USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 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 10 TYR OH : rot 119:sc= 1.67 USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 71 ASN : amide:sc= -0.773 X(o=0.74,f=0.34) USER MOD Set 2.2: A 74 THR OG1 : rot -169:sc= 1.51 USER MOD Single : A 1 GLU N :NH3+ -121:sc= -0.0887 (180deg=-0.692) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 4 ASN : amide:sc= 0.362 K(o=0.36,f=-5.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 11 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-2.8!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.00211 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 1.13 K(o=1.1,f=-0.23) USER MOD Single : A 19 ASN : amide:sc= -1.23 K(o=-1.2,f=-6.8!) USER MOD Single : A 28 SER OG : rot 47:sc= 0.15 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 37 SER OG : rot 180:sc= -0.314 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.088 USER MOD Single : A 44 SER OG : rot 180:sc= -0.269 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.153) USER MOD Single : A 46 TYR OH : rot -176:sc= 0.574 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0092 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.106 X(o=0.11,f=-0.088) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00139 USER MOD Single : A 100 THR OG1 : rot 172:sc= 1.39 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -130:sc= -0.424 USER MOD Single : A 105 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 110 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.97) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-4.8!) USER MOD Single : A 115 ASN : amide:sc= -3.79! C(o=-3.8!,f=-5.2!) USER MOD Single : A 117 ASN : amide:sc= -1.37! C(o=-1.4!,f=-11!) USER MOD Single : A 118 TYR OH : rot 30:sc= 1.1 USER MOD Single : A 119 GLN : amide:sc= -3.07 K(o=-3.1,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.992 14.228 -0.165 1.00 0.00 N ATOM 2 CA GLU A 1 2.946 14.014 -1.648 1.00 0.00 C ATOM 3 C GLU A 1 4.219 13.426 -2.291 1.00 0.00 C ATOM 4 O GLU A 1 4.121 12.369 -2.875 1.00 0.00 O ATOM 5 CB GLU A 1 2.636 15.348 -2.314 1.00 0.00 C ATOM 6 CG GLU A 1 1.187 15.761 -1.984 1.00 0.00 C ATOM 7 CD GLU A 1 1.010 17.196 -2.481 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.587 18.014 -1.788 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.346 17.373 -3.486 1.00 0.00 O ATOM 0 H1 GLU A 1 2.233 13.680 0.289 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.913 13.914 0.203 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.862 15.238 0.044 1.00 0.00 H new ATOM 0 HA GLU A 1 2.175 13.260 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.332 16.111 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.766 15.267 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.475 15.094 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.002 15.698 -0.912 1.00 0.00 H new ATOM 18 N GLN A 2 5.321 14.124 -2.156 1.00 0.00 N ATOM 19 CA GLN A 2 6.656 13.708 -2.717 1.00 0.00 C ATOM 20 C GLN A 2 7.549 13.195 -1.565 1.00 0.00 C ATOM 21 O GLN A 2 8.102 13.968 -0.802 1.00 0.00 O ATOM 22 CB GLN A 2 7.329 14.954 -3.409 1.00 0.00 C ATOM 23 CG GLN A 2 8.593 14.544 -4.252 1.00 0.00 C ATOM 24 CD GLN A 2 9.405 15.761 -4.731 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.904 16.801 -5.094 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.693 15.699 -4.769 1.00 0.00 N ATOM 0 H GLN A 2 5.354 15.011 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 2 6.527 12.913 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.604 15.445 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.619 15.679 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.233 13.899 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.275 