USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 4 ASN : amide:sc= -4.35 K(o=-11,f=0.11) USER MOD Set 1.2: A 119 GLN : amide:sc= -6.23! K(o=-11!,f=0.11) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= -0.0645 USER MOD Set 2.2: A 105 ASN : amide:sc= -0.118 K(o=-0.18,f=-6.5!) USER MOD Set 3.1: A 11 HIS : no HD1:sc= -1.57 K(o=-1.9,f=-0.92) USER MOD Set 3.2: A 88 ASN : amide:sc= -0.335 X(o=-1.9,f=-1.5) USER MOD Single : A 1 GLU N :NH3+ -175:sc= -1.51! (180deg=-1.8!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 9 THR OG1 : rot 72:sc= 1.45 USER MOD Single : A 10 TYR OH : rot -133:sc= -1.36! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0077 K(o=-0.0077,f=-0.68) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 19 ASN : amide:sc= -0.695 K(o=-0.69,f=-6.2!) USER MOD Single : A 28 SER OG : rot 27:sc= 1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= -0.117 (180deg=-0.93) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.592 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.167) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.423 USER MOD Single : A 49 THR OG1 : rot 7:sc= -0.933 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= -0.528 (180deg=-9.25!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 71 ASN : amide:sc= 0.909 K(o=0.91,f=-1.5) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 85 GLN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 97 THR OG1 : rot -109:sc= -0.475 USER MOD Single : A 100 THR OG1 : rot -127:sc= -1.23 USER MOD Single : A 101 LYS NZ :NH3+ 173:sc= 0.173 (180deg=0.156) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.923 K(o=-0.92,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.775 K(o=-0.77,f=-0.12) USER MOD Single : A 113 HIS : no HD1:sc= -0.909 K(o=-0.91,f=-0.22) USER MOD Single : A 115 ASN : amide:sc= 0.193 K(o=0.19,f=-5.5!) USER MOD Single : A 117 ASN : amide:sc= 0.467 K(o=0.47,f=-9.6!) USER MOD Single : A 118 TYR OH : rot 25:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.263 15.663 0.936 1.00 0.00 N ATOM 2 CA GLU A 1 3.234 15.723 -0.558 1.00 0.00 C ATOM 3 C GLU A 1 4.207 14.699 -1.224 1.00 0.00 C ATOM 4 O GLU A 1 3.818 13.919 -2.079 1.00 0.00 O ATOM 5 CB GLU A 1 3.541 17.218 -1.016 1.00 0.00 C ATOM 6 CG GLU A 1 4.428 18.092 -0.045 1.00 0.00 C ATOM 7 CD GLU A 1 3.732 18.424 1.280 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.731 19.104 1.231 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.272 17.927 2.252 1.00 0.00 O ATOM 0 H1 GLU A 1 2.539 16.302 1.323 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.069 14.690 1.248 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.201 15.955 1.277 1.00 0.00 H new ATOM 0 HA GLU A 1 2.239 15.434 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.035 17.181 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.590 17.731 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.357 17.561 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.698 19.021 -0.548 1.00 0.00 H new ATOM 18 N GLN A 2 5.455 14.720 -0.817 1.00 0.00 N ATOM 19 CA GLN A 2 6.468 13.763 -1.404 1.00 0.00 C ATOM 20 C GLN A 2 7.419 13.114 -0.358 1.00 0.00 C ATOM 21 O GLN A 2 7.853 13.800 0.547 1.00 0.00 O ATOM 22 CB GLN A 2 7.320 14.542 -2.427 1.00 0.00 C ATOM 23 CG GLN A 2 6.448 15.183 -3.543 1.00 0.00 C ATOM 24 CD GLN A 2 7.343 15.898 -4.547 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.320 15.629 -5.726 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.151 16.816 -4.140 1.00 0.00 N ATOM 0 H GLN A 2 5.822 15.353 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 2 5.907 12.945 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.881 15.322 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.050 13.869 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.862 14.414 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.741 15.888 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.188 17.060 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.753 17.298 -4.807 1.00 0.00 H new ATOM 35 N ALA A 3 7.714 11.840 -0.484 1.00 0.00 N ATOM 36 CA ALA A 3 8.649 11.194 0.498 1.00 0.00 C ATOM 37 C ALA A 3 9.708 10.474 -0.368 1.00 0.00 C ATOM 38 O ALA A 3 9.356 9.780 -1.312 1.00 0.00 O ATOM 39 CB ALA A 3 7.870 10.210 1.347 1.00 0.00 C ATOM 0 H ALA A 3 7.354 11.225 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 3 9.118 11.906 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.541 9.736 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.081 10.737 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.427 9.448 0.706 1.00 0.00 H new ATOM 45 N ASN A 4 10.957 10.659 -0.038 1.00 0.00 N ATOM 46 CA ASN A 4 12.047 10.004 -0.822 1.00 0.00 C ATOM 47 C ASN A 4 12.988 9.245 0.148 1.00 0.00 C ATOM 48 O ASN A 4 12.837 9.402 1.342 1.00 0.00 O ATOM 49 CB ASN A 4 12.700 11.175 -1.619 1.00 0.00 C ATOM 50 CG ASN A 4 11.619 11.969 -2.389 1.00 0.00 C ATOM 51 OD1 ASN A 4 10.952 12.848 -1.884 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.395 11.690 -3.632 1.00 0.00 N ATOM 0 H ASN A 4 11.272 11.236 0.742 1.00 0.00 H new ATOM 0 HA ASN A 4 11.722 9.236 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.230 11.838 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.438 10.781 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.680 12.202 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.933 10.958 -4.095 1.00 0.00 H new ATOM 59 N ASP A 5 13.914 8.465 -0.360 1.00 0.00 N ATOM 60 CA ASP A 5 14.885 7.657 0.479 1.00 0.00 C ATOM 61 C ASP A 5 14.103 6.989 1.649 1.00 0.00 C ATOM 62 O ASP A 5 14.479 6.986 2.807 1.00 0.00 O ATOM 63 CB ASP A 5 16.006 8.664 0.953 1.00 0.00 C ATOM 64 CG ASP A 5 17.080 7.985 1.811 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.446 6.889 1.404 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.466 8.605 2.790 1.00 0.00 O ATOM 0 H ASP A 5 14.048 8.345 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 5 15.360 6.843 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.476 9.117 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.547 9.472 1.523 1.00 0.00 H new ATOM 71 N VAL A 6 12.993 6.414 1.250 1.00 0.00 N ATOM 72 CA VAL A 6 12.120 5.737 2.255 1.00 0.00 C ATOM 73 C VAL A 6 12.325 4.218 2.187 1.00 0.00 C ATOM 74 O VAL A 6 12.452 3.598 1.140 1.00 0.00 O ATOM 75 CB VAL A 6 10.609 6.076 1.976 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.716 5.621 3.175 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.393 7.594 1.815 1.00 0.00 C ATOM 0 H VAL A 6 12.659 6.385 0.287 1.00 0.00 H new ATOM 0 HA VAL A 6 12.389 6.094 3.249 1.00 0.00 H new ATOM 0 HB VAL A 6 10.337 5.554 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.674 5.863 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.817 4.545 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.033 6.137 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.339 7.793 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.698 8.104 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.989 7.960 0.979 1.00 0.00 H new ATOM 87 N ARG A 7 12.332 3.663 3.367 1.00 0.00 N ATOM 88 CA ARG A 7 12.519 2.190 3.537 1.00 0.00 C ATOM 89 C ARG A 7 11.117 1.599 3.298 1.00 0.00 C ATOM 90 O ARG A 7 10.297 1.581 4.197 1.00 0.00 O ATOM 91 CB ARG A 7 13.010 1.892 4.987 1.00 0.00 C ATOM 92 CG ARG A 7 14.107 2.889 5.481 1.00 0.00 C ATOM 93 CD ARG A 7 14.731 2.271 6.740 1.00 0.00 C ATOM 94 NE ARG A 7 15.611 3.300 7.402 1.00 0.00 N ATOM 95 CZ ARG A 7 15.930 3.209 8.638 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.593 2.180 8.971 1.00 0.00 N ATOM 97 NH2 ARG A 7 15.585 4.122 9.451 1.00 0.00 N ATOM 0 H ARG A 7 12.214 4.177 4.240 1.00 0.00 H new ATOM 0 HA ARG A 7 13.260 1.768 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.159 1.931 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.405 0.877 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.863 3.045 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.672 3.864 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.950 1.944 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.314 1.388 6.478 1.00 0.00 H new ATOM 0 HE ARG A 7 15.960 4.086 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.841 1.484 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.878 2.049 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.054 4.927 9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.839 4.050 10.436 1.00 0.00 H new ATOM 111 N ALA A 8 10.885 1.138 2.101 1.00 0.00 N ATOM 112 CA ALA A 8 9.560 0.557 1.757 1.00 0.00 C ATOM 113 C ALA A 8 9.411 -0.899 2.212 1.00 0.00 C ATOM 114 O ALA A 8 9.978 -1.810 1.636 1.00 0.00 O ATOM 115 CB ALA A 8 9.366 0.671 0.215 1.00 0.00 C ATOM 0 H ALA A 8 11.564 1.139 1.340 1.00 0.00 H new ATOM 0 HA ALA A 8 8.790 1.116 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.399 0.251 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.404 1.720 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.159 0.123 -0.293 1.00 0.00 H new ATOM 121 N THR A 9 8.644 -1.046 3.257 1.00 0.00 N ATOM 122 CA THR A 9 8.347 -2.383 3.864 1.00 0.00 C ATOM 123 C THR A 9 7.200 -2.794 2.980 1.00 0.00 C ATOM 124 O THR A 9 6.057 -2.584 3.317 1.00 0.00 O ATOM 125 CB THR A 9 7.859 -2.238 5.326 1.00 0.00 C ATOM 126 OG1 THR A 9 6.868 -1.217 5.299 1.00 0.00 O ATOM 127 CG2 THR A 9 8.900 -1.585 6.174 1.00 0.00 C ATOM 0 H THR A 9 8.192 -0.266 3.735 1.00 0.00 H new ATOM 0 HA THR A 9 9.193 -3.069 3.910 1.00 0.00 H new ATOM 0 HB THR A 9 7.566 -3.222 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.058 -1.559 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.533 -1.495 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.807 -2.189 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.121 -0.593 5.779 1.00 0.00 H new ATOM 135 N TYR A 10 7.517 -3.386 1.865 1.00 0.00 N ATOM 136 CA TYR A 10 6.412 -3.788 0.954 1.00 0.00 C ATOM 137 C TYR A 10 5.645 -5.088 1.277 1.00 0.00 C ATOM 138 O TYR A 10 6.183 -6.153 1.492 1.00 0.00 O ATOM 139 CB TYR A 10 7.005 -3.874 -0.513 1.00 0.00 C ATOM 140 CG TYR A 10 7.525 -5.301 -0.801 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.731 -5.788 -0.314 1.00 0.00 C ATOM 142 CD2 TYR A 10 6.725 -6.140 -1.554 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.106 -7.085 -0.578 1.00 0.00 C ATOM 144 CE2 TYR A 10 7.112 -7.437 -1.813 1.00 0.00 C ATOM 145 CZ TYR A 10 8.303 -7.905 -1.321 1.00 0.00 C ATOM 146 OH TYR A 10 8.708 -9.195 -1.554 1.00 0.00 O ATOM 0 H TYR A 10 8.463 -3.604 1.551 1.00 0.00 H new ATOM 0 HA TYR A 10 5.650 -3.019 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.237 -3.607 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.816 -3.155 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.374 -5.148 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.786 -5.775 -1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.044 -7.459 -0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.478 -8.083 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 10 8.591 -9.408 -2.503 1.00 0.00 H new ATOM 156 N HIS A 11 4.358 -4.899 1.315 1.00 0.00 N ATOM 157 CA HIS A 11 3.387 -6.015 1.579 1.00 0.00 C ATOM 158 C HIS A 11 2.120 -5.630 0.792 1.00 0.00 C ATOM 159 O HIS A 11 1.886 -4.469 0.468 1.00 0.00 O ATOM 160 CB HIS A 11 2.996 -6.194 3.087 1.00 0.00 C ATOM 161 CG HIS A 11 2.384 -7.605 3.178 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.046 -8.714 3.227 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.062 -8.011 3.215 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.231 -9.718 3.291 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.984 -9.324 3.285 1.00 0.00 N ATOM 0 H HIS A 11 3.917 -3.991 1.170 1.00 0.00 H new ATOM 0 HA HIS A 11 3.844 -6.959 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.868 -6.100 3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.282 -5.433 3.402 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.213 -7.344 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.542 -10.751 3.343 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.144 -9.901 3.325 1.00 0.00 H new ATOM 173 N TYR A 12 1.349 -6.650 0.533 1.00 0.00 N ATOM 174 CA TYR A 12 0.092 -6.454 -0.235 1.00 0.00 C ATOM 175 C TYR A 12 -1.068 -7.414 0.064 1.00 0.00 C ATOM 176 O TYR A 12 -0.967 -8.416 0.750 1.00 0.00 O ATOM 177 CB TYR A 12 0.469 -6.541 -1.739 1.00 0.00 C ATOM 178 CG TYR A 12 1.184 -7.897 -1.950 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.520 -8.045 -1.610 1.00 0.00 C ATOM 180 CD2 TYR A 12 0.499 -8.989 -2.446 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.151 -9.270 -1.759 1.00 0.00 C ATOM 182 CE2 TYR A 12 1.133 -10.208 -2.594 1.00 0.00 C ATOM 183 CZ TYR A 12 2.458 -10.347 -2.248 1.00 0.00 C ATOM 184 OH TYR A 12 3.091 -11.565 -2.370 1.00 0.00 O ATOM 0 H TYR A 12 1.537 -7.610 0.821 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.304 -5.486 0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.421 -6.473 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.120 -5.714 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.073 -7.200 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.541 -8.889 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.191 -9.376 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.587 -11.055 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 12 2.463 -12.225 -2.730 1.00 0.00 H new ATOM 194 N TYR A 13 -2.149 -6.999 -0.522 1.00 0.00 N ATOM 195 CA TYR A 13 -3.445 -7.742 -0.423 1.00 0.00 C ATOM 196 C TYR A 13 -3.810 -8.249 -1.847 1.00 0.00 C ATOM 197 O TYR A 13 -3.757 -7.482 -2.791 1.00 0.00 O ATOM 198 CB TYR A 13 -4.504 -6.748 0.148 1.00 0.00 C ATOM 199 CG TYR A 13 -5.010 -7.233 1.515 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.114 -7.500 2.528 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.358 -7.404 1.757 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.556 -7.932 3.763 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.800 -7.836 2.994 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.897 -8.100 4.001 1.00 0.00 C ATOM 205 OH TYR A 13 -6.307 -8.532 5.244 1.00 0.00 O ATOM 0 H TYR A 13 -2.197 -6.150 -1.085 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.394 -8.608 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.065 -5.755 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.340 -6.659 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.056 -7.370 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.073 -7.199 0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.842 -8.139 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.857 -7.967 3.172 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.284 -8.602 5.260 1.00 0.00 H new ATOM 215 N ARG A 14 -4.174 -9.507 -1.972 1.00 0.00 N ATOM 216 CA ARG A 14 -4.543 -10.075 -3.319 1.00 0.00 C ATOM 217 C ARG A 14 -6.021 -10.560 -3.448 1.00 0.00 C ATOM 218 O ARG A 14 -6.288 -11.657 -3.915 1.00 0.00 O ATOM 219 CB ARG A 14 -3.546 -11.257 -3.633 1.00 0.00 C ATOM 220 CG ARG A 14 -3.391 -12.258 -2.432 1.00 0.00 C ATOM 221 CD ARG A 14 -2.668 -13.534 -2.911 1.00 0.00 C ATOM 222 NE ARG A 14 -2.225 -14.299 -1.687 1.00 0.00 N ATOM 223 CZ ARG A 14 -1.032 -14.736 -1.556 1.00 0.00 C ATOM 224 NH1 ARG A 14 -0.180 -13.975 -1.009 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.804 -15.909 -1.989 1.00 0.00 N ATOM 0 H ARG A 14 -4.232 -10.169 -1.198 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.460 -9.265 -4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.898 -11.800 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.569 -10.845 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.827 -11.789 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.371 -12.513 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.333 -14.143 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.810 -13.277 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.899 -14.472 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.456 -13.046 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.782 -14.291 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.556 -16.450 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.131 -16.309 -1.910 1.00 0.00 H new ATOM 239 N PRO A 15 -6.974 -9.726 -3.044 1.00 0.00 N ATOM 240 CA PRO A 15 -8.423 -9.897 -3.382 1.00 0.00 C ATOM 241 C PRO A 15 -8.648 -10.600 -4.722 1.00 0.00 C ATOM 242 O PRO A 15 -9.570 -11.376 -4.886 1.00 0.00 O ATOM 243 CB PRO A 15 -8.939 -8.464 -3.293 1.00 0.00 C ATOM 244 CG PRO A 15 -8.240 -8.000 -1.996 1.00 0.00 C ATOM 245 CD PRO A 15 -6.784 -8.493 -2.214 1.00 0.00 C ATOM 0 HA PRO A 15 -8.966 -10.566 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.652 -7.865 -4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.025 -8.417 -3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.289 -6.918 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.692 -8.444 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.177 -7.748 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.286 -8.713 -1.270 1.00 0.00 H new ATOM 253 N ALA A 16 -7.782 -10.259 -5.645 1.00 0.00 N ATOM 254 CA ALA A 16 -7.773 -10.808 -7.035 1.00 0.00 C ATOM 255 C ALA A 16 -8.411 -12.213 -7.122 1.00 0.00 C ATOM 256 O ALA A 16 -9.232 -12.436 -7.992 1.00 0.00 O ATOM 257 CB ALA A 16 -6.302 -10.790 -7.473 1.00 0.00 C ATOM 0 H ALA A 16 -7.038 -9.582 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.387 -10.205 -7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.220 -11.181 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.927 -9.767 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.713 -11.410 -6.797 1.00 0.00 H new ATOM 263 N GLN A 17 -8.002 -13.091 -6.229 1.00 0.00 N ATOM 264 CA GLN A 17 -8.537 -14.502 -6.169 1.00 0.00 C ATOM 265 C GLN A 17 -10.041 -14.556 -6.588 1.00 0.00 C ATOM 266 O GLN A 17 -10.466 -15.435 -7.311 1.00 0.00 O ATOM 267 CB GLN A 17 -8.329 -15.014 -4.709 1.00 0.00 C ATOM 268 CG GLN A 17 -6.884 -15.587 -4.450 1.00 0.00 C ATOM 269 CD GLN A 17 -6.667 -16.950 -5.131 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.564 -17.735 -5.317 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.496 -17.316 -5.527 1.00 0.00 N ATOM 0 H GLN A 17 -7.300 -12.884 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.004 -15.143 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.518 -14.196 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.064 -15.790 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.143 -14.877 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.723 -15.689 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.697 -16.696 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.369 -18.226 -5.970 1.00 0.00 H new ATOM 280 N ASN A 18 -10.794 -13.592 -6.115 1.00 0.00 N ATOM 281 CA ASN A 18 -12.257 -13.477 -6.409 1.00 0.00 C ATOM 282 C ASN A 18 -12.453 -12.187 -7.276 1.00 0.00 C ATOM 283 O ASN A 18 -13.162 -11.286 -6.881 1.00 0.00 O ATOM 284 CB ASN A 18 -12.995 -13.363 -5.044 1.00 0.00 C ATOM 285 CG ASN A 18 -14.452 -13.795 -5.183 1.00 0.00 C ATOM 286 OD1 ASN A 18 -15.109 -13.580 -6.173 1.00 0.00 O ATOM 287 ND2 ASN A 18 -15.030 -14.423 -4.216 1.00 0.00 N ATOM 0 H ASN A 18 -10.438 -12.850 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.652 -14.335 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.495 -13.985 -4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.948 -12.335 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.003 -14.716 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.514 -14.627 -3.360 1.00 0.00 H new ATOM 294 N ASN A 19 -11.828 -12.099 -8.434 1.00 0.00 N ATOM 295 CA ASN A 19 -11.951 -10.877 -9.348 1.00 0.00 C ATOM 296 C ASN A 19 -11.988 -9.622 -8.438 1.00 0.00 C ATOM 297 O ASN A 19 -12.730 -8.678 -8.632 1.00 0.00 O ATOM 298 CB ASN A 19 -13.270 -11.024 -10.161 1.00 0.00 C ATOM 299 CG ASN A 19 -13.251 -10.196 -11.445 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.367 -8.990 -11.499 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.090 -10.833 -12.551 1.00 0.00 N ATOM 0 H ASN A 19 -11.222 -12.832 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.118 -10.789 -10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.427 -12.074 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.112 -10.714 -9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.063 -10.323 -13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.989 -11.848 -12.545 1.00 0.00 H new ATOM 308 N TRP A 20 -11.096 -9.708 -7.483 1.00 0.00 N ATOM 309 CA TRP A 20 -10.889 -8.680 -6.414 1.00 0.00 C ATOM 310 C TRP A 20 -12.297 -8.164 -6.020 1.00 0.00 C ATOM 311 O TRP A 20 -12.779 -7.086 -6.327 1.00 0.00 O ATOM 312 CB TRP A 20 -10.116 -7.450 -6.833 1.00 0.00 C ATOM 313 CG TRP A 20 -9.037 -7.521 -7.873 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.419 -7.776 -9.113 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.707 -7.286 -7.819 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.295 -7.682 -9.792 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.208 -7.384 -9.097 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.839 -6.967 -6.797 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.873 -7.158 -9.346 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.502 -6.742 -7.053 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.020 -6.836 -8.327 1.00 0.00 C ATOM 0 H TRP A 20 -10.462 -10.503 -7.398 1.00 0.00 H new ATOM 0 HA TRP A 20 -10.317 -9.171 -5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.846 -6.720 -7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.661 -7.039 -5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.409 -8.005 -9.479 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.263 -7.831 -10.801 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -7.209 -6.892 -5.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.496 -7.236 -10.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.834 -6.491 -6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.974 -6.658 -8.528 1.00 0.00 H new ATOM 332 N ASP A 21 -12.898 -9.051 -5.309 1.00 0.00 N ATOM 333 CA ASP A 21 -14.255 -8.853 -4.779 1.00 0.00 C ATOM 334 C ASP A 21 -14.064 -7.998 -3.529 1.00 0.00 C ATOM 335 O ASP A 21 -14.194 -8.372 -2.378 1.00 0.00 O ATOM 336 CB ASP A 21 -14.868 -10.260 -4.489 1.00 0.00 C ATOM 337 CG ASP A 21 -16.295 -10.149 -3.919 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.700 -9.033 -3.614 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.900 -11.204 -3.817 1.00 0.00 O ATOM 0 H ASP A 21 -12.483 -9.949 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.946 -8.352 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.887 -10.846 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.234 -10.796 -3.783 1.00 0.00 H new ATOM 344 N LEU A 22 -13.709 -6.784 -3.838 1.00 0.00 N ATOM 345 CA LEU A 22 -13.470 -5.736 -2.821 1.00 0.00 C ATOM 346 C LEU A 22 -14.667 -5.609 -1.868 1.00 0.00 C ATOM 347 O LEU A 22 -14.556 -4.980 -0.836 1.00 0.00 O ATOM 348 CB LEU A 22 -13.237 -4.434 -3.559 1.00 0.00 C ATOM 349 CG LEU A 22 -11.991 -4.438 -4.469 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.843 -2.958 -4.860 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.727 -4.857 -3.694 1.00 0.00 C ATOM 0 H LEU A 22 -13.570 -6.467 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.604 -5.994 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.115 -4.210 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.139 -3.629 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.100 -5.129 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.979 -2.839 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.741 -2.628 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.703 -2.357 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.869 -4.849 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.554 -4.158 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.863 -5.861 -3.292 1.00 0.00 H new ATOM 363 N GLY A 23 -15.769 -6.216 -2.244 1.00 0.00 N ATOM 364 CA GLY A 23 -17.010 -6.171 -1.407 1.00 0.00 C ATOM 365 C GLY A 23 -17.208 -7.486 -0.654 1.00 0.00 C ATOM 366 O GLY A 23 -18.314 -7.817 -0.279 1.00 0.00 O ATOM 0 H GLY A 23 -15.861 -6.749 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.945 -5.347 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.875 -5.977 -2.042 1.00 0.00 H new ATOM 370 N ALA A 24 -16.131 -8.202 -0.446 1.00 0.00 N ATOM 371 CA ALA A 24 -16.211 -9.500 0.289 1.00 0.00 C ATOM 372 C ALA A 24 -16.140 -9.223 1.832 1.00 0.00 C ATOM 373 O ALA A 24 -15.336 -8.429 2.296 1.00 0.00 O ATOM 374 CB ALA A 24 -15.026 -10.387 -0.212 1.00 0.00 C ATOM 0 H ALA A 24 -15.195 -7.941 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.149 -10.023 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.048 -11.348 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.121 -10.548 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.082 -9.885 -0.002 1.00 0.00 H new ATOM 380 N PRO A 25 -17.006 -9.889 2.580 1.00 0.00 N ATOM 381 CA PRO A 25 -17.240 -9.627 4.040 1.00 0.00 C ATOM 382 C PRO A 25 -15.988 -9.337 4.892 1.00 0.00 C ATOM 383 O PRO A 25 -15.978 -8.449 5.717 1.00 0.00 O ATOM 384 CB PRO A 25 -18.000 -10.863 4.573 1.00 0.00 C ATOM 385 CG PRO A 25 -18.176 -11.823 3.364 1.00 0.00 C ATOM 386 CD PRO A 25 -17.871 -11.007 2.094 1.00 0.00 C ATOM 0 HA PRO A 25 -17.803 -8.698 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.442 -11.346 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.967 -10.576 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.501 -12.675 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.190 -12.222 3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.359 -11.611 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -18.784 -10.633 1.631 1.00 0.00 H new ATOM 394 N ALA A 26 -14.964 -10.110 4.655 1.00 0.00 N ATOM 395 CA ALA A 26 -13.671 -9.969 5.405 1.00 0.00 C ATOM 396 C ALA A 26 -12.666 -8.989 4.749 1.00 0.00 C ATOM 397 O ALA A 26 -11.486 -9.006 5.046 1.00 0.00 O ATOM 398 CB ALA A 26 -13.081 -11.395 5.508 1.00 0.00 C ATOM 0 H ALA A 26 -14.964 -10.853 3.957 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.864 -9.531 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.134 -11.359 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.778 -12.040 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.914 -11.793 4.507 1.00 0.00 H new ATOM 404 N VAL A 27 -13.165 -8.167 3.872 1.00 0.00 N ATOM 405 CA VAL A 27 -12.291 -7.177 3.166 1.00 0.00 C ATOM 406 C VAL A 27 -12.842 -5.756 3.104 1.00 0.00 C ATOM 407 O VAL A 27 -12.268 -4.803 3.588 1.00 0.00 O ATOM 408 CB VAL A 27 -12.079 -7.633 1.731 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.986 -6.790 1.054 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.631 -9.114 1.693 1.00 0.00 C ATOM 0 H VAL A 27 -14.150 -8.134 3.608 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.372 -7.143 3.751 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.026 -7.513 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.848 -7.130 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.284 -5.742 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.050 -6.900 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.484 -9.423 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.696 -9.225 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.397 -9.738 2.153 1.00 0.00 H new ATOM 420 N SER A 28 -13.989 -5.731 2.486 1.00 0.00 N ATOM 421 CA SER A 28 -14.773 -4.486 2.236 1.00 0.00 C ATOM 422 C SER A 28 -13.830 -3.264 1.985 1.00 0.00 C ATOM 423 O SER A 28 -13.532 -2.517 2.899 1.00 0.00 O ATOM 424 CB SER A 28 -15.695 -4.245 3.465 1.00 0.00 C ATOM 425 OG SER A 28 -14.824 -3.992 4.570 1.00 0.00 O ATOM 0 H SER A 28 -14.439 -6.571 2.124 1.00 0.00 H new ATOM 0 HA SER A 28 -15.377 -4.601 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.361 -3.400 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.325 -5.114 3.656 1.00 0.00 H new ATOM 0 HG SER A 28 -13.983 -3.610 4.243 1.00 0.00 H new ATOM 431 N ALA A 29 -13.397 -3.077 0.768 1.00 0.00 N ATOM 432 CA ALA A 29 -12.468 -1.930 0.484 1.00 0.00 C ATOM 433 C ALA A 29 -13.015 -0.537 0.107 1.00 0.00 C ATOM 434 O ALA A 29 -14.055 -0.401 -0.514 1.00 0.00 O ATOM 435 CB ALA A 29 -11.558 -2.489 -0.573 1.00 0.00 C ATOM 0 H ALA A 29 -13.638 -3.656 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.011 -1.640 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.829 -1.732 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.038 -3.363 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.146 -2.778 -1.444 1.00 0.00 H new ATOM 441 N TYR A 30 -12.241 0.459 0.493 1.00 0.00 N ATOM 442 CA TYR A 30 -12.610 1.891 0.237 1.00 0.00 C ATOM 443 C TYR A 30 -13.433 2.438 -0.896 1.00 0.00 C ATOM 444 O TYR A 30 -14.519 2.944 -0.677 1.00 0.00 O ATOM 445 CB TYR A 30 -11.329 2.793 0.227 1.00 0.00 C ATOM 446 CG TYR A 30 -11.381 3.891 1.311 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.438 4.790 1.222 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.449 4.071 2.308 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.564 5.843 2.099 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.583 5.141 3.195 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.643 6.027 3.092 1.00 0.00 C ATOM 452 OH TYR