549 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.803 7.202 -12.491 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.510 7.906 -11.319 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.871 8.547 -11.635 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.338 8.522 -12.798 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.401 9.298 -10.786 1.00 0.00 O ATOM 0 H GLU A 82 -4.193 6.356 -10.871 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.485 5.187 -12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.844 7.690 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.399 7.341 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.651 7.180 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.847 8.681 -10.934 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.761 4.713 -13.669 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.346 3.959 -14.836 1.00 0.00 C ATOM 1272 C ALA A 83 -3.907 2.546 -14.791 1.00 0.00 C ATOM 1273 O ALA A 83 -4.178 1.973 -15.846 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.825 3.904 -14.945 1.00 0.00 C ATOM 0 H ALA A 83 -3.040 4.881 -12.968 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.739 4.471 -15.714 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.544 3.332 -15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.429 4.916 -15.027 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.414 3.424 -14.057 1.00 0.00 H new ATOM 1280 N MET A 84 -4.088 1.997 -13.592 1.00 0.00 N ATOM 1281 CA MET A 84 -4.281 0.560 -13.409 1.00 0.00 C ATOM 1282 C MET A 84 -5.500 0.266 -12.536 1.00 0.00 C ATOM 1283 O MET A 84 -5.642 -0.847 -12.039 1.00 0.00 O ATOM 1284 CB MET A 84 -2.967 -0.081 -12.917 1.00 0.00 C ATOM 1285 CG MET A 84 -2.160 0.774 -11.930 1.00 0.00 C ATOM 1286 SD MET A 84 -0.724 -0.043 -11.180 1.00 0.00 S ATOM 1287 CE MET A 84 0.203 -0.525 -12.657 1.00 0.00 C ATOM 0 H MET A 84 -4.105 2.532 -12.724 1.00 0.00 H new ATOM 0 HA MET A 84 -4.514 0.091 -14.365 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.200 -1.034 -12.443 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.341 -0.300 -13.782 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.817 1.669 -12.448 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.826 1.103 -11.133 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.244 -0.708 -12.390 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.229 -1.433 -13.078 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.154 0.276 -13.395 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.371 1.254 -12.323 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.533 1.112 -11.441 1.00 0.00 C ATOM 1299 C GLY A 85 -7.149 0.708 -10.011 1.00 0.00 C ATOM 1300 O GLY A 85 -7.944 0.079 -9.315 1.00 0.00 O ATOM 0 H GLY A 85 -6.292 2.174 -12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.079 2.055 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.209 0.364 -11.856 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.937 1.047 -9.560 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.376 0.501 -8.317 1.00 0.00 C ATOM 1306 C VAL A 86 -6.003 1.282 -7.166 1.00 0.00 C ATOM 1307 O VAL A 86 -5.722 2.464 -7.045 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.823 0.489 -8.395 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.025 0.715 -7.099 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.390 -0.853 -8.998 1.00 0.00 C ATOM 0 H VAL A 86 -5.320 1.702 -10.041 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.622 -0.547 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.583 1.363 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.958 0.678 -7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.276 1.690 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.275 -0.063 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.303 -0.888 -9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.741 -1.667 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.818 -0.959 -9.995 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.907 0.673 -6.389 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.744 1.318 -5.381 1.00 0.00 C ATOM 1322 C LYS A 87 -6.884 2.128 -4.417 1.00 0.00 C ATOM 1323 O LYS A 87 -5.860 1.627 -3.947 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.596 0.239 -4.692 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.561 0.772 -3.617 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.024 0.865 -4.055 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.756 -0.475 -3.878 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.177 -1.100 -5.150 1.00 0.00 N ATOM 0 H LYS A 87 -7.080 -0.330 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.427 2.035 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.174 -0.288 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.931 -0.492 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.499 0.126 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.226 1.762 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.530 1.636 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.072 1.171 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.104 -1.166 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.635 -0.318 