13.961 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.171 14.848 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.233 16.501 -5.093 1.00 0.00 H new ATOM 35 N ALA A 3 7.656 11.896 -1.461 1.00 0.00 N ATOM 36 CA ALA A 3 8.499 11.291 -0.387 1.00 0.00 C ATOM 37 C ALA A 3 9.532 10.365 -1.051 1.00 0.00 C ATOM 38 O ALA A 3 9.251 9.755 -2.069 1.00 0.00 O ATOM 39 CB ALA A 3 7.572 10.519 0.527 1.00 0.00 C ATOM 0 H ALA A 3 7.194 11.226 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 3 9.035 12.041 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.151 10.060 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.835 11.198 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.062 9.743 -0.043 1.00 0.00 H new ATOM 45 N ASN A 4 10.677 10.304 -0.437 1.00 0.00 N ATOM 46 CA ASN A 4 11.811 9.473 -0.913 1.00 0.00 C ATOM 47 C ASN A 4 12.244 8.439 0.139 1.00 0.00 C ATOM 48 O ASN A 4 11.779 8.453 1.256 1.00 0.00 O ATOM 49 CB ASN A 4 12.940 10.481 -1.267 1.00 0.00 C ATOM 50 CG ASN A 4 13.147 11.536 -0.161 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.496 11.599 0.862 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.065 12.428 -0.313 1.00 0.00 N ATOM 0 H ASN A 4 10.880 10.823 0.417 1.00 0.00 H new ATOM 0 HA ASN A 4 11.538 8.874 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.872 9.939 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.697 10.982 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.212 13.136 0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.644 12.426 -1.153 1.00 0.00 H new ATOM 59 N ASP A 5 13.125 7.569 -0.262 1.00 0.00 N ATOM 60 CA ASP A 5 13.683 6.482 0.607 1.00 0.00 C ATOM 61 C ASP A 5 12.744 5.920 1.743 1.00 0.00 C ATOM 62 O ASP A 5 12.954 6.015 2.940 1.00 0.00 O ATOM 63 CB ASP A 5 15.038 7.087 1.139 1.00 0.00 C ATOM 64 CG ASP A 5 14.866 8.551 1.524 1.00 0.00 C ATOM 65 OD1 ASP A 5 14.519 8.738 2.671 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.089 9.373 0.647 1.00 0.00 O ATOM 0 H ASP A 5 13.504 7.564 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 5 13.814 5.569 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.381 6.518 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.807 6.997 0.372 1.00 0.00 H new ATOM 71 N VAL A 6 11.691 5.310 1.259 1.00 0.00 N ATOM 72 CA VAL A 6 10.633 4.682 2.138 1.00 0.00 C ATOM 73 C VAL A 6 10.567 3.132 1.982 1.00 0.00 C ATOM 74 O VAL A 6 10.120 2.635 0.964 1.00 0.00 O ATOM 75 CB VAL A 6 9.261 5.313 1.772 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.197 4.950 2.824 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.405 6.839 1.709 1.00 0.00 C ATOM 0 H VAL A 6 11.508 5.214 0.260 1.00 0.00 H new ATOM 0 HA VAL A 6 10.889 4.878 3.179 1.00 0.00 H new ATOM 0 HB VAL A 6 8.946 4.924 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.244 5.402 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.085 3.867 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.507 5.324 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.444 7.285 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.732 7.214 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.142 7.104 0.951 1.00 0.00 H new ATOM 87 N ARG A 7 11.020 2.433 2.993 1.00 0.00 N ATOM 88 CA ARG A 7 11.033 0.922 3.013 1.00 0.00 C ATOM 89 C ARG A 7 9.796 0.242 2.385 1.00 0.00 C ATOM 90 O ARG A 7 8.709 0.266 2.941 1.00 0.00 O ATOM 91 CB ARG A 7 11.172 0.471 4.464 1.00 0.00 C ATOM 92 CG ARG A 7 11.392 -1.080 4.516 1.00 0.00 C ATOM 93 CD ARG A 7 11.185 -1.530 5.940 1.00 0.00 C ATOM 94 NE ARG A 7 12.173 -0.778 6.785 1.00 0.00 N ATOM 95 CZ ARG A 7 12.698 -1.322 7.813 1.00 0.00 C ATOM 96 NH1 ARG A 7 11.889 -1.646 8.733 1.00 0.00 N ATOM 97 NH2 ARG A 7 13.953 -1.507 7.880 1.00 0.00 N ATOM 0 H ARG A 7 11.397 2.857 