A 30 -11.792 7.092 3.954 1.00 0.00 O ATOM 0 H TYR A 30 -11.355 0.334 0.983 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.328 1.911 1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.448 2.171 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.221 3.257 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.178 4.659 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.618 3.388 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.394 6.527 2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.848 5.280 3.974 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.060 7.090 4.606 1.00 0.00 H new ATOM 462 N CYS A 31 -12.896 2.311 -2.067 1.00 0.00 N ATOM 463 CA CYS A 31 -13.635 2.857 -3.210 1.00 0.00 C ATOM 464 C CYS A 31 -14.222 1.781 -4.113 1.00 0.00 C ATOM 465 O CYS A 31 -14.465 2.009 -5.284 1.00 0.00 O ATOM 466 CB CYS A 31 -12.570 3.867 -3.836 1.00 0.00 C ATOM 467 SG CYS A 31 -12.269 5.356 -2.821 1.00 0.00 S ATOM 0 H CYS A 31 -12.002 1.865 -2.274 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.559 3.382 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.626 3.341 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.915 4.176 -4.823 1.00 0.00 H new ATOM 472 N ALA A 32 -14.458 0.618 -3.525 1.00 0.00 N ATOM 473 CA ALA A 32 -15.050 -0.524 -4.313 1.00 0.00 C ATOM 474 C ALA A 32 -16.210 -0.011 -5.196 1.00 0.00 C ATOM 475 O ALA A 32 -16.292 -0.264 -6.381 1.00 0.00 O ATOM 476 CB ALA A 32 -15.551 -1.574 -3.311 1.00 0.00 C ATOM 0 H ALA A 32 -14.268 0.414 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.303 -0.966 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.986 -2.415 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.716 -1.925 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.307 -1.128 -2.665 1.00 0.00 H new ATOM 482 N THR A 33 -17.059 0.695 -4.498 1.00 0.00 N ATOM 483 CA THR A 33 -18.310 1.371 -4.983 1.00 0.00 C ATOM 484 C THR A 33 -18.138 2.168 -6.271 1.00 0.00 C ATOM 485 O THR A 33 -19.081 2.401 -7.000 1.00 0.00 O ATOM 486 CB THR A 33 -18.779 2.319 -3.890 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.684 1.537 -2.712 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.275 2.608 -3.974 1.00 0.00 C ATOM 0 H THR A 33 -16.916 0.845 -3.499 1.00 0.00 H new ATOM 0 HA THR A 33 -19.030 0.584 -5.205 1.00 0.00 H new ATOM 0 HB THR A 33 -18.210 3.247 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.968 2.071 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.560 3.289 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.504 3.065 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.832 1.676 -3.873 1.00 0.00 H new ATOM 496 N TRP A 34 -16.909 2.556 -6.480 1.00 0.00 N ATOM 497 CA TRP A 34 -16.492 3.363 -7.663 1.00 0.00 C ATOM 498 C TRP A 34 -15.566 2.669 -8.687 1.00 0.00 C ATOM 499 O TRP A 34 -15.813 2.803 -9.870 1.00 0.00 O ATOM 500 CB TRP A 34 -15.869 4.635 -7.022 1.00 0.00 C ATOM 501 CG TRP A 34 -16.994 5.318 -6.229 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.193 5.713 -6.743 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.969 5.594 -4.916 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.816 6.201 -5.684 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.153 6.170 -4.536 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.965 5.376 -4.004 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.335 6.526 -3.218 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.139 5.733 -2.676 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.331 6.309 -2.288 1.00 0.00 C ATOM 0 H TRP A 34 -16.141 2.334 -5.847 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.347 3.567 -8.307 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.037 4.373 -6.368 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.474 5.302 -7.788 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -18.546 5.644 -7.761 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.760 6.582 -5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.037 4.925 -4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.266 6.977 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.353 5.563 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.482 6.592 -1.257 1.00 0.00 H new ATOM 520 N ASP A 35 -14.554 1.955 -8.254 1.00 0.00 N ATOM 521 CA ASP A 35 -13.607 1.257 -9.214 1.00 0.00 C ATOM 522 C ASP A 35 -13.940 -0.240 -9.568 1.00 0.00 C ATOM 523 O ASP A 35 -13.736 -0.661 -10.691 1.00 0.00 O ATOM 524 CB ASP A 35 -12.170 1.357 -8.592 1.00 0.00 C ATOM 525 CG ASP A 35 -11.564 2.780 -8.509 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.950 3.474 -7.585 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.736 3.104 -9.362 1.00 0.00 O ATOM 0 H ASP A 35 -14.333 1.818 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.703 1.767 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.201 0.937 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.497 0.731 -9.178 1.00 0.00 H new ATOM 532 N ALA A 36 -14.440 -0.998 -8.615 1.00 0.00 N ATOM 533 CA ALA A 36 -14.815 -2.462 -8.791 1.00 0.00 C ATOM 534 C ALA A 36 -15.564 -2.855 -10.090 1.00 0.00 C ATOM 535 O ALA A 36 -15.645 -4.014 -10.457 1.00 0.00 O ATOM 536 CB ALA A 36 -15.660 -2.862 -7.582 1.00 0.00 C ATOM 0 H ALA A 36 -14.615 -0.650 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.869 -2.997 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.950 -3.909 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.079 -2.723 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.554 -2.240 -7.541 1.00 0.00 H new ATOM 542 N SER A 37 -16.074 -1.829 -10.713 1.00 0.00 N ATOM 543 CA SER A 37 -16.858 -1.865 -11.991 1.00 0.00 C ATOM 544 C SER A 37 -15.953 -1.918 -13.238 1.00 0.00 C ATOM 545 O SER A 37 -16.371 -2.400 -14.273 1.00 0.00 O ATOM 546 CB SER A 37 -17.739 -0.607 -12.022 1.00 0.00 C ATOM 547 OG SER A 37 -16.769 0.439 -11.933 1.00 0.00 O ATOM 0 H SER A 37 -15.968 -0.880 -10.353 1.00 0.00 H new ATOM 0 HA SER A 37 -17.460 -2.773 -12.017 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.325 -0.542 -12.939 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.443 -0.582 -11.190 1.00 0.00 H new ATOM 0 HG SER A 37 -17.223 1.308 -11.946 1.00 0.00 H new ATOM 553 N LYS A 38 -14.741 -1.429 -13.148 1.00 0.00 N ATOM 554 CA LYS A 38 -13.837 -1.476 -14.340 1.00 0.00 C ATOM 555 C LYS A 38 -13.421 -2.950 -14.580 1.00 0.00 C ATOM 556 O LYS A 38 -13.207 -3.705 -13.643 1.00 0.00 O ATOM 557 CB LYS A 38 -12.559 -0.612 -14.085 1.00 0.00 C ATOM 558 CG LYS A 38 -12.860 0.893 -14.236 1.00 0.00 C ATOM 559 CD LYS A 38 -12.860 1.311 -15.749 1.00 0.00 C ATOM 560 CE LYS A 38 -13.245 2.788 -15.817 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.682 2.876 -15.406 1.00 0.00 N ATOM 0 H LYS A 38 -14.341 -1.004 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.358 -1.079 -15.211 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.178 -0.810 -13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.776 -0.901 -14.787 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.828 1.122 -13.791 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.114 1.474 -13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.877 1.150 -16.191 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.567 0.704 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.616 3.383 -15.155 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.106 3.178 -16.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.217 3.404 -16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.077 1.918 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.752 3.367 -14.492 1.00 0.00 H new ATOM 575 N PRO A 39 -13.306 -3.320 -15.836 1.00 0.00 N ATOM 576 CA PRO A 39 -12.987 -4.728 -16.228 1.00 0.00 C ATOM 577 C PRO A 39 -11.748 -5.358 -15.521 1.00 0.00 C ATOM 578 O PRO A 39 -11.161 -4.802 -14.614 1.00 0.00 O ATOM 579 CB PRO A 39 -12.883 -4.619 -17.776 1.00 0.00 C ATOM 580 CG PRO A 39 -12.509 -3.134 -18.001 1.00 0.00 C ATOM 581 CD PRO A 39 -13.448 -2.433 -17.029 1.00 0.00 C ATOM 0 HA PRO A 39 -13.746 -5.439 -15.900 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.124 -5.291 -18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.824 -4.875 -18.262 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.461 -2.936 -17.774 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.677 -2.820 -19.031 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.143 -1.407 -16.823 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.473 -2.393 -17.397 1.00 0.00 H new ATOM 589 N LEU A 40 -11.372 -6.533 -15.949 1.00 0.00 N ATOM 590 CA LEU A 40 -10.188 -7.220 -15.327 1.00 0.00 C ATOM 591 C LEU A 40 -8.831 -6.665 -15.807 1.00 0.00 C ATOM 592 O LEU A 40 -8.030 -6.256 -14.986 1.00 0.00 O ATOM 593 CB LEU A 40 -10.315 -8.717 -15.657 1.00 0.00 C ATOM 594 CG LEU A 40 -10.830 -9.544 -14.459 1.00 0.00 C ATOM 595 CD1 LEU A 40 -11.143 -10.955 -14.994 1.00 0.00 C ATOM 596 CD2 LEU A 40 -9.707 -9.714 -13.407 1.00 0.00 C ATOM 0 H LEU A 40 -11.828 -7.051 -16.700 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.199 -7.041 -14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.994 -8.844 -16.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.344 -9.101 -15.969 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.693 -9.050 -14.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.512 -11.579 -14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.902 -10.889 -15.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.236 -11.397 -15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.081 -10.299 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.860 -10.230 -13.859 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.388 -8.733 -13.053 1.00 0.00 H new ATOM 608 N SER A 41 -8.609 -6.671 -17.101 1.00 0.00 N ATOM 609 CA SER A 41 -7.315 -6.145 -17.664 1.00 0.00 C ATOM 610 C SER A 41 -6.839 -4.864 -16.967 1.00 0.00 C ATOM 611 O SER A 41 -5.875 -4.909 -16.222 1.00 0.00 O ATOM 612 CB SER A 41 -7.494 -5.873 -19.171 1.00 0.00 C ATOM 613 OG SER A 41 -6.289 -5.186 -19.506 1.00 0.00 O ATOM 0 H SER A 41 -9.269 -7.018 -17.797 1.00 0.00 H new ATOM 0 HA SER A 41 -6.552 -6.905 -17.493 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.606 -6.796 -19.739 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.377 -5.266 -19.372 1.00 0.00 H new ATOM 0 HG SER A 41 -6.295 -4.962 -20.460 1.00 0.00 H new ATOM 619 N TRP A 42 -7.543 -3.780 -17.220 1.00 0.00 N ATOM 620 CA TRP A 42 -7.186 -2.450 -16.606 1.00 0.00 C ATOM 621 C TRP A 42 -6.985 -2.587 -15.106 1.00 0.00 C ATOM 622 O TRP A 42 -5.924 -2.250 -14.622 1.00 0.00 O ATOM 623 CB TRP A 42 -8.314 -1.423 -16.879 1.00 0.00 C ATOM 624 CG TRP A 42 -7.937 0.040 -16.493 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.039 0.785 -17.199 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.433 0.824 -15.486 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.050 1.948 -16.600 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.850 2.075 -15.568 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.335 0.614 -14.462 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.149 3.087 -14.690 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.637 1.630 -13.568 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.051 2.870 -13.678 1.00 0.00 C ATOM 0 H TRP A 42 -8.359 -3.758 -17.832 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.256 -2.104 -17.057 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.574 -1.455 -17.937 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.204 -1.718 -16.323 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.454 0.484 -18.055 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.464 2.719 -16.920 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.810 -0.350 -14.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.676 4.052 -14.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.344 1.445 -12.772 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.296 3.658 -12.981 1.00 0.00 H new ATOM 643 N ARG A 43 -8.003 -3.073 -14.440 1.00 0.00 N ATOM 644 CA ARG A 43 -7.941 -3.258 -12.961 1.00 0.00 C ATOM 645 C ARG A 43 -6.626 -3.862 -12.418 1.00 0.00 C ATOM 646 O ARG A 43 -6.059 -3.295 -11.508 1.00 0.00 O ATOM 647 CB ARG A 43 -9.129 -4.139 -12.547 1.00 0.00 C ATOM 648 CG ARG A 43 -9.127 -4.167 -11.012 1.00 0.00 C ATOM 649 CD ARG A 43 -10.010 -5.231 -10.453 1.00 0.00 C ATOM 650 NE ARG A 43 -11.410 -4.991 -10.905 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.148 -5.980 -11.204 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.456 -6.825 -10.315 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.542 -6.061 -12.399 1.00 0.00 N ATOM 0 H ARG A 43 -8.886 -3.353 -14.867 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.983 -2.261 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.066 -3.733 -12.928 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.029 -5.145 -12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.108 -4.323 -10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.451 -3.197 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.671 -6.213 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.961 -5.227 -9.364 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.772 -4.040 -10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.112 -6.711 -9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.049 -7.621 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.266 -5.350 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.137 -6.837 -12.688 1.00 0.00 H new ATOM 667 N SER A 44 -6.166 -4.977 -12.934 1.00 0.00 N ATOM 668 CA SER A 44 -4.869 -5.520 -12.363 1.00 0.00 C ATOM 669 C SER A 44 -3.713 -4.676 -12.925 1.00 0.00 C ATOM 670 O SER A 44 -2.815 -4.293 -12.198 1.00 0.00 O ATOM 671 CB SER A 44 -4.625 -6.990 -12.780 1.00 0.00 C ATOM 672 OG SER A 44 -4.266 -6.939 -14.159 1.00 0.00 O ATOM 0 H SER A 44 -6.596 -5.518 -13.685 1.00 0.00 H new ATOM 0 HA SER A 44 -4.928 -5.473 -11.276 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.831 -7.441 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.519 -7.595 -12.629 1.00 0.00 H new ATOM 0 HG SER A 44 -4.095 -7.847 -14.486 1.00 0.00 H new ATOM 678 N LYS A 45 -3.780 -4.415 -14.211 1.00 0.00 N ATOM 679 CA LYS A 45 -2.731 -3.606 -14.919 1.00 0.00 C ATOM 680 C LYS A 45 -2.252 -2.335 -14.174 1.00 0.00 C ATOM 681 O LYS A 45 -1.150 -2.249 -13.665 1.00 0.00 O ATOM 682 CB LYS A 45 -3.317 -3.245 -16.332 1.00 0.00 C ATOM 683 CG LYS A 45 -2.330 -2.331 -17.105 1.00 0.00 C ATOM 684 CD LYS A 45 -2.919 -1.972 -18.517 1.00 0.00 C ATOM 685 CE LYS A 45 -2.409 -0.584 -18.991 1.00 0.00 C ATOM 686 NZ LYS A 45 -0.911 -0.612 -19.018 1.00 0.00 N ATOM 0 H LYS A 45 -4.537 -4.737 -14.815 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.828 -4.212 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.501 -4.156 -16.