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.663 -1.998 -4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.824 -0.460 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.341 -1.282 -5.741 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.332 3.323 -4.040 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.631 4.185 -3.107 1.00 0.00 C ATOM 1344 C VAL A 88 -7.590 4.503 -1.967 1.00 0.00 C ATOM 1345 O VAL A 88 -8.407 5.414 -2.068 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.087 5.451 -3.808 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.136 6.224 -2.885 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.308 5.128 -5.082 1.00 0.00 C ATOM 0 H VAL A 88 -8.206 3.721 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.751 3.684 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.966 6.046 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.767 7.110 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.669 6.526 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.295 5.586 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.949 6.053 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.459 4.490 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.960 4.610 -5.786 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.512 3.752 -0.875 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.233 4.058 0.352 1.00 0.00 C ATOM 1360 C ILE A 89 -7.449 5.134 1.105 1.00 0.00 C ATOM 1361 O ILE A 89 -6.216 5.099 1.142 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.480 2.730 1.102 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.695 2.053 0.422 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.704 2.925 2.605 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -10.028 0.648 0.911 1.00 0.00 C ATOM 0 H ILE A 89 -6.942 2.908 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.223 4.486 0.195 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.594 2.099 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.570 2.686 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.510 2.010 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.872 1.957 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.825 3.396 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.574 3.562 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.894 0.270 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.176 -0.009 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.252 0.677 1.977 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.149 6.111 1.695 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.518 7.288 2.285 1.00 0.00 C ATOM 1379 C LYS A 90 -8.030 7.525 3.715 1.00 0.00 C ATOM 1380 O LYS A 90 -9.142 7.122 4.053 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.705 8.508 1.355 1.00 0.00 C ATOM 1382 CG LYS A 90 -7.033 8.386 -0.033 1.00 0.00 C ATOM 1383 CD LYS A 90 -8.007 8.303 -1.210 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.580 9.641 -1.669 1.00 0.00 C ATOM 1385 NZ LYS A 90 -7.820 10.287 -2.754 1.00 0.00 N ATOM 0 H LYS A 90 -9.166 6.104 1.774 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.445 7.122 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.772 8.675 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.309 9.391 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.378 9.244 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.401 7.498 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.497 7.835 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.832 7.647 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.607 9.488 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.619 10.318 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.274 11.188 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.846 10.467 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.803 9.663 -3.586 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.222 8.181 4.558 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.623 8.637 5.894 1.00 0.00 C ATOM 1401 C GLY A 91 -7.127 7.759 7.047 1.00 0.00 C ATOM 1402 O GLY A 91 -7.583 7.927 8.179 1.00 0.00 O ATOM 0 H GLY A 91 -6.256 8.413 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.253 9.651 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.711 8.686 5.935 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.215 6.819 6.785 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.701 5.920 7.813 1.00 0.00 C ATOM 1408 C ALA A 92 -4.801 6.677 8.801 1.00 0.00 C ATOM 1409 O ALA A 92 -4.239 7.722 8.460 1.00 0.00 O ATOM 1410 CB ALA A 92 -4.953 4.777 7.124 1.00 0.00 C ATOM 0 H ALA A 92 -5.816 6.663 5.859 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.524 5.508 8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.561 4.093 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.636 4.240 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.129 5.183 6.538 1.00 0.00 H new ATOM 1416 N SER A 93 -4.630 6.146 10.011 1.00 0.00 N ATOM 1417 CA SER A 93 -3.788 6.729 11.046 1.00 0.00 C ATOM 1418 C SER A 93 -3.433 5.634 12.054 1.00 0.00 C ATOM 1419 O SER A 93 -4.333 4.896 12.458 1.00 0.00 O ATOM 1420 CB SER A 93 -4.532 7.902 11.689 1.00 0.00 C ATOM 1421 OG SER A 93 -5.787 7.544 