3.840 1.00 0.00 H new ATOM 0 HA ARG A 7 11.873 0.613 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.011 0.983 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.278 0.740 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.693 -1.587 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.396 -1.334 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.165 -1.325 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.339 -2.605 6.031 1.00 0.00 H new ATOM 0 HE ARG A 7 12.427 0.178 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.891 -1.467 8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.236 -2.086 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.553 -1.220 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.361 -1.943 8.707 1.00 0.00 H new ATOM 111 N ALA A 8 9.990 -0.346 1.238 1.00 0.00 N ATOM 112 CA ALA A 8 8.833 -1.027 0.568 1.00 0.00 C ATOM 113 C ALA A 8 9.048 -2.548 0.449 1.00 0.00 C ATOM 114 O ALA A 8 10.068 -2.959 -0.065 1.00 0.00 O ATOM 115 CB ALA A 8 8.661 -0.374 -0.819 1.00 0.00 C ATOM 0 H ALA A 8 10.878 -0.388 0.739 1.00 0.00 H new ATOM 0 HA ALA A 8 7.930 -0.903 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.827 -0.843 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.461 0.691 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.573 -0.508 -1.400 1.00 0.00 H new ATOM 121 N THR A 9 8.094 -3.305 0.932 1.00 0.00 N ATOM 122 CA THR A 9 8.142 -4.815 0.890 1.00 0.00 C ATOM 123 C THR A 9 6.831 -5.383 0.331 1.00 0.00 C ATOM 124 O THR A 9 5.849 -4.672 0.274 1.00 0.00 O ATOM 125 CB THR A 9 8.370 -5.417 2.316 1.00 0.00 C ATOM 126 OG1 THR A 9 8.092 -6.805 2.166 1.00 0.00 O ATOM 127 CG2 THR A 9 7.310 -4.980 3.334 1.00 0.00 C ATOM 0 H THR A 9 7.252 -2.932 1.370 1.00 0.00 H new ATOM 0 HA THR A 9 8.975 -5.090 0.243 1.00 0.00 H new ATOM 0 HB THR A 9 9.363 -5.123 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.215 -7.258 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.527 -5.432 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.323 -3.894 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.325 -5.302 2.995 1.00 0.00 H new ATOM 135 N TYR A 10 6.893 -6.635 -0.047 1.00 0.00 N ATOM 136 CA TYR A 10 5.711 -7.349 -0.612 1.00 0.00 C ATOM 137 C TYR A 10 5.440 -8.713 0.114 1.00 0.00 C ATOM 138 O TYR A 10 6.311 -9.287 0.740 1.00 0.00 O ATOM 139 CB TYR A 10 5.960 -7.595 -2.136 1.00 0.00 C ATOM 140 CG TYR A 10 6.942 -8.772 -2.285 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.436 -10.057 -2.255 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.306 -8.597 -2.407 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.269 -11.152 -2.334 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.136 -9.703 -2.489 1.00 0.00 C ATOM 145 CZ TYR A 10 8.623 -10.976 -2.449 1.00 0.00 C ATOM 146 OH TYR A 10 9.476 -12.057 -2.497 1.00 0.00 O ATOM 0 H TYR A 10 7.737 -7.205 0.015 1.00 0.00 H new ATOM 0 HA TYR A 10 4.828 -6.728 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.021 -7.818 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.369 -6.699 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.370 -10.206 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.724 -7.602 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.855 -12.149 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.202 -9.562 -2.586 1.00 0.00 H new ATOM 0 HH TYR A 10 9.967 -12.049 -3.345 1.00 0.00 H new ATOM 156 N HIS A 11 4.227 -9.183 -0.002 1.00 0.00 N ATOM 157 CA HIS A 11 3.739 -10.483 0.606 1.00 0.00 C ATOM 158 C HIS A 11 2.567 -11.091 -0.224 1.00 0.00 C ATOM 159 O HIS A 11 2.316 -10.646 -1.320 1.00 0.00 O ATOM 160 CB HIS A 11 3.317 -10.177 2.084 1.00 0.00 C ATOM 161 CG HIS A 11 2.495 -8.891 2.161 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.973 -7.717 1.938 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.166 -8.668 2.457 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.044 -6.825 2.077 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.900 -7.376 2.401 1.00 0.00 N ATOM 0 H HIS A 11 3.501 -8.694 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 11 4.530 -11.233 0.595 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.735 -11.009 2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.206 -10.083 2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.448 -9.438 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.193 -5.764 1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.008 -6.912 2.571 1.00 0.00 H new ATOM 173 N TYR A 12 1.874 -12.096 0.271 1.00 0.00 N ATOM 174 CA TYR A 12 0.712 -12.705 -0.513 1.00 0.00 C ATOM 175 C TYR A 12 -0.682 -12.426 0.147 1.00 0.00 C ATOM 176 O TYR A 12 -1.021 -12.976 1.179 1.00 0.00 O ATOM 177 CB TYR A 12 0.943 -14.243 -0.638 1.00 0.00 C ATOM 178 CG TYR A 12 1.669 -14.565 -1.961 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.838 -13.919 -2.309 1.00 0.00 C ATOM 180 CD2 TYR A 12 1.159 -15.512 -2.829 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.486 -14.210 -3.493 1.00 0.00 C ATOM 182 CE2 TYR A 12 1.812 -15.801 -4.015 1.00 0.00 C ATOM 183 CZ TYR A 12 2.975 -15.155 -4.351 1.00 0.00 C ATOM 184 OH TYR A 12 3.617 -15.465 -5.532 1.00 0.00 O ATOM 0 H TYR A 12 2.052 -12.528 1.178 1.00 0.00 H new ATOM 0 HA TYR A 12 0.690 -12.234 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.534 -14.600 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.013 -14.766 -0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.252 -13.175 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.245 -16.030 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.399 -13.692 -3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.401 -16.543 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 12 3.110 -16.156 -6.008 1.00 0.00 H new ATOM 194 N TYR A 13 -1.465 -11.573 -0.483 1.00 0.00 N ATOM 195 CA TYR A 13 -2.823 -11.225 0.085 1.00 0.00 C ATOM 196 C TYR A 13 -4.138 -11.502 -0.748 1.00 0.00 C ATOM 197 O TYR A 13 -4.919 -10.615 -1.046 1.00 0.00 O ATOM 198 CB TYR A 13 -2.646 -9.735 0.473 1.00 0.00 C ATOM 199 CG TYR A 13 -3.421 -9.479 1.757 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.939 -9.965 2.961 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.603 -8.780 1.733 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.642 -9.753 4.129 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.293 -8.573 2.899 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.827 -9.056 4.090 1.00 0.00 C ATOM 205 OH TYR A 13 -5.584 -8.863 5.222 1.00 0.00 O ATOM 0 H TYR A 13 -1.229 -11.105 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.047 -11.917 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.590 -9.502 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.011 -9.089 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.008 -10.513 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.987 -8.395 0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.264 -10.132 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.220 -8.019 2.877 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.386 -8.347 4.995 1.00 0.00 H new ATOM 215 N ARG A 14 -4.306 -12.773 -1.043 1.00 0.00 N ATOM 216 CA ARG A 14 -5.479 -13.320 -1.838 1.00 0.00 C ATOM 217 C ARG A 14 -6.167 -12.298 -2.772 1.00 0.00 C ATOM 218 O ARG A 14 -7.371 -12.149 -2.818 1.00 0.00 O ATOM 219 CB ARG A 14 -6.552 -13.919 -0.849 1.00 0.00 C ATOM 220 CG ARG A 14 -7.095 -12.911 0.214 1.00 0.00 C ATOM 221 CD ARG A 14 -6.128 -12.766 1.374 1.00 0.00 C ATOM 222 NE ARG A 14 -6.883 -12.073 2.468 1.00 0.00 N ATOM 223 