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.277 -2.741 -16.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.146 -1.419 -16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.370 -2.834 -17.220 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.633 -2.736 -19.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.008 -1.968 -18.471 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.802 -0.354 -19.982 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.761 0.199 -18.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.559 0.190 -19.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.545 -0.543 -18.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.588 -1.502 -19.448 1.00 0.00 H new ATOM 700 N TYR A 46 -3.151 -1.401 -14.166 1.00 0.00 N ATOM 701 CA TYR A 46 -2.982 -0.058 -13.539 1.00 0.00 C ATOM 702 C TYR A 46 -4.401 0.178 -13.038 1.00 0.00 C ATOM 703 O TYR A 46 -5.069 -0.716 -12.569 1.00 0.00 O ATOM 704 CB TYR A 46 -2.484 0.910 -14.689 1.00 0.00 C ATOM 705 CG TYR A 46 -1.121 1.593 -14.496 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.043 2.740 -13.736 1.00 0.00 C ATOM 707 CD2 TYR A 46 0.029 1.114 -15.092 1.00 0.00 C ATOM 708 CE1 TYR A 46 0.148 3.411 -13.569 1.00 0.00 C ATOM 709 CE2 TYR A 46 1.228 1.776 -14.930 1.00 0.00 C ATOM 710 CZ TYR A 46 1.304 2.926 -14.174 1.00 0.00 C ATOM 711 OH TYR A 46 2.542 3.526 -14.068 1.00 0.00 O ATOM 0 H TYR A 46 -4.065 -1.522 -14.601 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.261 0.074 -12.732 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.447 0.340 -15.617 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.235 1.688 -14.823 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.935 3.121 -13.261 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.011 0.215 -15.689 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.185 4.310 -12.971 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.119 1.388 -15.402 1.00 0.00 H new ATOM 0 HH TYR A 46 3.201 3.007 -14.575 1.00 0.00 H new ATOM 721 N GLY A 47 -4.829 1.385 -13.139 1.00 0.00 N ATOM 722 CA GLY A 47 -6.208 1.777 -12.706 1.00 0.00 C ATOM 723 C GLY A 47 -6.636 1.322 -11.320 1.00 0.00 C ATOM 724 O GLY A 47 -7.795 1.471 -10.986 1.00 0.00 O ATOM 0 H GLY A 47 -4.274 2.154 -13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.283 2.864 -12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.919 1.381 -13.431 1.00 0.00 H new ATOM 728 N TRP A 48 -5.724 0.813 -10.526 1.00 0.00 N ATOM 729 CA TRP A 48 -6.065 0.357 -9.204 1.00 0.00 C ATOM 730 C TRP A 48 -4.867 -0.342 -8.680 1.00 0.00 C ATOM 731 O TRP A 48 -4.207 -1.097 -9.365 1.00 0.00 O ATOM 732 CB TRP A 48 -7.256 -0.665 -9.239 1.00 0.00 C ATOM 733 CG TRP A 48 -7.130 -1.937 -8.360 1.00 0.00 C ATOM 734 CD1 TRP A 48 -6.016 -2.528 -7.814 1.00 0.00 C ATOM 735 CD2 TRP A 48 -8.218 -2.653 -8.008 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.530 -3.539 -7.184 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.838 -3.705 -7.233 1.00 0.00 C ATOM 738 CE3 TRP A 48 -9.558 -2.479 -8.308 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.784 -4.574 -6.756 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -10.509 -3.360 -7.832 1.00 0.00 C ATOM 741 CH2 TRP A 48 -10.118 -4.416 -7.047 1.00 0.00 C ATOM 0 H TRP A 48 -4.741 0.705 -10.774 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.366 1.204 -8.587 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.162 -0.137 -8.940 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.398 -0.982 -10.272 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.981 -2.229 -7.890 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.939 -4.188 -6.665 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.863 -1.644 -8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.474 -5.403 -6.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.552 -3.219 -8.075 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.848 -5.113 -6.663 1.00 0.00 H new ATOM 752 N THR A 49 -4.672 0.023 -7.460 1.00 0.00 N ATOM 753 CA THR A 49 -3.641 -0.451 -6.496 1.00 0.00 C ATOM 754 C THR A 49 -4.151 -0.090 -5.107 1.00 0.00 C ATOM 755 O THR A 49 -4.956 0.821 -4.954 1.00 0.00 O ATOM 756 CB THR A 49 -2.286 0.167 -6.727 1.00 0.00 C ATOM 757 OG1 THR A 49 -2.534 1.552 -6.889 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.812 -0.434 -8.069 1.00 0.00 C ATOM 0 H THR A 49 -5.271 0.730 -7.034 1.00 0.00 H new ATOM 0 HA THR A 49 -3.498 -1.525 -6.620 1.00 0.00 H new ATOM 0 HB THR A 49 -1.555 -0.003 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.475 1.741 -6.692 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.828 -0.037 -8.318 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.755 -1.519 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.519 -0.170 -8.856 1.00 0.00 H new ATOM 766 N ALA A 50 -3.690 -0.770 -4.091 1.00 0.00 N ATOM 767 CA ALA A 50 -4.268 -0.322 -2.713 1.00 0.00 C ATOM 768 C ALA A 50 -3.217 0.500 -2.059 1.00 0.00 C ATOM 769 O ALA A 50 -2.183 0.592 -2.672 1.00 0.00 O ATOM 770 CB ALA A 50 -4.611 -1.490 -1.695 1.00 0.00 C ATOM 0 H ALA A 50 -3.016 -1.536 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.206 0.190 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.005 -1.064 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.357 -2.151 -2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.707 -2.058 -1.475 1.00 0.00 H new ATOM 776 N PHE A 51 -3.452 1.074 -0.910 1.00 0.00 N ATOM 777 CA PHE A 51 -2.382 1.889 -0.279 1.00 0.00 C ATOM 778 C PHE A 51 -2.125 1.736 1.311 1.00 0.00 C ATOM 779 O PHE A 51 -3.029 1.638 2.125 1.00 0.00 O ATOM 780 CB PHE A 51 -2.750 3.442 -0.772 1.00 0.00 C ATOM 781 CG PHE A 51 -2.635 4.311 0.514 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.654 4.311 1.446 1.00 0.00 C ATOM 783 CD2 PHE A 51 -1.515 5.083 0.774 1.00 0.00 C ATOM 784 CE1 PHE A 51 -3.549 5.062 2.606 1.00 0.00 C ATOM 785 CE2 PHE A 51 -1.410 5.832 1.927 1.00 0.00 C ATOM 786 CZ PHE A 51 -2.428 5.822 2.847 1.00 0.00 C ATOM 0 H PHE A 51 -4.327 1.014 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.406 1.531 -0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.060 3.785 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.753 3.494 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.541 3.720 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.706 5.099 0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.354 5.050 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.526 6.427 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.350 6.406 3.752 1.00 0.00 H new ATOM 796 N CYS A 52 -0.862 1.717 1.683 1.00 0.00 N ATOM 797 CA CYS A 52 -0.410 1.598 3.131 1.00 0.00 C ATOM 798 C CYS A 52 1.054 2.087 3.409 1.00 0.00 C ATOM 799 O CYS A 52 1.932 1.341 3.806 1.00 0.00 O ATOM 800 CB CYS A 52 -0.592 0.097 3.615 1.00 0.00 C ATOM 801 SG CYS A 52 -0.329 -1.266 2.466 1.00 0.00 S ATOM 0 H CYS A 52 -0.089 1.781 1.021 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.045 2.274 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.084 -0.055 4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.607 0.003 4.001 1.00 0.00 H new ATOM 806 N GLY A 53 1.284 3.357 3.194 1.00 0.00 N ATOM 807 CA GLY A 53 2.663 3.912 3.434 1.00 0.00 C ATOM 808 C GLY A 53 2.633 4.994 4.527 1.00 0.00 C ATOM 809 O GLY A 53 1.620 5.637 4.713 1.00 0.00 O ATOM 0 H GLY A 53 0.591 4.031 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.337 3.108 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.056 4.334 2.509 1.00 0.00 H new ATOM 813 N PRO A 54 3.736 5.191 5.224 1.00 0.00 N ATOM 814 CA PRO A 54 3.787 6.075 6.435 1.00 0.00 C ATOM 815 C PRO A 54 3.341 7.533 6.209 1.00 0.00 C ATOM 816 O PRO A 54 2.437 8.011 6.863 1.00 0.00 O ATOM 817 CB PRO A 54 5.244 5.941 6.901 1.00 0.00 C ATOM 818 CG PRO A 54 5.993 5.655 5.561 1.00 0.00 C ATOM 819 CD PRO A 54 5.074 4.601 4.926 1.00 0.00 C ATOM 0 HA PRO A 54 3.063 5.763 7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.603 6.851 7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.369 5.130 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.085 6.548 4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.002 5.276 5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.249 4.489 3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.202 3.616 5.374 1.00 0.00 H new ATOM 827 N ALA A 55 3.978 8.212 5.293 1.00 0.00 N ATOM 828 CA ALA A 55 3.619 9.636 5.003 1.00 0.00 C ATOM 829 C ALA A 55 2.853 9.667 3.672 1.00 0.00 C ATOM 830 O ALA A 55 3.024 8.804 2.832 1.00 0.00 O ATOM 831 CB ALA A 55 4.926 10.461 4.912 1.00 0.00 C ATOM 0 H ALA A 55 4.740 7.839 4.726 1.00 0.00 H new ATOM 0 HA ALA A 55 2.992 10.062 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.685 11.503 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.463 10.397 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.552 10.064 4.112 1.00 0.00 H new ATOM 837 N GLY A 56 2.052 10.687 3.518 1.00 0.00 N ATOM 838 CA GLY A 56 1.230 10.842 2.268 1.00 0.00 C ATOM 839 C GLY A 56 -0.206 11.309 2.588 1.00 0.00 C ATOM 840 O GLY A 56 -1.111 10.503 2.714 1.00 0.00 O ATOM 0 H GLY A 56 1.926 11.429 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.708 11.562 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.194 9.892 1.735 1.00 0.00 H new ATOM 844 N PRO A 57 -0.377 12.611 2.724 1.00 0.00 N ATOM 845 CA PRO A 57 -1.690 13.184 3.135 1.00 0.00 C ATOM 846 C PRO A 57 -2.727 12.989 2.010 1.00 0.00 C ATOM 847 O PRO A 57 -2.784 13.708 1.034 1.00 0.00 O ATOM 848 CB PRO A 57 -1.375 14.663 3.459 1.00 0.00 C ATOM 849 CG PRO A 57 0.002 14.984 2.800 1.00 0.00 C ATOM 850 CD PRO A 57 0.683 13.639 2.490 1.00 0.00 C ATOM 0 HA PRO A 57 -2.139 12.699 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.153 15.319 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.335 14.823 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.134 15.565 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.619 15.582 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.045 13.607 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.544 13.473 3.137 1.00 0.00 H new ATOM 858 N ARG A 58 -3.526 11.985 2.207 1.00 0.00 N ATOM 859 CA ARG A 58 -4.600 11.632 1.219 1.00 0.00 C ATOM 860 C ARG A 58 -5.771 10.878 1.910 1.00 0.00 C ATOM 861 O ARG A 58 -5.803 10.846 3.121 1.00 0.00 O ATOM 862 CB ARG A 58 -3.743 10.876 0.138 1.00 0.00 C ATOM 863 CG ARG A 58 -4.145 9.445 -0.201 1.00 0.00 C ATOM 864 CD ARG A 58 -3.824 8.503 0.955 1.00 0.00 C ATOM 865 NE ARG A 58 -5.141 8.245 1.629 1.00 0.00 N ATOM 866 CZ ARG A 58 -5.267 7.947 2.857 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.803 8.698 3.767 1.00 0.00 N ATOM 868 NH2 ARG A 58 -5.885 6.878 3.082 1.00 0.00 N ATOM 0 H ARG A 58 -3.487 11.376 3.024 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.163 12.443 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.770 11.460 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.707 10.863 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.211 9.405 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.620 9.118 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.377 7.576 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.110 8.954 1.644 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.988 8.313 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.318 9.560 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.915 8.440 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.242 6.322 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.030 6.565 4.042 1.00 0.00 H new ATOM 882 N GLY A 59 -6.708 10.297 1.201 1.00 0.00 N ATOM 883 CA GLY A 59 -7.853 9.551 1.882 1.00 0.00 C ATOM 884 C GLY A 59 -9.223 9.865 1.329 1.00 0.00 C ATOM 885 O GLY A 59 -9.826 8.992 0.745 1.00 0.00 O ATOM 0 H GLY A 59 -6.744 10.298 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.676 8.479 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.842 9.788 2.946 1.00 0.00 H new ATOM 889 N GLN A 60 -9.662 11.079 1.517 1.00 0.00 N ATOM 890 CA GLN A 60 -11.017 11.456 0.992 1.00 0.00 C ATOM 891 C GLN A 60 -10.964 11.428 -0.557 1.00 0.00 C ATOM 892 O GLN A 60 -11.732 10.737 -1.189 1.00 0.00 O ATOM 893 CB GLN A 60 -11.369 12.875 1.538 1.00 0.00 C ATOM 894 CG GLN A 60 -11.395 12.875 3.109 1.00 0.00 C ATOM 895 CD GLN A 60 -11.658 14.285 3.663 1.00 0.00 C ATOM 896 OE1 GLN A 60 -10.996 15.245 3.343 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.613 14.485 4.513 1.00 0.00 N ATOM 0 H GLN A 60 -9.156 11.820 2.002 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.790 10.760 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.637 13.599 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.340 13.188 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.169 12.193 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.444 12.503 3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.199 13.706 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.780 15.421 4.882 1.00 0.00 H new ATOM 906 N ALA A 61 -10.053 12.180 -1.116 1.00 0.00 N ATOM 907 CA ALA A 61 -9.897 12.236 -2.604 1.00 0.00 C ATOM 908 C ALA A 61 -8.900 11.174 -3.170 1.00 0.00 C ATOM 909 O ALA A 61 -9.260 10.298 -3.936 1.00 0.00 O ATOM 910 CB ALA A 61 -9.446 13.675 -2.920 1.00 0.00 C ATOM 0 H ALA A 61 -9.399 12.768 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.840 11.988 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.312 13.786 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.204 14.378 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.503 13.880 -2.414 1.00 0.00 H new ATOM 916 N ALA A 62 -7.654 11.251 -2.784 1.00 0.00 N ATOM 917 CA ALA A 62 -6.648 10.258 -3.305 1.00 0.00 C ATOM 918 C ALA A 62 -6.620 8.886 -2.630 1.00 0.00 C ATOM 919 O ALA A 62 -5.520 8.396 -2.397 1.00 0.00 O ATOM 920 CB ALA A 62 -5.280 10.884 -3.173 1.00 0.00 C ATOM 0 H ALA A 62 -7.285 11.948 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.949 10.051 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.525 10.190 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.243 11.804 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.083 11.110 -2.125 1.00 0.00 H new ATOM 926 N CYS A 63 -7.816 8.382 -2.377 1.00 0.00 N ATOM 927 CA CYS A 63 -8.178 7.060 -1.720 1.00 0.00 C ATOM 928 C CYS A 63 -7.040 6.027 -1.617 1.00 0.00 C ATOM 929 O CYS A 63 -7.156 4.856 -1.906 1.00 0.00 O ATOM 930 CB CYS A 63 -9.433 6.556 -2.551 1.00 0.00 C ATOM 931 SG