12.227 1.00 0.00 O ATOM 0 H SER A 93 -5.084 5.280 10.302 1.00 0.00 H new ATOM 0 HA SER A 93 -2.857 7.120 10.635 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.913 8.325 12.480 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.675 8.684 10.944 1.00 0.00 H new ATOM 0 HG SER A 93 -6.210 8.334 12.624 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.149 5.477 12.397 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.661 4.370 13.222 1.00 0.00 C ATOM 1429 C GLY A 94 -0.443 3.665 12.616 1.00 0.00 C ATOM 1430 O GLY A 94 0.533 4.347 12.280 1.00 0.00 O ATOM 0 H GLY A 94 -1.414 6.122 12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.401 4.748 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.463 3.645 13.359 1.00 0.00 H new ATOM 1434 N THR A 95 -0.467 2.329 12.534 1.00 0.00 N ATOM 1435 CA THR A 95 0.670 1.463 12.191 1.00 0.00 C ATOM 1436 C THR A 95 0.275 0.410 11.149 1.00 0.00 C ATOM 1437 O THR A 95 -0.906 0.111 11.003 1.00 0.00 O ATOM 1438 CB THR A 95 1.184 0.748 13.452 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.122 0.234 14.232 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.039 1.654 14.323 1.00 0.00 C ATOM 0 H THR A 95 -1.319 1.797 12.713 1.00 0.00 H new ATOM 0 HA THR A 95 1.453 2.095 11.771 1.00 0.00 H new ATOM 0 HB THR A 95 1.801 -0.075 13.092 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.485 -0.215 15.024 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.377 1.102 15.200 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.904 1.996 13.754 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.450 2.515 14.640 1.00 0.00 H new ATOM 1448 N VAL A 96 1.229 -0.182 10.421 1.00 0.00 N ATOM 1449 CA VAL A 96 0.913 -0.962 9.222 1.00 0.00 C ATOM 1450 C VAL A 96 0.067 -2.195 9.566 1.00 0.00 C ATOM 1451 O VAL A 96 -0.907 -2.502 8.873 1.00 0.00 O ATOM 1452 CB VAL A 96 2.213 -1.372 8.496 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.007 -2.506 7.490 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.810 -0.177 7.765 1.00 0.00 C ATOM 0 H VAL A 96 2.224 -0.135 10.642 1.00 0.00 H new ATOM 0 HA VAL A 96 0.322 -0.336 8.554 1.00 0.00 H new ATOM 0 HB VAL A 96 2.891 -1.731 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.957 -2.747 7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.626 -3.387 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.290 -2.193 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.726 -0.481 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.095 0.195 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.037 0.612 8.482 1.00 0.00 H new ATOM 1464 N GLU A 97 0.438 -2.926 10.619 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.290 -4.132 11.034 1.00 0.00 C ATOM 1466 C GLU A 97 -1.702 -3.842 11.519 1.00 0.00 C ATOM 1467 O GLU A 97 -2.487 -4.767 11.749 1.00 0.00 O ATOM 1468 CB GLU A 97 0.448 -4.881 12.133 1.00 0.00 C ATOM 1469 CG GLU A 97 0.702 -4.014 13.376 1.00 0.00 C ATOM 1470 CD GLU A 97 0.791 -4.883 14.626 1.00 0.00 C ATOM 1471 OE1 GLU A 97 -0.235 -5.511 14.987 1.00 0.00 O ATOM 1472 OE2 GLU A 97 1.871 -4.997 15.250 1.00 0.00 O ATOM 0 H GLU A 97 1.243 -2.704 11.205 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.352 -4.747 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.131 -5.759 12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.401 -5.240 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.627 -3.451 13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.101 -3.286 13.489 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.001 -2.571 11.737 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.263 -2.097 12.231 1.00 0.00 C ATOM 1481 C GLU A 98 -4.056 -1.505 11.075 1.00 0.00 C ATOM 1482 O GLU A 98 -5.212 -1.872 10.942 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.007 -1.112 13.356 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.313 -0.806 14.083 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.286 0.650 14.493 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.482 1.502 13.602 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.025 0.932 15.684 1.00 0.00 O ATOM 0 H GLU A 98 -1.335 -1.818 11.564 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.865 -2.906 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.280 -1.525 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.579 -0.193 12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.166 -1.004 13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.422 -1.447 14.958 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.457 -0.708 10.179 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.077 -0.271 8.930 1.00 0.00 C ATOM 1496 C VAL A 99 -4.743 -1.447 8.222 1.00 0.00 C ATOM 1497 O VAL A 99 -5.890 -1.365 7.773 1.00 0.00 O ATOM 1498 CB VAL A 99 -2.991 0.321 8.004 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.536 0.621 6.620 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.417 1.635 8.506 1.00 0.00 C ATOM 0 H VAL A 99 -2.512 -0.345 10.308 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.833 0.480 9.158 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.218 -0.447 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.742 1.036 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.908 -0.299 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.350 1.342 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.661 1.992 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.215 2.373 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.963 1.483 9.485 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.987 -2.535 8.078 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.446 -3.710 7.373 1.00 0.00 C ATOM 1512 C VAL A 100 -5.630 -4.323 8.121 1.00 0.00 C ATOM 1513 O VAL A 100 -6.595 -4.731 7.472 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.254 -4.656 7.152 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.704 -5.981 6.526 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -2.258 -4.008 6.169 1.00 0.00 C ATOM 0 H VAL A 100 -3.041 -2.617 8.450 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.825 -3.468 6.380 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.798 -4.840 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.839 -6.628 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.418 -6.472 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.176 -5.787 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.413 -4.679 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.755 -3.822 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.901 -3.065 6.582 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.607 -4.330 9.458 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.775 -4.724 10.227 1.00 0.00 C ATOM 1528 C ASN A 101 -7.934 -3.776 9.951 1.00 0.00 C ATOM 1529 O ASN A 101 -8.991 -4.271 9.601 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.498 -4.819 11.729 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.774 -5.230 12.456 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.622 -4.394 12.756 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.950 -6.506 12.745 1.00 0.00 N ATOM 0 H ASN A 101 -4.796 -4.068 10.019 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.045 -5.728 9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.708 -5.546 11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.145 -3.859 12.106 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.799 -6.808 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.237 -7.190 12.490 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.763 -2.454 10.046 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.859 -1.484 9.927 1.00 0.00 C ATOM 1542 C GLN A 102 -9.616 -1.645 8.596 1.00 0.00 C ATOM 1543 O GLN A 102 -10.839 -1.479 8.521 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.347 -0.034 10.062 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.651 0.313 11.397 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.835 1.770 11.846 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.875 2.394 11.637 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -6.851 2.374 12.487 1.00 0.00 N ATOM 0 H GLN A 102 -6.853 -2.022 10.209 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.549 -1.689 10.746 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.648 0.162 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.191 0.643 9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.035 -0.346 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.585 0.106 11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.980 1.875 12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -6.962 3.339 12.798 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.885 -1.951 7.523 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.428 -2.249 6.210 1.00 0.00 C ATOM 1559 C TYR A 103 -10.156 -3.584 6.184 1.00 0.00 C ATOM 1560 O TYR A 103 -11.292 -3.650 5.712 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.263 -2.254 5.230 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.554 -2.883 3.884 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.293 -2.188 2.908 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.090 -4.184 3.616 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.554 -2.806 1.667 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.353 -4.794 2.385 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.116 -4.124 1.414 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.431 -4.759 0.250 1.00 0.00 O ATOM 0 H TYR A 103 -7.866 -1.998 7.552 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.166 -1.494 5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.940 -1.225 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.427 -2.783 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.657 -1.191 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.526 -4.716 4.367 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.094 -2.266 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.969 -5.782 2.180 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.637 -5.216 -0.099 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.527 -4.653 6.675 1.00 0.00 N ATOM 1579 CA LEU A 104 -10.145 -5.977 6.707 1.00 0.00 C ATOM 1580 C LEU A 104 -11.386 -5.956 7.601 1.00 0.00 C ATOM 1581 O LEU A 104 -12.380 -6.597 7.267 1.00 0.00 O ATOM 1582 CB LEU A 104 -9.140 -7.041 7.184 1.00 0.00 C ATOM 1583 CG LEU A 104 -8.057 -7.403 6.145 