CZ ARG A 14 -6.592 -12.352 3.690 1.00 0.00 C ATOM 224 NH1 ARG A 14 -6.623 -13.575 4.029 1.00 0.00 N ATOM 225 NH2 ARG A 14 -6.272 -11.456 4.534 1.00 0.00 N ATOM 0 H ARG A 14 -3.647 -13.496 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.058 -14.085 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.391 -14.299 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.113 -14.771 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.257 -11.939 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.062 -13.253 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.770 -13.741 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.252 -12.188 1.080 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.612 -11.394 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.871 -14.288 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.400 -13.844 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.240 -10.477 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.048 -11.717 5.494 1.00 0.00 H new ATOM 239 N PRO A 15 -5.319 -11.634 -3.529 1.00 0.00 N ATOM 240 CA PRO A 15 -5.601 -10.271 -4.054 1.00 0.00 C ATOM 241 C PRO A 15 -6.749 -10.296 -5.063 1.00 0.00 C ATOM 242 O PRO A 15 -7.890 -10.128 -4.701 1.00 0.00 O ATOM 243 CB PRO A 15 -4.255 -9.858 -4.627 1.00 0.00 C ATOM 244 CG PRO A 15 -3.674 -11.219 -5.137 1.00 0.00 C ATOM 245 CD PRO A 15 -3.991 -12.148 -3.974 1.00 0.00 C ATOM 0 HA PRO A 15 -5.952 -9.554 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.362 -9.134 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.615 -9.401 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.149 -11.545 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.603 -11.159 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.039 -13.192 -4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.242 -12.085 -3.184 1.00 0.00 H new ATOM 253 N ALA A 16 -6.444 -10.513 -6.313 1.00 0.00 N ATOM 254 CA ALA A 16 -7.501 -10.559 -7.365 1.00 0.00 C ATOM 255 C ALA A 16 -8.391 -11.824 -7.221 1.00 0.00 C ATOM 256 O ALA A 16 -9.399 -11.908 -7.891 1.00 0.00 O ATOM 257 CB ALA A 16 -6.789 -10.528 -8.744 1.00 0.00 C ATOM 0 H ALA A 16 -5.495 -10.662 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.168 -9.703 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.534 -10.560 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.205 -9.612 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.127 -11.390 -8.831 1.00 0.00 H new ATOM 263 N GLN A 17 -8.030 -12.749 -6.368 1.00 0.00 N ATOM 264 CA GLN A 17 -8.833 -14.004 -6.176 1.00 0.00 C ATOM 265 C GLN A 17 -10.373 -13.803 -6.217 1.00 0.00 C ATOM 266 O GLN A 17 -11.061 -14.406 -7.015 1.00 0.00 O ATOM 267 CB GLN A 17 -8.413 -14.635 -4.830 1.00 0.00 C ATOM 268 CG GLN A 17 -8.974 -16.090 -4.822 1.00 0.00 C ATOM 269 CD GLN A 17 -8.913 -16.710 -3.437 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.873 -16.926 -2.856 1.00 0.00 O ATOM 271 NE2 GLN A 17 -10.027 -17.019 -2.860 1.00 0.00 N ATOM 0 H GLN A 17 -7.196 -12.689 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.616 -14.659 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.328 -14.638 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.812 -14.062 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.006 -16.084 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.404 -16.703 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.913 -16.844 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.021 -17.438 -1.930 1.00 0.00 H new ATOM 280 N ASN A 18 -10.867 -12.946 -5.356 1.00 0.00 N ATOM 281 CA ASN A 18 -12.354 -12.646 -5.277 1.00 0.00 C ATOM 282 C ASN A 18 -12.625 -11.413 -6.176 1.00 0.00 C ATOM 283 O ASN A 18 -13.426 -10.569 -5.834 1.00 0.00 O ATOM 284 CB ASN A 18 -12.640 -12.388 -3.743 