CYS A 63 -10.451 5.175 -1.950 1.00 0.00 S ATOM 0 H CYS A 63 -8.655 8.902 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.400 7.201 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.097 7.411 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.072 6.281 -3.542 1.00 0.00 H new ATOM 936 N GLY A 64 -5.947 6.590 -1.183 1.00 0.00 N ATOM 937 CA GLY A 64 -4.641 5.956 -0.960 1.00 0.00 C ATOM 938 C GLY A 64 -3.286 6.173 -1.813 1.00 0.00 C ATOM 939 O GLY A 64 -2.269 6.562 -1.294 1.00 0.00 O ATOM 0 H GLY A 64 -5.926 7.583 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.375 6.200 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.833 4.884 -0.994 1.00 0.00 H new ATOM 943 N LYS A 65 -3.315 5.963 -3.094 1.00 0.00 N ATOM 944 CA LYS A 65 -2.120 6.036 -4.074 1.00 0.00 C ATOM 945 C LYS A 65 -1.993 6.209 -5.642 1.00 0.00 C ATOM 946 O LYS A 65 -2.160 5.185 -6.264 1.00 0.00 O ATOM 947 CB LYS A 65 -1.157 4.816 -3.929 1.00 0.00 C ATOM 948 CG LYS A 65 -0.228 4.721 -2.732 1.00 0.00 C ATOM 949 CD LYS A 65 0.348 3.296 -2.596 1.00 0.00 C ATOM 950 CE LYS A 65 1.080 2.802 -3.863 1.00 0.00 C ATOM 951 NZ LYS A 65 1.575 1.423 -3.546 1.00 0.00 N ATOM 0 H LYS A 65 -4.184 5.720 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.014 7.054 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.771 3.916 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.536 4.785 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.586 5.438 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.769 4.987 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.040 3.271 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.463 2.606 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.408 2.787 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.907 3.464 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.610 1.394 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.314 1.176 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.145 0.740 -4.202 1.00 0.00 H new ATOM 965 N CYS A 66 -1.752 7.284 -6.343 1.00 0.00 N ATOM 966 CA CYS A 66 -1.617 7.154 -7.824 1.00 0.00 C ATOM 967 C CYS A 66 -0.177 7.628 -7.587 1.00 0.00 C ATOM 968 O CYS A 66 0.334 8.612 -8.065 1.00 0.00 O ATOM 969 CB CYS A 66 -2.467 8.114 -8.626 1.00 0.00 C ATOM 970 SG CYS A 66 -3.737 7.130 -9.444 1.00 0.00 S ATOM 0 H CYS A 66 -1.645 8.226 -5.967 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.870 6.244 -8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.918 8.865 -7.977 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.861 8.648 -9.358 1.00 0.00 H new ATOM 975 N LEU A 67 0.507 6.830 -6.817 1.00 0.00 N ATOM 976 CA LEU A 67 1.891 7.260 -6.492 1.00 0.00 C ATOM 977 C LEU A 67 2.819 6.787 -7.557 1.00 0.00 C ATOM 978 O LEU A 67 2.686 5.680 -8.044 1.00 0.00 O ATOM 979 CB LEU A 67 2.301 6.678 -5.099 1.00 0.00 C ATOM 980 CG LEU A 67 1.549 7.320 -3.860 1.00 0.00 C ATOM 981 CD1 LEU A 67 2.274 6.825 -2.579 1.00 0.00 C ATOM 982 CD2 LEU A 67 1.715 8.802 -3.845 1.00 0.00 C ATOM 0 H LEU A 67 0.190 5.946 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 67 1.943 8.348 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.115 5.604 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.374 6.816 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 67 0.494 7.050 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.786 7.245 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.230 5.737 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.316 7.145 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.190 9.218 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.775 9.049 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.302 9.224 -4.761 1.00 0.00 H new ATOM 994 N ARG A 68 3.724 7.665 -7.868 1.00 0.00 N ATOM 995 CA ARG A 68 4.716 7.329 -8.909 1.00 0.00 C ATOM 996 C ARG A 68 5.898 6.842 -8.050 1.00 0.00 C ATOM 997 O ARG A 68 6.331 7.592 -7.194 1.00 0.00 O ATOM 998 CB ARG A 68 5.008 8.637 -9.715 1.00 0.00 C ATOM 999 CG ARG A 68 6.252 8.432 -10.585 1.00 0.00 C ATOM 1000 CD ARG A 68 6.609 9.657 -11.454 1.00 0.00 C ATOM 1001 NE ARG A 68 7.125 10.791 -10.586 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.786 12.024 -10.751 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.553 12.399 -11.940 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.707 12.803 -9.742 1.00 0.00 N ATOM 0 H ARG A 68 3.817 8.591 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 68 4.435 6.584 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.152 8.891 -10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.162 9.472 -9.031 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.099 8.194 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.093 7.571 -11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.365 9.381 -12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.730 9.986 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 68 7.774 10.565 -9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.638 11.735 -12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.281 13.364 -12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.912 12.449 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.439 13.779 -9.871 1.00 0.00 H new ATOM 1018 N VAL A 69 6.353 5.642 -8.302 1.00 0.00 N ATOM 1019 CA VAL A 69 7.489 5.002 -7.559 1.00 0.00 C ATOM 1020 C VAL A 69 8.695 4.768 -8.473 1.00 0.00 C ATOM 1021 O VAL A 69 8.563 4.239 -9.561 1.00 0.00 O ATOM 1022 CB VAL A 69 7.065 3.614 -7.002 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.250 2.938 -6.264 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.888 3.710 -6.034 1.00 0.00 C ATOM 0 H VAL A 69 5.963 5.046 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 69 7.756 5.684 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 69 6.760 3.019 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.934 1.968 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.080 2.802 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.570 3.569 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.631 2.714 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.162 4.342 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.029 4.143 -6.547 1.00 0.00 H new ATOM 1034 N THR A 70 9.834 5.175 -7.993 1.00 0.00 N ATOM 1035 CA THR A 70 11.114 4.997 -8.778 1.00 0.00 C ATOM 1036 C THR A 70 12.174 4.254 -7.958 1.00 0.00 C ATOM 1037 O THR A 70 12.250 4.436 -6.756 1.00 0.00 O ATOM 1038 CB THR A 70 11.623 6.368 -9.178 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.650 6.795 -10.115 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.906 6.263 -10.001 1.00 0.00 C ATOM 0 H THR A 70 9.948 5.628 -7.086 1.00 0.00 H new ATOM 0 HA THR A 70 10.911 4.395 -9.664 1.00 0.00 H new ATOM 0 HB THR A 70 11.794 6.995 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.883 7.688 -10.444 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.247 7.262 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.676 5.765 -9.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.712 5.687 -10.906 1.00 0.00 H new ATOM 1048 N ASN A 71 12.946 3.448 -8.645 1.00 0.00 N ATOM 1049 CA ASN A 71 14.042 2.620 -8.045 1.00 0.00 C ATOM 1050 C ASN A 71 15.509 3.015 -8.430 1.00 0.00 C ATOM 1051 O ASN A 71 16.101 2.398 -9.302 1.00 0.00 O ATOM 1052 CB ASN A 71 13.687 1.170 -8.461 1.00 0.00 C ATOM 1053 CG ASN A 71 14.628 0.177 -7.796 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.191 0.447 -6.756 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.841 -0.978 -8.325 1.00 0.00 N ATOM 0 H ASN A 71 12.855 3.325 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 71 14.071 2.775 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.657 0.947 -8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.751 1.071 -9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.470 -1.639 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.381 -1.231 -9.199 1.00 0.00 H new ATOM 1062 N PRO A 72 16.066 4.024 -7.768 1.00 0.00 N ATOM 1063 CA PRO A 72 17.412 4.598 -8.099 1.00 0.00 C ATOM 1064 C PRO A 72 18.412 3.490 -8.404 1.00 0.00 C ATOM 1065 O PRO A 72 19.198 3.598 -9.322 1.00 0.00 O ATOM 1066 CB PRO A 72 17.765 5.448 -6.869 1.00 0.00 C ATOM 1067 CG PRO A 72 16.383 5.983 -6.459 1.00 0.00 C ATOM 1068 CD PRO A 72 15.474 4.733 -6.593 1.00 0.00 C ATOM 0 HA PRO A 72 17.424 5.210 -9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.226 4.855 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.460 6.251 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.386 6.373 -5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.054 6.793 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.497 4.117 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.433 5.006 -6.766 1.00 0.00 H new ATOM 1076 N ALA A 73 18.336 2.459 -7.598 1.00 0.00 N ATOM 1077 CA ALA A 73 19.225 1.267 -7.738 1.00 0.00 C ATOM 1078 C ALA A 73 19.505 0.922 -9.229 1.00 0.00 C ATOM 1079 O ALA A 73 20.611 0.573 -9.591 1.00 0.00 O ATOM 1080 CB ALA A 73 18.514 0.117 -6.995 1.00 0.00 C ATOM 0 H ALA A 73 17.673 2.395 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 73 20.208 1.457 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.118 -0.788 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.381 0.388 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.540 -0.063 -7.450 1.00 0.00 H new ATOM 1086 N THR A 74 18.479 1.045 -10.034 1.00 0.00 N ATOM 1087 CA THR A 74 18.597 0.742 -11.509 1.00 0.00 C ATOM 1088 C THR A 74 18.169 1.926 -12.371 1.00 0.00 C ATOM 1089 O THR A 74 18.708 2.159 -13.433 1.00 0.00 O ATOM 1090 CB THR A 74 17.711 -0.467 -11.890 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.376 0.032 -11.929 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.642 -1.456 -10.738 1.00 0.00 C ATOM 0 H THR A 74 17.551 1.345 -9.736 1.00 0.00 H new ATOM 0 HA THR A 74 19.648 0.522 -11.695 1.00 0.00 H new ATOM 0 HB THR A 74 18.094 -0.918 -12.805 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.762 -0.694 -12.169 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.015 -2.301 -11.021 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.645 -1.811 -10.503 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.216 -0.966 -9.863 1.00 0.00 H new ATOM 1100 N GLY A 75 17.192 2.638 -11.881 1.00 0.00 N ATOM 1101 CA GLY A 75 16.644 3.835 -12.599 1.00 0.00 C ATOM 1102 C GLY A 75 15.216 3.564 -13.065 1.00 0.00 C ATOM 1103 O GLY A 75 14.567 4.460 -13.562 1.00 0.00 O ATOM 0 H GLY A 75 16.736 2.439 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.660 4.702 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.274 4.074 -13.456 1.00 0.00 H new ATOM 1107 N ALA A 76 14.745 2.351 -12.905 1.00 0.00 N ATOM 1108 CA ALA A 76 13.348 2.049 -13.358 1.00 0.00 C ATOM 1109 C ALA A 76 12.249 2.682 -12.474 1.00 0.00 C ATOM 1110 O ALA A 76 12.347 2.807 -11.267 1.00 0.00 O ATOM 1111 CB ALA A 76 13.195 0.513 -13.392 1.00 0.00 C ATOM 0 H ALA A 76 15.254 1.571 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 76 13.207 2.493 -14.343 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.188 0.255 -13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.921 0.090 -14.087 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.368 0.108 -12.395 1.00 0.00 H new ATOM 1117 N GLN A 77 11.201 3.078 -13.142 1.00 0.00 N ATOM 1118 CA GLN A 77 10.041 3.712 -12.449 1.00 0.00 C ATOM 1119 C GLN A 77 8.680 3.246 -13.010 1.00 0.00 C ATOM 1120 O GLN A 77 8.559 2.902 -14.170 1.00 0.00 O ATOM 1121 CB GLN A 77 10.234 5.246 -12.591 1.00 0.00 C ATOM 1122 CG GLN A 77 10.341 5.657 -14.087 1.00 0.00 C ATOM 1123 CD GLN A 77 10.478 7.173 -14.265 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.053 7.959 -13.448 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.050 7.657 -15.321 1.00 0.00 N ATOM 0 H GLN A 77 11.097 2.988 -14.153 1.00 0.00 H new ATOM 0 HA GLN A 77 10.018 3.414 -11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.397 5.766 -12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.135 5.554 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.201 5.161 -14.537 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.457 5.309 -14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.421 7.028 -16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.129 8.667 -15.441 1.00 0.00 H new ATOM 1134 N ILE A 78 7.712 3.248 -12.135 1.00 0.00 N ATOM 1135 CA ILE A 78 6.300 2.845 -12.449 1.00 0.00 C ATOM 1136 C ILE A 78 5.300 3.647 -11.543 1.00 0.00 C ATOM 1137 O ILE A 78 5.730 4.258 -10.586 1.00 0.00 O ATOM 1138 CB ILE A 78 6.282 1.341 -12.195 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.199 0.644 -13.059 1.00 0.00 C ATOM 1140 CG2 ILE A 78 6.040 1.032 -10.698 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.733 0.370 -14.495 1.00 0.00 C ATOM 0 H ILE A 78 7.846 3.527 -11.163 1.00 0.00 H new ATOM 0 HA ILE A 78 5.988 3.066 -13.470 1.00 0.00 H new ATOM 0 HB ILE A 78 7.260 0.950 -12.478 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.902 -0.294 -12.591 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.309 1.271 -13.110 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.032 -0.047 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.836 1.477 -10.101 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.081 1.449 -10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.958 -0.119 -15.084 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.007 1.313 -14.967 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.609 -0.276 -14.440 1.00 0.00 H new ATOM 1153 N THR A 79 4.022 3.673 -11.824 1.00 0.00 N ATOM 1154 CA THR A 79 3.030 4.416 -10.954 1.00 0.00 C ATOM 1155 C THR A 79 1.933 3.405 -10.656 1.00 0.00 C ATOM 1156 O THR A 79 1.723 2.452 -11.379 1.00 0.00 O ATOM 1157 CB THR A 79 2.327 5.649 -11.668 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.321 6.660 -11.741 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.190 6.379 -10.822 1.00 0.00 C ATOM 0 H THR A 79 3.607 3.206 -12.631 1.00 0.00 H new ATOM 0 HA THR A 79 3.561 4.812 -10.089 1.00 0.00 H new ATOM 0 HB THR A 79 1.900 5.257 -12.591 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.948 7.455 -12.177 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.778 7.204 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.397 5.668 -10.588 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.616 6.764 -9.896 1.00 0.00 H new ATOM 1167 N ALA A 80 1.260 3.617 -9.571 1.00 0.00 N ATOM 1168 CA ALA A 80 0.123 2.662 -9.206 1.00 0.00 C ATOM 1169 C ALA A 80 -1.169 3.400 -8.974 1.00 0.00 C ATOM 1170 O ALA A 80 -0.978 4.466 -8.449 1.00 0.00 O ATOM 1171 CB ALA A 80 0.403 1.940 -7.959 1.00 