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -7.124 -8.481 6.706 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -8.636 -7.878 4.805 1.00 0.00 C ATOM 0 H LEU A 104 -8.582 -4.625 7.059 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.452 -6.242 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.652 -6.683 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.686 -7.945 7.452 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.503 -6.485 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.365 -8.727 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.641 -8.110 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.702 -9.374 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.822 -8.116 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.246 -8.767 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.252 -7.089 4.375 1.00 0.00 H new ATOM 1597 N SER A 105 -11.386 -5.111 8.627 1.00 0.00 N ATOM 1598 CA SER A 105 -12.485 -4.848 9.540 1.00 0.00 C ATOM 1599 C SER A 105 -13.587 -3.988 8.901 1.00 0.00 C ATOM 1600 O SER A 105 -14.593 -3.701 9.555 1.00 0.00 O ATOM 1601 CB SER A 105 -11.907 -4.194 10.800 1.00 0.00 C ATOM 1602 OG SER A 105 -11.112 -5.134 11.506 1.00 0.00 O ATOM 0 H SER A 105 -10.561 -4.556 8.855 1.00 0.00 H new ATOM 0 HA SER A 105 -12.971 -5.788 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.306 -3.327 10.528 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.715 -3.835 11.438 1.00 0.00 H new ATOM 0 HG SER A 105 -10.318 -4.686 11.866 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.414 -3.572 7.638 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.443 -2.962 6.801 1.00 0.00 C ATOM 1610 C GLY A 106 -14.536 -1.453 6.979 1.00 0.00 C ATOM 1611 O GLY A 106 -15.205 -0.779 6.188 1.00 0.00 O ATOM 0 H GLY A 106 -12.518 -3.657 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.234 -3.187 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.408 -3.410 7.036 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.834 -0.900 7.969 1.00 0.00 N ATOM 1616 CA GLN A 107 -14.031 0.480 8.381 1.00 0.00 C ATOM 1617 C GLN A 107 -13.425 1.400 7.321 1.00 0.00 C ATOM 1618 O GLN A 107 -14.030 2.377 6.888 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.359 0.712 9.745 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.748 -0.255 10.876 1.00 0.00 C ATOM 1621 CD GLN A 107 -15.148 -0.040 11.450 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -16.096 0.313 10.761 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.302 -0.236 12.747 1.00 0.00 N ATOM 0 H GLN A 107 -13.119 -1.396 8.501 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.095 0.696 8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.279 0.658 9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.588 1.727 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.677 -1.276 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.021 -0.159 11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.508 -0.530 13.316 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.215 -0.093 13.180 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.213 1.058 6.894 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.338 1.920 6.123 1.00 0.00 C ATOM 1634 C LEU A 108 -11.832 1.943 4.692 1.00 0.00 C ATOM 1635 O LEU A 108 -12.148 0.892 4.128 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.922 1.352 6.193 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.794 2.372 6.343 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.871 3.197 7.631 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.498 1.568 6.351 1.00 0.00 C ATOM 0 H LEU A 108 -11.805 0.143 7.084 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.335 2.937 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.872 0.659 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.741 0.771 5.289 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.861 3.089 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.037 3.898 7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.810 3.749 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.821 2.532 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.650 2.245 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.509 0.868 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.407 1.015 5.416 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.895 3.129 4.102 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.518 3.314 2.799 1.00 0.00 C ATOM 1653 C LYS A 109 -12.050 4.579 2.078 1.00 0.00 C ATOM 1654 O LYS A 109 -11.162 5.296 2.550 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.051 3.245 2.962 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.702 2.720 1.675 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.810 1.702 1.946 1.00 0.00 C ATOM 1658 CE LYS A 109 -17.102 2.414 2.346 1.00 0.00 C ATOM 1659 NZ LYS A 109 -18.268 1.539 2.141 1.00 0.00 N ATOM 0 H LYS A 109 -11.518 3.985 4.510 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.197 2.503 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.305 2.593 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.443 4.234 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.114 3.558 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.938 