1.00 0.00 C ATOM 285 CG ASN A 18 -14.100 -12.237 -3.292 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.489 -12.788 -2.290 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.982 -11.536 -3.921 1.00 0.00 N ATOM 0 H ASN A 18 -10.300 -12.426 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.007 -13.444 -5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.201 -13.211 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.107 -11.483 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.935 -11.476 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.726 -11.042 -4.776 1.00 0.00 H new ATOM 294 N ASN A 19 -11.961 -11.338 -7.305 1.00 0.00 N ATOM 295 CA ASN A 19 -12.119 -10.179 -8.261 1.00 0.00 C ATOM 296 C ASN A 19 -11.613 -8.952 -7.460 1.00 0.00 C ATOM 297 O ASN A 19 -12.206 -7.893 -7.473 1.00 0.00 O ATOM 298 CB ASN A 19 -13.627 -10.015 -8.677 1.00 0.00 C ATOM 299 CG ASN A 19 -13.918 -8.701 -9.428 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.415 -8.404 -10.490 1.00 0.00 O ATOM 301 ND2 ASN A 19 -14.747 -7.857 -8.894 1.00 0.00 N ATOM 0 H ASN A 19 -11.298 -12.047 -7.617 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.565 -10.314 -9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.915 -10.856 -9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.249 -10.059 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.956 -6.978 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.190 -8.073 -8.001 1.00 0.00 H new ATOM 308 N TRP A 20 -10.512 -9.190 -6.795 1.00 0.00 N ATOM 309 CA TRP A 20 -9.788 -8.215 -5.933 1.00 0.00 C ATOM 310 C TRP A 20 -10.531 -8.169 -4.576 1.00 0.00 C ATOM 311 O TRP A 20 -11.622 -7.658 -4.451 1.00 0.00 O ATOM 312 CB TRP A 20 -9.774 -6.868 -6.552 1.00 0.00 C ATOM 313 CG TRP A 20 -9.022 -6.766 -7.920 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.680 -6.622 -9.098 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.673 -6.729 -8.166 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.707 -6.497 -9.991 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.471 -6.546 -9.521 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.553 -6.816 -7.347 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -6.191 -6.443 -10.037 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.286 -6.710 -7.875 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.106 -6.524 -9.212 1.00 0.00 C ATOM 0 H TRP A 20 -10.053 -10.101 -6.823 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.750 -8.523 -5.803 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.804 -6.543 -6.698 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.316 -6.170 -5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.746 -6.612 -9.269 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.901 -6.370 -10.984 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.678 -6.968 -6.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -6.050 -6.298 -11.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.427 -6.775 -7.223 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.109 -6.441 -9.618 1.00 0.00 H new ATOM 332 N ASP A 21 -9.885 -8.713 -3.608 1.00 0.00 N ATOM 333 CA ASP A 21 -10.379 -8.818 -2.207 1.00 0.00 C ATOM 334 C ASP A 21 -10.485 -7.443 -1.513 1.00 0.00 C ATOM 335 O ASP A 21 -9.860 -7.201 -0.505 1.00 0.00 O ATOM 336 CB ASP A 21 -9.379 -9.788 -1.550 1.00 0.00 C ATOM 337 CG ASP A 21 -9.978 -10.533 -0.375 1.00 0.00 C ATOM 338 OD1 ASP A 21 -11.067 -11.038 -0.594 1.00 0.00 O ATOM 339 OD2 ASP A 21 -9.315 -10.576 0.655 1.00 0.00 O ATOM 0 H ASP A 21 -8.960 -9.124 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.401 -9.189 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.033 -10.506 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.504 -9.231 -1.215 