0.00 C ATOM 0 H ALA A 80 1.421 4.383 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 80 0.039 1.976 -10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.427 1.271 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.318 1.358 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.527 2.654 -7.145 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.336 2.870 -9.286 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.613 3.600 -9.080 1.00 0.00 C ATOM 1179 C ARG A 81 -4.390 3.554 -7.760 1.00 0.00 C ATOM 1180 O ARG A 81 -4.883 2.541 -7.318 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.447 3.109 -10.195 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.339 3.962 -11.512 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.408 5.098 -11.568 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.689 4.490 -11.043 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.128 4.755 -9.873 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.252 5.133 -9.038 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.354 4.628 -9.539 1.00 0.00 N ATOM 0 H ARG A 81 -2.447 1.937 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.350 4.657 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.164 2.080 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.488 3.090 -9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.343 4.399 -11.579 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.459 3.309 -12.377 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.103 5.951 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.538 5.462 -12.587 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.216 3.852 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.275 5.207 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.524 5.363 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.037 4.300 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.650 4.854 -8.589 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.512 4.684 -7.156 1.00 0.00 N ATOM 1202 CA ILE A 82 -5.247 4.778 -5.876 1.00 0.00 C ATOM 1203 C ILE A 82 -6.682 4.185 -5.866 1.00 0.00 C ATOM 1204 O ILE A 82 -7.497 4.686 -6.630 1.00 0.00 O ATOM 1205 CB ILE A 82 -5.396 6.210 -5.489 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -4.467 7.372 -6.042 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -5.897 6.280 -4.126 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.723 8.308 -4.995 1.00 0.00 C ATOM 0 H ILE A 82 -4.128 5.566 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.642 4.187 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.128 6.597 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.708 6.916 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.078 8.009 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.010 7.324 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.864 5.780 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.193 5.788 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.129 9.050 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.460 8.813 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.069 7.703 -4.367 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.934 3.179 -5.074 1.00 0.00 N ATOM 1221 CA VAL A 83 -8.317 2.606 -5.021 1.00 0.00 C ATOM 1222 C VAL A 83 -8.645 2.228 -3.552 1.00 0.00 C ATOM 1223 O VAL A 83 -9.664 2.633 -3.029 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.390 1.372 -6.004 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.894 0.069 -5.434 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.837 1.137 -6.362 1.00 0.00 C ATOM 0 H VAL A 83 -6.251 2.729 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.066 3.329 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.748 1.636 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.986 -0.715 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.848 0.173 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.489 -0.195 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.910 0.288 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.406 0.928 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.241 2.026 -6.847 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.768 1.477 -2.938 1.00 0.00 N ATOM 1237 CA ASP A 84 -8.052 1.084 -1.498 1.00 0.00 C ATOM 1238 C ASP A 84 -6.857 1.266 -0.545 1.00 0.00 C ATOM 1239 O ASP A 84 -5.857 1.900 -0.820 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.525 -0.394 -1.500 1.00 0.00 C ATOM 1241 CG ASP A 84 -9.755 -0.534 -2.372 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -10.675 0.258 -2.222 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -9.683 -1.469 -3.144 1.00 0.00 O ATOM 0 H ASP A 84 -6.899 1.124 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.820 1.755 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.729 -1.040 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.750 -0.716 -0.483 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.022 0.680 0.606 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.016 0.687 1.701 1.00 0.00 C ATOM 1250 C GLN A 85 -5.723 -0.792 2.071 1.00 0.00 C ATOM 1251 O GLN A 85 -6.425 -1.692 1.660 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.636 1.449 2.896 1.00 0.00 C ATOM 1253 CG GLN A 85 -7.400 0.476 3.899 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.948 1.199 5.128 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -9.088 1.053 5.514 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.166 1.992 5.790 1.00 0.00 N ATOM 0 H GLN A 85 -7.869 0.164 0.843 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.084 1.174 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.850 1.979 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.330 2.202 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.222 -0.008 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.720 -0.312 4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.203 2.131 5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.514 2.478 6.617 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.687 -1.011 2.826 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.316 -2.388 3.273 1.00 0.00 C ATOM 1267 C CYS A 86 -4.226 -2.331 4.825 1.00 0.00 C ATOM 1268 O CYS A 86 -4.129 -1.267 5.402 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.983 -2.758 2.555 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.125 -1.502 1.572 1.00 0.00 S ATOM 0 H CYS A 86 -4.063 -0.277 3.163 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.034 -3.167 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.287 -3.109 3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.189 -3.603 1.898 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.263 -3.462 5.476 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.188 -3.464 6.986 1.00 0.00 C ATOM 1277 C ALA A 87 -2.769 -3.615 7.555 1.00 0.00 C ATOM 1278 O ALA A 87 -2.497 -3.166 8.652 1.00 0.00 O ATOM 1279 CB ALA A 87 -5.095 -4.603 7.498 1.00 0.00 C ATOM 0 H ALA A 87 -4.341 -4.382 5.043 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.523 -2.487 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.063 -4.632 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.119 -4.428 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.744 -5.555 7.100 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.894 -4.236 6.809 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.496 -4.408 7.310 1.00 0.00 C ATOM 1287 C ASN A 88 0.371 -3.319 6.634 1.00 0.00 C ATOM 1288 O ASN A 88 0.000 -2.741 5.627 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.049 -5.885 6.972 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.583 -6.393 5.637 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.559 -5.736 4.624 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.087 -7.581 5.560 1.00 0.00 N ATOM 0 H ASN A 88 -2.082 -4.628 5.886 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.396 -4.281 8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.040 -5.933 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.389 -6.550 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.443 -7.927 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.128 -8.172 6.390 1.00 0.00 H new ATOM 1299 N GLY A 89 1.513 -3.072 7.219 1.00 0.00 N ATOM 1300 CA GLY A 89 2.442 -2.027 6.675 1.00 0.00 C ATOM 1301 C GLY A 89 3.180 -2.434 5.424 1.00 0.00 C ATOM 1302 O GLY A 89 4.388 -2.500 5.465 1.00 0.00 O ATOM 0 H GLY A 89 1.848 -3.550 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.869 -1.124 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.171 -1.771 7.444 1.00 0.00 H new ATOM 1306 N GLY A 90 2.455 -2.672 4.362 1.00 0.00 N ATOM 1307 CA GLY A 90 3.099 -3.090 3.061 1.00 0.00 C ATOM 1308 C GLY A 90 3.255 -1.966 2.059 1.00 0.00 C ATOM 1309 O GLY A 90 4.336 -1.510 1.807 1.00 0.00 O ATOM 0 H GLY A 90 1.438 -2.597 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.081 -3.512 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.502 -3.883 2.611 1.00 0.00 H new ATOM 1313 N LEU A 91 2.157 -1.573 1.501 1.00 0.00 N ATOM 1314 CA LEU A 91 2.116 -0.443 0.484 1.00 0.00 C ATOM 1315 C LEU A 91 0.996 -0.374 -0.462 1.00 0.00 C ATOM 1316 O LEU A 91 0.723 0.691 -0.987 1.00 0.00 O ATOM 1317 CB LEU A 91 3.430 -0.362 -0.471 1.00 0.00 C ATOM 1318 CG LEU A 91 4.305 0.924 -0.220 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.655 0.797 -0.970 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.622 2.170 -0.826 1.00 0.00 C ATOM 0 H LEU A 91 1.246 -1.987 1.699 1.00 0.00 H new ATOM 0 HA LEU A 91 2.025 0.376 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.044 -1.248 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.114 -0.380 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 91 4.436 1.019 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.255 1.689 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.192 -0.080 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.469 0.692 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.240 3.049 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.498 2.031 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.645 2.311 -0.363 1.00 0.00 H new ATOM 1332 N ASP A 92 0.423 -1.505 -0.621 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.758 -1.649 -1.585 1.00 0.00 C ATOM 1334 C ASP A 92 -1.503 -3.005 -1.905 1.00 0.00 C ATOM 1335 O ASP A 92 -1.349 -4.096 -1.389 1.00 0.00 O ATOM 1336 CB ASP A 92 -0.228 -1.048 -2.973 1.00 0.00 C ATOM 1337 CG ASP A 92 1.148 -1.592 -3.389 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.657 -2.454 -2.704 1.00 0.00 O ATOM 1339 OD2 ASP A 92 1.623 -1.075 -4.392 1.00 0.00 O ATOM 0 H ASP A 92 0.694 -2.363 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.556 -1.156 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.951 -1.272 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.172 0.038 -2.892 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.420 -2.868 -2.848 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.201 -3.992 -3.366 1.00 0.00 C ATOM 1346 C LEU A 93 -1.925 -4.361 -4.196 1.00 0.00 C ATOM 1347 O LEU A 93 -1.136 -3.519 -4.603 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.283 -3.747 -4.470 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.691 -3.679 -3.878 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.330 -2.355 -4.352 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.521 -4.868 -4.293 1.00 0.00 C ATOM 0 H LEU A 93 -2.649 -1.973 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.753 -4.571 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.064 -2.817 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.237 -4.548 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.643 -3.706 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.339 -2.272 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.729 -1.515 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.374 -2.342 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.516 -4.788 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.604 -4.892 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.044 -5.784 -3.945 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.024 -5.604 -4.417 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.175 -6.602 -5.074 1.00 0.00 C ATOM 1365 C ASP A 94 -0.020 -5.942 -5.802 1.00 0.00 C ATOM 1366 O ASP A 94 -0.106 -4.974 -6.501 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.236 -7.324 -5.922 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.738 -8.484 -6.728 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.889 -8.208 -7.555 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -2.270 -9.542 -6.430 1.00 0.00 O ATOM 0 H ASP A 94 -2.867 -6.072 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.626 -7.301 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.026 -7.677 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.688 -6.600 -6.600 1.00 0.00 H new ATOM 1375 N TRP A 95 1.081 -6.569 -5.521 1.00 0.00 N ATOM 1376 CA TRP A 95 2.445 -6.244 -5.999 1.00 0.00 C ATOM 1377 C TRP A 95 2.913 -6.896 -7.263 1.00 0.00 C ATOM 1378 O TRP A 95 4.067 -6.752 -7.656 1.00 0.00 O ATOM 1379 CB TRP A 95 3.272 -6.571 -4.765 1.00 0.00 C ATOM 1380 CG TRP A 95 4.338 -7.670 -4.982 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.677 -7.551 -4.809 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.053 -8.933 -5.387 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.127 -8.751 -5.129 1.00 0.00 N ATOM 1384 CE2 TRP A 95 5.221 -9.651 -5.491 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.844 -9.554 -5.688 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 5.186 -10.976 -5.887 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 2.806 -10.876 -6.087 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.980 -11.589 -6.187 1.00 0.00 C ATOM 0 H TRP A 95 1.080 -7.385 -4.909 1.00 0.00 H new ATOM 0 HA TRP A 95 2.521 -5.212 -6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 95 3.769 -5.662 -4.425 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.601 -6.886 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.239 -6.686 -4.488 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.122 -8.975 -5.099 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.923 -8.995 -5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.106 -11.537 -5.