2.261 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.982 1.096 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.501 1.022 2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.047 2.715 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.217 3.325 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.134 2.044 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.330 1.272 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.165 0.682 2.721 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.571 4.780 0.872 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.071 5.674 -0.162 1.00 0.00 C ATOM 1675 C ASP A 110 -13.130 6.675 -0.631 1.00 0.00 C ATOM 1676 O ASP A 110 -12.914 7.395 -1.603 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.602 4.850 -1.375 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.741 4.064 -2.025 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.310 3.200 -1.319 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.023 4.295 -3.219 1.00 0.00 O ATOM 0 H ASP A 110 -13.412 4.287 0.572 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.244 6.235 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.158 5.517 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.821 4.158 -1.060 1.00 0.00 H new ATOM 1685 N SER A 111 -14.221 6.813 0.116 1.00 0.00 N ATOM 1686 CA SER A 111 -15.291 7.781 -0.106 1.00 0.00 C ATOM 1687 C SER A 111 -15.773 7.763 -1.571 1.00 0.00 C ATOM 1688 O SER A 111 -16.034 6.680 -2.099 1.00 0.00 O ATOM 1689 CB SER A 111 -14.810 9.122 0.458 1.00 0.00 C ATOM 1690 OG SER A 111 -15.889 9.978 0.804 1.00 0.00 O ATOM 0 H SER A 111 -14.392 6.225 0.932 1.00 0.00 H new ATOM 0 HA SER A 111 -16.207 7.531 0.430 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.194 8.943 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.177 9.618 -0.278 1.00 0.00 H new ATOM 0 HG SER A 111 -15.537 10.820 1.161 1.00 0.00 H new ATOM 1696 N ASP A 112 -15.964 8.920 -2.206 1.00 0.00 N ATOM 1697 CA ASP A 112 -16.585 9.087 -3.523 1.00 0.00 C ATOM 1698 C ASP A 112 -15.920 10.271 -4.229 1.00 0.00 C ATOM 1699 O ASP A 112 -15.967 11.387 -3.699 1.00 0.00 O ATOM 1700 CB ASP A 112 -18.081 9.339 -3.308 1.00 0.00 C ATOM 1701 CG ASP A 112 -18.879 9.461 -4.604 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -18.312 9.818 -5.661 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -20.107 9.212 -4.548 1.00 0.00 O ATOM 0 H ASP A 112 -15.677 9.809 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.458 8.201 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -18.495 8.525 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.206 10.253 -2.728 1.00 0.00 H new ATOM 1708 N TYR A 113 -15.196 10.029 -5.330 1.00 0.00 N ATOM 1709 CA TYR A 113 -14.205 10.988 -5.821 1.00 0.00 C ATOM 1710 C TYR A 113 -13.964 10.965 -7.338 1.00 0.00 C ATOM 1711 O TYR A 113 -12.996 11.550 -7.821 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.915 10.753 -5.005 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.851 11.829 -5.096 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -12.072 13.082 -4.500 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.648 11.588 -5.783 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -11.105 14.096 -4.606 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.675 12.594 -5.888 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.895 13.854 -5.297 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.918 14.798 -5.345 1.00 0.00 O ATOM 0 H TYR A 113 -15.279 9.182 -5.892 1.00 0.00 H new ATOM 0 HA TYR A 113 -14.591 11.996 -5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -13.191 10.634 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.474 9.810 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -12.988 13.266 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.472 10.622 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.286 15.062 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.756 12.402 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.159 14.457 -5.862 1.00 0.00 H new ATOM 1729 N GLU A 114 -14.833 10.337 -8.120 1.00 0.00 N ATOM 1730 CA GLU A 114 -14.563 10.003 -9.526 1.00 0.00 C ATOM 1731 C GLU A 114 -15.567 10.630 -10.497 1.00 0.00 C ATOM 1732 O GLU A 114 -15.849 10.104 -11.575 1.00 0.00 O ATOM 1733 CB GLU A 114 -14.344 8.489 -9.674 1.00 0.00 C ATOM 1734 CG GLU A 114 -12.952 8.117 -9.128 1.00 0.00 C ATOM 1735 CD GLU A 114 -12.773 6.614 -8.938 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -13.279 6.088 -7.921 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -12.036 5.971 -9.715 1.00 0.00 O ATOM 0 H GLU A 114 -15.755 10.040 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.627 10.471 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.117 7.944 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.425 8.199 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.188 8.485 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.795 8.620 -8.174 1.00 0.00 H new ATOM 1744 N VAL A 115 -16.023 11.834 -10.149 1.00 0.00 N ATOM 1745 CA VAL A 115 -16.799 12.715 -11.003 1.00 0.00 C ATOM 1746 C VAL A 115 -16.189 12.807 -12.406 1.00 0.00 C ATOM 1747 O VAL A 115 -14.966 12.904 -12.569 1.00 0.00 O ATOM 1748 CB VAL A 115 -16.940 14.091 -10.332 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -17.781 13.992 -9.053 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -15.591 14.745 -9.984 1.00 0.00 C ATOM 0 H VAL A 115 -15.851 12.232 -9.226 1.00 0.00 H new ATOM 0 HA VAL A 115 -17.799 12.301 -11.133 1.00 0.00 H new ATOM 0 HB VAL A 115 -17.436 14.723 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -17.866 14.978 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -18.775 13.619 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -17.300 13.309 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -15.766 15.713 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -15.041 14.102 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -15.009 14.884 -10.895 1.00 0.00 H new ATOM 1760 N HIS A 116 -17.050 12.759 -13.424 1.00 0.00 N ATOM 1761 CA HIS A 116 -16.687 12.501 -14.815 1.00 0.00 C ATOM 1762 C HIS A 116 -17.075 13.671 -15.719 1.00 0.00 C ATOM 1763 O HIS A 116 -17.597 13.484 -16.815 1.00 0.00 O ATOM 1764 CB HIS A 116 -17.271 11.142 -15.243 1.00 0.00 C ATOM 1765 CG HIS A 116 -18.754 10.967 -15.015 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -19.751 11.269 -15.925 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -19.324 10.316 -13.953 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -20.905 10.782 -15.425 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -20.671 10.188 -14.236 1.00 0.00 N ATOM 0 H HIS A 116 -18.052 12.904 -13.297 1.00 0.00 H new ATOM 0 HA HIS A 116 -15.604 12.428 -14.917 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -17.065 10.996 -16.303 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.744 10.355 -14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -18.818 9.969 -13.064 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -21.870 10.856 -15.904 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -21.366 9.726 -13.649 1.00 0.00 H new ATOM 1778 N ASP A 117 -16.867 14.899 -15.246 1.00 0.00 N ATOM 1779 CA ASP A 117 -17.278 16.147 -15.899 1.00 0.00 C ATOM 1780 C ASP A 117 -16.079 17.038 -16.257 1.00 0.00 C ATOM 1781 O ASP A 117 -16.144 17.850 -17.182 1.00 0.00 O ATOM 1782 CB ASP A 117 -18.198 16.921 -14.939 1.00 0.00 C ATOM 1783 CG ASP A 117 -17.398 17.538 -13.782 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -16.697 16.772 -13.078 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -17.379 18.782 -13.644 1.00 0.00 O ATOM 0 H ASP A 117 -16.388 15.061 -14.360 1.00 0.00 H new ATOM 0 HA ASP A 117 -17.791 15.889 -16.826 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -18.719 17.708 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -18.960 16.251 -14.541 1.00 0.00 H new ATOM 1790 N HIS A 118 -14.974 16.909 -15.522 1.00 0.00 N ATOM 1791 CA HIS A 118 -13.875 17.865 -15.472 1.00 0.00 C ATOM 1792 C HIS A 118 -12.569 17.088 -15.379 1.00 0.00 C ATOM 1793 O HIS A 118 -12.561 15.980 -14.847 1.00 0.00 O ATOM 1794 CB HIS A 118 -14.099 18.779 -14.263 1.00 0.00 C ATOM 1795 CG HIS A 118 -12.938 19.663 -13.900 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -12.048 19.422 -12.873 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -12.666 20.891 -14.430 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -11.249 20.501 -12.774 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -11.605 21.402 -13.712 1.00 0.00 N ATOM 0 H HIS A 118 -14.817 16.100 -14.921 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.829 18.488 -16.365 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -14.966 19.409 -14.461 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.346 18.159 -13.401 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.181 21.369 -15.251 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -10.450 20.625 -12.058 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.164 22.309 -13.865 1.00 0.00 H new ATOM 1808 N HIS A 119 -11.475 17.667 -15.882 1.00 0.00 N ATOM 1809 CA HIS A 119 -10.110 17.162 -15.750 1.00 0.00 C ATOM 1810 C HIS A 119 -9.124 18.313 -15.992 1.00 0.00 C ATOM 1811 O HIS A 119 -9.545 19.475 -16.024 1.00 0.00 O ATOM 1812 CB HIS A 119 -9.881 15.917 -16.634 1.00 0.00 C ATOM 1813 CG HIS A 119 -10.136 16.008 -18.125 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -11.247 16.538 -18.772 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -9.427 15.290 -19.049 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -11.200 16.141 -20.056 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -10.100 15.393 -20.249 1.00 0.00 N ATOM 0 H HIS A 119 -11.521 18.536 -16.414 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.933 16.805 -14.736 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -8.846 15.604 -16.497 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -10.510 15.117 -16.243 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.512 14.745 -18.872 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -11.931 16.385 -20.813 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -9.812 14.973 -21.133 1.00 0.00 H new ATOM 1826 N HIS A 120 -7.818 18.038 -16.093 1.00 0.00 N ATOM 1827 CA HIS A 120 -6.760 19.040 -16.276 1.00 0.00 C ATOM 1828 C HIS A 120 -5.821 18.577 -17.393 1.00 