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.862 -11.347 -6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.961 -12.623 -6.498 1.00 0.00 H new ATOM 1399 N ASP A 96 1.975 -7.564 -7.882 1.00 0.00 N ATOM 1400 CA ASP A 96 2.471 -8.215 -9.160 1.00 0.00 C ATOM 1401 C ASP A 96 2.525 -7.118 -10.323 1.00 0.00 C ATOM 1402 O ASP A 96 2.976 -7.283 -11.440 1.00 0.00 O ATOM 1403 CB ASP A 96 1.497 -9.430 -9.459 1.00 0.00 C ATOM 1404 CG ASP A 96 2.189 -10.565 -10.249 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.374 -10.426 -10.509 1.00 0.00 O ATOM 1406 OD2 ASP A 96 1.491 -11.517 -10.555 1.00 0.00 O ATOM 0 H ASP A 96 0.999 -7.689 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 96 3.486 -8.605 -9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.117 -9.827 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.637 -9.071 -10.024 1.00 0.00 H new ATOM 1411 N THR A 97 2.027 -5.990 -9.897 1.00 0.00 N ATOM 1412 CA THR A 97 1.835 -4.658 -10.580 1.00 0.00 C ATOM 1413 C THR A 97 3.035 -3.659 -10.456 1.00 0.00 C ATOM 1414 O THR A 97 3.558 -3.249 -11.476 1.00 0.00 O ATOM 1415 CB THR A 97 0.490 -4.035 -9.990 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.818 -3.112 -8.956 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.225 -5.081 -9.130 1.00 0.00 C ATOM 0 H THR A 97 1.689 -5.934 -8.936 1.00 0.00 H new ATOM 0 HA THR A 97 1.775 -4.832 -11.654 1.00 0.00 H new ATOM 0 HB THR A 97 -0.070 -3.642 -10.838 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.557 -3.486 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.144 -4.655 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.466 -5.951 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.425 -5.383 -8.309 1.00 0.00 H new ATOM 1425 N VAL A 98 3.430 -3.271 -9.259 1.00 0.00 N ATOM 1426 CA VAL A 98 4.582 -2.317 -9.058 1.00 0.00 C ATOM 1427 C VAL A 98 5.998 -2.948 -8.909 1.00 0.00 C ATOM 1428 O VAL A 98 6.847 -2.896 -9.787 1.00 0.00 O ATOM 1429 CB VAL A 98 4.285 -1.448 -7.784 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.473 -0.500 -7.466 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.046 -0.581 -8.014 1.00 0.00 C ATOM 0 H VAL A 98 2.992 -3.583 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 98 4.634 -1.740 -9.981 1.00 0.00 H new ATOM 0 HB VAL A 98 4.126 -2.134 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.241 0.090 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.371 -1.090 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.643 0.167 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.850 0.017 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.217 0.079 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.187 -1.220 -8.218 1.00 0.00 H new ATOM 1441 N PHE A 99 6.171 -3.526 -7.746 1.00 0.00 N ATOM 1442 CA PHE A 99 7.461 -4.201 -7.341 1.00 0.00 C ATOM 1443 C PHE A 99 8.073 -5.116 -8.423 1.00 0.00 C ATOM 1444 O PHE A 99 9.136 -4.813 -8.924 1.00 0.00 O ATOM 1445 CB PHE A 99 7.150 -4.969 -6.030 1.00 0.00 C ATOM 1446 CG PHE A 99 8.383 -5.105 -5.096 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.722 -4.056 -4.246 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.168 -6.244 -5.078 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.821 -4.141 -3.396 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.262 -6.334 -4.235 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.582 -5.285 -3.400 1.00 0.00 C ATOM 0 H PHE A 99 5.447 -3.563 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 99 8.234 -3.447 -7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.352 -4.454 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.778 -5.963 -6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.121 -3.159 -4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.925 -7.071 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.072 -3.319 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.867 -7.229 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.437 -5.363 -2.744 1.00 0.00 H new ATOM 1461 N THR A 100 7.396 -6.189 -8.768 1.00 0.00 N ATOM 1462 CA THR A 100 7.917 -7.164 -9.832 1.00 0.00 C ATOM 1463 C THR A 100 8.642 -6.522 -10.981 1.00 0.00 C ATOM 1464 O THR A 100 9.541 -7.087 -11.573 1.00 0.00 O ATOM 1465 CB THR A 100 6.818 -8.001 -10.560 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.172 -7.221 -11.571 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.685 -8.088 -9.693 1.00 0.00 C ATOM 0 H THR A 100 6.496 -6.448 -8.365 1.00 0.00 H new ATOM 0 HA THR A 100 8.568 -7.776 -9.208 1.00 0.00 H new ATOM 0 HB THR A 100 7.304 -8.919 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.202 -7.252 -11.438 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.900 -8.669 -10.177 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.976 -8.576 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.314 -7.086 -9.477 1.00 0.00 H new ATOM 1475 N LYS A 101 8.180 -5.332 -11.244 1.00 0.00 N ATOM 1476 CA LYS A 101 8.752 -4.550 -12.351 1.00 0.00 C ATOM 1477 C LYS A 101 9.949 -3.657 -12.045 1.00 0.00 C ATOM 1478 O LYS A 101 11.013 -3.854 -12.596 1.00 0.00 O ATOM 1479 CB LYS A 101 7.643 -3.672 -12.938 1.00 0.00 C ATOM 1480 CG LYS A 101 6.567 -4.600 -13.375 1.00 0.00 C ATOM 1481 CD LYS A 101 5.391 -3.779 -13.800 1.00 0.00 C ATOM 1482 CE LYS A 101 4.300 -4.783 -13.992 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.067 -4.026 -14.318 1.00 0.00 N ATOM 0 H LYS A 101 7.427 -4.873 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 101 9.145 -5.303 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.271 -2.967 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.015 -3.084 -13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.914 -5.224 -14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.289 -5.271 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.125 -3.041 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.597 -3.233 -14.720 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.551 -5.476 -14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.160 -5.378 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.310 -4.690 -14.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.772 -3.469 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.253 -3.386 -15.117 1.00 0.00 H new ATOM 1497 N ILE A 102 9.730 -2.707 -11.172 1.00 0.00 N ATOM 1498 CA ILE A 102 10.845 -1.759 -10.815 1.00 0.00 C ATOM 1499 C ILE A 102 12.071 -2.511 -10.278 1.00 0.00 C ATOM 1500 O ILE A 102 13.190 -2.033 -10.381 1.00 0.00 O ATOM 1501 CB ILE A 102 10.351 -0.727 -9.747 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.187 -1.440 -8.382 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.002 -0.102 -10.204 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.718 -0.459 -7.294 1.00 0.00 C ATOM 0 H ILE A 102 8.844 -2.542 -10.694 1.00 0.00 H new ATOM 0 HA ILE A 102 11.139 -1.234 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 102 11.084 0.073 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.467 -2.253 -8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.136 -1.888 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.662 0.616 -9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.141 0.406 -11.158 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.256 -0.889 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.612 -0.989 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.452 0.339 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.757 -0.031 -7.580 1.00 0.00 H new ATOM 1516 N ASP A 103 11.793 -3.649 -9.715 1.00 0.00 N ATOM 1517 CA ASP A 103 12.849 -4.514 -9.146 1.00 0.00 C ATOM 1518 C ASP A 103 13.400 -5.556 -10.110 1.00 0.00 C ATOM 1519 O ASP A 103 13.369 -6.740 -9.840 1.00 0.00 O ATOM 1520 CB ASP A 103 12.242 -5.161 -7.896 1.00 0.00 C ATOM 1521 CG ASP A 103 12.529 -4.212 -6.779 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.695 -4.220 -6.422 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.593 -3.551 -6.372 1.00 0.00 O ATOM 0 H ASP A 103 10.848 -4.023 -9.625 1.00 0.00 H new ATOM 0 HA ASP A 103 13.722 -3.906 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.170 -5.315 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.685 -6.138 -7.705 1.00 0.00 H new ATOM 1528 N THR A 104 13.883 -5.044 -11.219 1.00 0.00 N ATOM 1529 CA THR A 104 14.508 -5.868 -12.341 1.00 0.00 C ATOM 1530 C THR A 104 14.933 -7.275 -11.906 1.00 0.00 C ATOM 1531 O THR A 104 14.666 -8.276 -12.535 1.00 0.00 O ATOM 1532 CB THR A 104 15.762 -5.131 -12.897 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.471 -4.696 -11.746 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.402 -3.850 -13.629 1.00 0.00 C ATOM 0 H THR A 104 13.875 -4.043 -11.412 1.00 0.00 H new ATOM 0 HA THR A 104 13.735 -5.978 -13.102 1.00 0.00 H new ATOM 0 HB THR A 104 16.297 -5.798 -13.573 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.282 -4.220 -12.022 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.311 -3.374 -13.997 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.748 -4.083 -14.469 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.889 -3.173 -12.946 1.00 0.00 H new ATOM 1542 N ASN A 105 15.614 -7.248 -10.802 1.00 0.00 N ATOM 1543 CA ASN A 105 16.164 -8.456 -10.125 1.00 0.00 C ATOM 1544 C ASN A 105 15.240 -9.065 -9.024 1.00 0.00 C ATOM 1545 O ASN A 105 14.887 -10.216 -9.184 1.00 0.00 O ATOM 1546 CB ASN A 105 17.543 -8.004 -9.587 1.00 0.00 C ATOM 1547 CG ASN A 105 17.402 -6.674 -8.858 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.816 -6.586 -7.808 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.898 -5.587 -9.349 1.00 0.00 N ATOM 0 H ASN A 105 15.826 -6.381 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 105 16.246 -9.288 -10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.945 -8.759 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.250 -7.905 -10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.785 -4.704 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.402 -5.611 -10.235 1.00 0.00 H new ATOM 1556 N GLY A 106 14.868 -8.367 -7.974 1.00 0.00 N ATOM 1557 CA GLY A 106 13.967 -9.004 -6.939 1.00 0.00 C ATOM 1558 C GLY A 106 14.565 -9.363 -5.586 1.00 0.00 C ATOM 1559 O GLY A 106 13.790 -9.610 -4.690 1.00 0.00 O ATOM 0 H GLY A 106 15.139 -7.402 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.131 -8.327 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.554 -9.915 -7.373 1.00 0.00 H new ATOM 1563 N ILE A 107 15.874 -9.396 -5.445 1.00 0.00 N ATOM 1564 CA ILE A 107 16.533 -9.750 -4.129 1.00 0.00 C ATOM 1565 C ILE A 107 15.688 -9.374 -2.905 1.00 0.00 C ATOM 1566 O ILE A 107 15.292 -10.214 -2.124 1.00 0.00 O ATOM 1567 CB ILE A 107 17.916 -9.042 -4.061 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.921 -9.720 -5.015 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.507 -9.189 -2.631 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.540 -9.658 -6.490 1.00 0.00 C ATOM 0 H ILE A 107 16.530 -9.189 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 107 16.645 -10.834 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 107 17.766 -7.997 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.897 -9.252 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.028 -10.765 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.476 -8.692 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.830 -8.732 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.629 -10.246 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.304 -10.159 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 107 17.581 -10.154 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.463 -8.617 -6.802 1.00 0.00 H new ATOM 1582 N GLY A 108 15.461 -8.090 -2.795 1.00 0.00 N ATOM 1583 CA GLY A 108 14.648 -7.458 -1.685 1.00 0.00 C ATOM 1584 C GLY A 108 13.426 -8.291 -1.311 1.00 0.00 C ATOM 1585 O GLY A 108 13.040 -8.363 -0.164 1.00 0.00 O ATOM 0 H GLY A 108 15.823 -7.410 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.279 -7.328 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.325 -6.464 -1.995 1.00 0.00 H new ATOM 1589 N TYR A 109 12.843 -8.909 -2.295 1.00 0.00 N ATOM 1590 CA TYR A 109 11.647 -9.761 -2.092 1.00 0.00 C ATOM 1591 C TYR A 109 11.874 -10.761 -0.920 1.00 0.00 C ATOM 1592 O TYR A 109 10.955 -11.166 -0.242 1.00 0.00 O ATOM 1593 CB TYR A 109 11.391 -10.473 -3.451 1.00 0.00 C ATOM 1594 CG TYR A 109 10.120 -11.307 -3.358 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.150 -12.600 -2.883 1.00 0.00 C ATOM 1596 CD2 TYR A 109 8.921 -10.754 -3.738 1.00 0.00 C ATOM 1597 CE1 TYR A 109 8.987 -13.330 -2.788 1.00 0.00 C ATOM 1598 CE2 TYR A 109 7.761 -11.488 -3.639 1.00 0.00 C ATOM 1599 CZ TYR A 109 7.794 -12.773 -3.165 1.00 0.00 C ATOM 1600 OH TYR A 109 6.637 -13.502 -3.062 1.00 0.00 O ATOM 0 H TYR A 109 13.159 -8.855 -3.263 1.00 0.00 H new ATOM 0 HA TYR A 109 10.772 -9.178 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.297 -9.735 -4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.238 -11.110 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.089 -13.042 -2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.889 -9.742 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.015 -14.343 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.820 -11.049 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 109 5.880 -12.960 -3.369 1.00 0.00 H new ATOM 1610 N GLN A 110 13.107 -11.145 -0.707 1.00 0.00 N ATOM 1611 CA GLN A 110 13.436 -12.109 0.398 1.00 0.00 C ATOM 1612 C GLN A 110 14.046 -11.410 1.640 1.00 0.00 C ATOM 1613 O GLN A 110 14.438 -12.052 2.593 1.00 0.00 O ATOM 1614 CB GLN A 110 14.421 -13.135 -0.167 1.00 0.00 C ATOM 1615 CG GLN A 110 13.831 -13.815 -1.451 1.00 0.00 C ATOM 1616 CD GLN A 110 14.753 -14.910 -1.981 1.00 0.00 C ATOM 1617 OE1 GLN A 110 14.507 -15.512 -3.001 1.00 0.00 O ATOM 1618 NE2 GLN A 110 15.831 -15.220 -1.340 1.00 0.00 N ATOM 0 H GLN A 110 13.909 -10.832 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 110 12.516 -12.583 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.365 -12.647 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 110 14.637 -13.893 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 110 12.854 -14.241 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.677 -13.062 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.069 -14.732 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.444 -15.952 -1.698 1.00 0.00 H new ATOM 1627 N GLN A 111 14.101 -10.113 1.591 1.00 0.00 N ATOM 1628 CA GLN A 111 14.663 -9.305 2.725 1.00 0.00 C ATOM 1629 C GLN A 111 13.422 -8.739 3.446 1.00 0.00 C ATOM 1630 O GLN A 111 13.373 -8.653 4.659 1.00 0.00 O ATOM 1631 CB GLN A 111 15.564 -8.188 2.122 1.00 0.00 C ATOM 1632 CG GLN A 111 16.616 -7.706 3.197 1.00 0.00 C ATOM 1633 CD GLN A 111 17.761 -8.713 3.434 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.336 -8.823 4.494 