0.00 C ATOM 1829 O HIS A 120 -4.595 18.559 -17.244 1.00 0.00 O ATOM 1830 CB HIS A 120 -6.057 19.266 -14.926 1.00 0.00 C ATOM 1831 CG HIS A 120 -5.030 20.368 -14.922 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -5.267 21.717 -15.101 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -3.686 20.187 -14.755 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -4.069 22.334 -15.050 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -3.092 21.428 -14.842 1.00 0.00 N ATOM 0 H HIS A 120 -7.457 17.085 -16.048 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.162 20.003 -16.589 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.812 19.490 -14.173 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -5.573 18.337 -14.625 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -3.183 19.247 -14.586 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.915 23.397 -15.160 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.094 21.625 -14.763 1.00 0.00 H new ATOM 1844 N HIS A 121 -6.400 18.166 -18.524 1.00 0.00 N ATOM 1845 CA HIS A 121 -5.952 17.037 -19.335 1.00 0.00 C ATOM 1846 C HIS A 121 -5.854 15.774 -18.472 1.00 0.00 C ATOM 1847 O HIS A 121 -6.016 15.809 -17.253 1.00 0.00 O ATOM 1848 CB HIS A 121 -4.615 17.305 -20.048 1.00 0.00 C ATOM 1849 CG HIS A 121 -4.567 18.491 -20.980 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -4.542 18.416 -22.361 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -4.371 19.798 -20.617 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -4.331 19.665 -22.818 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -4.224 20.523 -21.784 1.00 0.00 N ATOM 0 H HIS A 121 -7.222 18.628 -18.912 1.00 0.00 H new ATOM 0 HA HIS A 121 -6.698 16.890 -20.116 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -3.845 17.439 -19.288 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -4.349 16.414 -20.617 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.338 20.187 -19.610 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.258 19.939 -23.860 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.063 21.528 -21.851 1.00 0.00 H new ATOM 1862 N GLU A 122 -5.583 14.645 -19.111 1.00 0.00 N ATOM 1863 CA GLU A 122 -5.009 13.484 -18.455 1.00 0.00 C ATOM 1864 C GLU A 122 -3.553 13.808 -18.130 1.00 0.00 C ATOM 1865 O GLU A 122 -3.271 14.099 -16.971 1.00 0.00 O ATOM 1866 CB GLU A 122 -5.181 12.263 -19.363 1.00 0.00 C ATOM 1867 CG GLU A 122 -6.595 11.716 -19.175 1.00 0.00 C ATOM 1868 CD GLU A 122 -7.042 10.862 -20.351 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -6.542 9.729 -20.513 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -7.925 11.353 -21.092 1.00 0.00 O ATOM 0 H GLU A 122 -5.757 14.510 -20.107 1.00 0.00 H new ATOM 0 HA GLU A 122 -5.511 13.242 -17.518 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.017 12.539 -20.405 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -4.443 11.500 -19.116 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.635 11.123 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.290 12.546 -19.046 1.00 0.00 H new ATOM 1877 N HIS A 123 -2.659 13.840 -19.132 1.00 0.00 N ATOM 1878 CA HIS A 123 -1.198 13.767 -19.006 1.00 0.00 C ATOM 1879 C HIS A 123 -0.806 12.385 -18.481 1.00 0.00 C ATOM 1880 O HIS A 123 -1.081 12.061 -17.324 1.00 0.00 O ATOM 1881 CB HIS A 123 -0.609 14.898 -18.135 1.00 0.00 C ATOM 1882 CG HIS A 123 0.891 15.026 -18.252 1.00 0.00 C ATOM 1883 ND1 HIS A 123 1.824 14.145 -17.734 1.00 0.00 N ATOM 1884 CD2 HIS A 123 1.562 15.976 -18.973 1.00 0.00 C ATOM 1885 CE1 HIS A 123 3.034 14.525 -18.173 1.00 0.00 C ATOM 1886 NE2 HIS A 123 2.901 15.640 -18.914 1.00 0.00 N ATOM 0 H HIS A 123 -2.955 13.922 -20.105 1.00 0.00 H new ATOM 0 HA HIS A 123 -0.767 13.913 -19.996 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.070 15.844 -18.420 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -0.871 14.717 -17.092 1.00 0.00 H new ATOM 0 HD1 HIS A 123 1.627 13.349 -17.127 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.130 16.822 -19.487 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.964 14.018 -17.965 1.00 0.00 H new ATOM 1895 N HIS A 124 -0.150 11.574 -19.307 1.00 0.00 N ATOM 1896 CA HIS A 124 0.620 10.437 -18.816 1.00 0.00 C ATOM 1897 C HIS A 124 1.835 11.059 -18.147 1.00 0.00 C ATOM 1898 O HIS A 124 1.720 11.539 -16.998 1.00 0.00 O ATOM 1899 CB HIS A 124 0.983 9.477 -19.962 1.00 0.00 C ATOM 1900 CG HIS A 124 -0.209 8.887 -20.671 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -0.837 9.437 -21.774 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -0.882 7.750 -20.312 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -1.884 8.647 -22.073 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -1.920 7.610 -21.212 1.00 0.00 N ATOM 0 H HIS A 124 -0.137 11.684 -20.321 1.00 0.00 H new ATOM 0 HA HIS A 124 0.064 9.818 -18.112 1.00 0.00 H new ATOM 0 HB2 HIS A 124 1.597 10.010 -20.688 1.00 0.00 H new ATOM 0 HB3 HIS A 124 1.593 8.666 -19.563 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.647 7.093 -19.488 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.585 8.817 -22.876 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -2.600 6.850 -21.223 1.00 0.00 H new TER 1913 HIS A 124