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.156 -9.485 2.474 1.00 0.00 N ATOM 0 H GLN A 111 13.775 -9.559 0.799 1.00 0.00 H new ATOM 0 HA GLN A 111 15.282 -9.869 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.080 -8.563 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.949 -7.347 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.040 -6.754 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.102 -7.524 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.706 -9.434 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.918 -10.145 2.631 1.00 0.00 H new ATOM 1644 N GLY A 112 12.451 -8.354 2.652 1.00 0.00 N ATOM 1645 CA GLY A 112 11.173 -7.794 3.221 1.00 0.00 C ATOM 1646 C GLY A 112 10.898 -6.333 2.925 1.00 0.00 C ATOM 1647 O GLY A 112 9.782 -5.894 3.071 1.00 0.00 O ATOM 0 H GLY A 112 12.484 -8.402 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.340 -8.384 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.191 -7.928 4.303 1.00 0.00 H new ATOM 1651 N HIS A 113 11.901 -5.606 2.527 1.00 0.00 N ATOM 1652 CA HIS A 113 11.718 -4.148 2.221 1.00 0.00 C ATOM 1653 C HIS A 113 12.755 -3.624 1.202 1.00 0.00 C ATOM 1654 O HIS A 113 13.732 -4.299 0.962 1.00 0.00 O ATOM 1655 CB HIS A 113 11.811 -3.481 3.602 1.00 0.00 C ATOM 1656 CG HIS A 113 13.175 -3.849 4.200 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.192 -3.064 4.253 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.631 -5.026 4.776 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.196 -3.673 4.803 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.889 -4.898 5.143 1.00 0.00 N ATOM 0 H HIS A 113 12.851 -5.955 2.397 1.00 0.00 H new ATOM 0 HA HIS A 113 10.771 -3.928 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.710 -2.399 3.513 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.003 -3.824 4.249 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.039 -5.920 4.905 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.166 -3.224 4.961 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.486 -5.594 5.590 1.00 0.00 H new ATOM 1668 N LEU A 114 12.535 -2.466 0.625 1.00 0.00 N ATOM 1669 CA LEU A 114 13.514 -1.881 -0.385 1.00 0.00 C ATOM 1670 C LEU A 114 13.711 -0.327 -0.266 1.00 0.00 C ATOM 1671 O LEU A 114 12.982 0.299 0.480 1.00 0.00 O ATOM 1672 CB LEU A 114 12.987 -2.290 -1.797 1.00 0.00 C ATOM 1673 CG LEU A 114 13.898 -1.759 -2.934 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.348 -2.286 -2.771 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.392 -2.290 -4.253 1.00 0.00 C ATOM 0 H LEU A 114 11.715 -1.886 0.804 1.00 0.00 H new ATOM 0 HA LEU A 114 14.510 -2.281 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.925 -3.376 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.976 -1.905 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 114 13.885 -0.670 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.968 -1.900 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.751 -1.953 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.345 -3.375 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.026 -1.923 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.416 -3.380 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.368 -1.952 -4.413 1.00 0.00 H new ATOM 1687 N ASN A 115 14.653 0.281 -0.968 1.00 0.00 N ATOM 1688 CA ASN A 115 14.859 1.772 -0.871 1.00 0.00 C ATOM 1689 C ASN A 115 14.385 2.391 -2.219 1.00 0.00 C ATOM 1690 O ASN A 115 14.997 2.282 -3.269 1.00 0.00 O ATOM 1691 CB ASN A 115 16.360 2.053 -0.614 1.00 0.00 C ATOM 1692 CG ASN A 115 16.519 3.528 -0.193 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.822 4.397 -0.661 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.397 3.911 0.674 1.00 0.00 N ATOM 0 H ASN A 115 15.290 -0.196 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 115 14.292 2.212 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.740 1.394 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.942 1.851 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.470 4.897 0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 115 18.018 3.227 1.108 1.00 0.00 H new ATOM 1701 N VAL A 116 13.256 3.029 -2.080 1.00 0.00 N ATOM 1702 CA VAL A 116 12.577 3.700 -3.236 1.00 0.00 C ATOM 1703 C VAL A 116 12.017 5.102 -2.861 1.00 0.00 C ATOM 1704 O VAL A 116 12.116 5.551 -1.731 1.00 0.00 O ATOM 1705 CB VAL A 116 11.421 2.739 -3.715 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.807 1.230 -3.625 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.184 2.904 -2.819 1.00 0.00 C ATOM 0 H VAL A 116 12.760 3.118 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 116 13.298 3.875 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 116 11.229 3.014 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.972 0.620 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.678 1.039 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.042 0.976 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.395 2.235 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.445 2.660 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.833 3.935 -2.870 1.00 0.00 H new ATOM 1717 N ASN A 117 11.444 5.753 -3.843 1.00 0.00 N ATOM 1718 CA ASN A 117 10.835 7.119 -3.637 1.00 0.00 C ATOM 1719 C ASN A 117 9.442 7.097 -4.253 1.00 0.00 C ATOM 1720 O ASN A 117 9.283 6.447 -5.272 1.00 0.00 O ATOM 1721 CB ASN A 117 11.608 8.210 -4.374 1.00 0.00 C ATOM 1722 CG ASN A 117 13.051 8.011 -4.068 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.559 8.460 -3.074 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.753 7.320 -4.904 1.00 0.00 N ATOM 0 H ASN A 117 11.368 5.396 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 117 10.840 7.333 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.431 8.149 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.279 9.198 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.743 7.153 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.317 6.942 -5.745 1.00 0.00 H new ATOM 1731 N TYR A 118 8.510 7.788 -3.645 1.00 0.00 N ATOM 1732 CA TYR A 118 7.138 7.817 -4.206 1.00 0.00 C ATOM 1733 C TYR A 118 6.689 9.273 -4.149 1.00 0.00 C ATOM 1734 O TYR A 118 6.813 9.932 -3.128 1.00 0.00 O ATOM 1735 CB TYR A 118 6.167 6.916 -3.391 1.00 0.00 C ATOM 1736 CG TYR A 118 6.016 7.284 -1.914 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.084 8.226 -1.513 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.804 6.666 -0.969 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.950 8.535 -0.172 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.661 6.983 0.366 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.740 7.911 0.766 1.00 0.00 C ATOM 1742 OH TYR A 118 5.606 8.218 2.099 1.00 0.00 O ATOM 0 H TYR A 118 8.645 8.328 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 118 7.131 7.431 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.184 6.953 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.513 5.885 -3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.463 8.719 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.535 5.932 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.222 9.269 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.282 6.494 1.102 1.00 0.00 H new ATOM 0 HH TYR A 118 4.701 8.555 2.268 1.00 0.00 H new ATOM 1752 N GLN A 119 6.183 9.751 -5.249 1.00 0.00 N ATOM 1753 CA GLN A 119 5.721 11.181 -5.265 1.00 0.00 C ATOM 1754 C GLN A 119 4.211 11.154 -5.531 1.00 0.00 C ATOM 1755 O GLN A 119 3.777 10.412 -6.403 1.00 0.00 O ATOM 1756 CB GLN A 119 6.483 11.952 -6.399 1.00 0.00 C ATOM 1757 CG GLN A 119 7.911 11.343 -6.718 1.00 0.00 C ATOM 1758 CD GLN A 119 8.872 11.302 -5.522 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.995 10.867 -5.637 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.539 11.723 -4.348 1.00 0.00 N ATOM 0 H GLN A 119 6.067 9.236 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 119 5.925 11.689 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.879 11.940 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.598 12.996 -6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.782 10.330 -7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.370 11.927 -7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.605 12.101 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.210 11.677 -3.581 1.00 0.00 H new ATOM 1769 N PHE A 120 3.451 11.939 -4.790 1.00 0.00 N ATOM 1770 CA PHE A 120 1.985 11.912 -5.049 1.00 0.00 C ATOM 1771 C PHE A 120 1.630 12.383 -6.423 1.00 0.00 C ATOM 1772 O PHE A 120 1.896 13.490 -6.852 1.00 0.00 O ATOM 1773 CB PHE A 120 1.222 12.797 -4.069 1.00 0.00 C ATOM 1774 CG PHE A 120 0.721 11.935 -2.933 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.581 11.540 -1.941 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.594 11.524 -2.906 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.144 10.733 -0.918 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.031 10.718 -1.885 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.177 10.316 -0.889 1.00 0.00 C ATOM 0 H PHE A 120 3.771 12.566 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 120 1.702 10.866 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.870 13.586 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.387 13.285 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.610 11.866 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.276 11.834 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.827 10.425 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.062 10.396 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.531 9.681 -0.090 1.00 0.00 H new ATOM 1789 N VAL A 121 1.009 11.452 -7.060 1.00 0.00 N ATOM 1790 CA VAL A 121 0.554 11.643 -8.416 1.00 0.00 C ATOM 1791 C VAL A 121 -0.862 11.048 -8.561 1.00 0.00 C ATOM 1792 O VAL A 121 -1.318 10.239 -7.757 1.00 0.00 O ATOM 1793 CB VAL A 121 1.679 10.935 -9.227 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.176 10.222 -10.447 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.759 11.911 -9.629 1.00 0.00 C ATOM 0 H VAL A 121 0.797 10.535 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 121 0.427 12.670 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 121 2.091 10.182 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.012 9.752 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.456 9.459 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.693 10.937 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.531 11.388 -10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.327 12.697 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.200 12.353 -8.736 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.482 11.631 -9.545 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.835 11.301 -10.052 1.00 0.00 C ATOM 1807 C ASP A 122 -2.451 10.232 -11.130 1.00 0.00 C ATOM 1808 O ASP A 122 -1.443 10.480 -11.769 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.411 12.586 -10.627 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.874 13.454 -9.472 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.014 13.811 -8.691 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.070 13.694 -9.475 1.00 0.00 O ATOM 0 H ASP A 122 -1.054 12.398 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.586 10.930 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.659 13.109 -11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.244 12.364 -11.294 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.085 9.122 -11.410 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.473 8.303 -12.523 1.00 0.00 C ATOM 1819 C CYS A 123 -3.159 8.830 -13.798 1.00 0.00 C ATOM 1820 O CYS A 123 -2.550 9.296 -14.736 1.00 0.00 O ATOM 1821 CB CYS A 123 -2.781 6.831 -12.306 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.507 6.114 -10.678 1.00 0.00 S ATOM 0 H CYS A 123 -3.929 8.761 -10.966 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.388 8.390 -12.576 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -3.828 6.672 -12.564 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -2.187 6.261 -13.021 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.461 8.721 -13.727 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.419 9.145 -14.813 1.00 0.00 C ATOM 1829 C ARG A 124 -5.152 8.354 -16.115 1.00 0.00 C ATOM 1830 O ARG A 124 -4.735 8.900 -17.118 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.273 10.702 -15.057 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.786 11.504 -13.821 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.711 13.034 -14.062 1.00 0.00 C ATOM 1834 NE ARG A 124 -6.729 13.431 -15.111 1.00 0.00 N ATOM 1835 CZ ARG A 124 -6.807 14.645 -15.522 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -7.166 15.527 -14.680 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -6.524 14.899 -16.736 1.00 0.00 N ATOM 0 H ARG A 124 -4.932 8.331 -12.911 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.440 8.928 -14.499 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.229 10.949 -15.249 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -5.837 10.991 -15.944 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.815 11.219 -13.604 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.192 11.243 -12.945 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.904 13.569 -13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.709 13.313 -14.388 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.359 12.727 -15.495 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.379 15.258 -13.719 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.241 16.504 -14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.242 14.145 -17.362 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.579 15.857 -17.083 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.435 7.077 -15.993 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.267 6.076 -17.095 1.00 0.00 C ATOM 1853 C ASP A 125 -6.575 6.008 -17.936 1.00 0.00 C ATOM 1854 O ASP A 125 -6.425 5.716 -19.109 1.00 0.00 O ATOM 1855 CB ASP A 125 -4.989 4.662 -16.501 1.00 0.00 C ATOM 1856 CG ASP A 125 -4.283 3.740 -17.511 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -3.439 4.203 -18.253 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -4.609 2.569 -17.476 1.00 0.00 O ATOM 1859 OXT ASP A 125 -7.644 6.241 -17.376 1.00 0.00 O ATOM 0 H ASP A 125 -5.794 6.671 -15.129 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.428 6.382 -17.720 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -4.373 4.759 -15.607 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -5.930 4.207 -16.192 1.00 0.00 H new