1.00 0.00 H new ATOM 344 N LEU A 22 -11.304 -6.577 -2.072 1.00 0.00 N ATOM 345 CA LEU A 22 -11.540 -5.190 -1.567 1.00 0.00 C ATOM 346 C LEU A 22 -12.623 -5.004 -0.515 1.00 0.00 C ATOM 347 O LEU A 22 -12.424 -4.286 0.444 1.00 0.00 O ATOM 348 CB LEU A 22 -11.917 -4.278 -2.713 1.00 0.00 C ATOM 349 CG LEU A 22 -10.811 -4.011 -3.720 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.940 -2.527 -4.082 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.374 -4.294 -3.236 1.00 0.00 C ATOM 0 H LEU A 22 -11.847 -6.796 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.590 -4.950 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.767 -4.714 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.250 -3.325 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.946 -4.698 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.171 -2.261 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.924 -2.342 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.817 -1.921 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.669 -4.068 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.152 -3.670 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.284 -5.344 -2.959 1.00 0.00 H new ATOM 363 N GLY A 23 -13.743 -5.636 -0.725 1.00 0.00 N ATOM 364 CA GLY A 23 -14.850 -5.493 0.277 1.00 0.00 C ATOM 365 C GLY A 23 -14.837 -6.725 1.169 1.00 0.00 C ATOM 366 O GLY A 23 -15.851 -7.092 1.734 1.00 0.00 O ATOM 0 H GLY A 23 -13.944 -6.234 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.712 -4.590 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.811 -5.398 -0.228 1.00 0.00 H new ATOM 370 N ALA A 24 -13.679 -7.319 1.282 1.00 0.00 N ATOM 371 CA ALA A 24 -13.519 -8.536 2.117 1.00 0.00 C ATOM 372 C ALA A 24 -13.143 -8.172 3.590 1.00 0.00 C ATOM 373 O ALA A 24 -12.362 -7.264 3.835 1.00 0.00 O ATOM 374 CB ALA A 24 -12.443 -9.401 1.414 1.00 0.00 C ATOM 0 H ALA A 24 -12.825 -7.004 0.821 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.452 -9.093 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.281 -10.315 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.780 -9.656 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.510 -8.842 1.352 1.00 0.00 H new ATOM 380 N PRO A 25 -13.726 -8.902 4.526 1.00 0.00 N ATOM 381 CA PRO A 25 -13.777 -8.527 5.976 1.00 0.00 C ATOM 382 C PRO A 25 -12.538 -7.842 6.612 1.00 0.00 C ATOM 383 O PRO A 25 -12.643 -6.790 7.206 1.00 0.00 O ATOM 384 CB PRO A 25 -14.132 -9.841 6.717 1.00 0.00 C ATOM 385 CG PRO A 25 -14.269 -10.941 5.632 1.00 0.00 C ATOM 386 CD PRO A 25 -14.405 -10.212 4.281 1.00 0.00 C ATOM 0 HA PRO A 25 -14.511 -7.727 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.356 -10.102 7.436 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.061 -9.731 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.398 -11.596 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.140 -11.568 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.927 -10.768 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.450 -10.077 4.000 1.00 0.00 H new ATOM 394 N ALA A 26 -11.393 -8.464 6.481 1.00 0.00 N ATOM 395 CA ALA A 26 -10.118 -7.908 7.054 1.00 0.00 C ATOM 396 C ALA A 26 -9.312 -6.971 6.112 1.00 0.00 C ATOM 397 O ALA A 26 -8.192 -6.600 6.419 1.00 0.00 O ATOM 398 CB ALA A 26 -9.264 -9.138 7.506 1.00 0.00 C ATOM 0 H ALA A 26 -11.282 -9.352 5.992 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.376 -7.250 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.323 -8.791 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.814 -9.707 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.060 -9.775 6.645 1.00 0.00 H new ATOM 404 N VAL A 27 -9.919 -6.619 5.011 1.00 0.00 N ATOM 405 CA VAL A 27 -9.280 -5.716 3.990 1.00 0.00 C ATOM 406 C VAL A 27 -9.936 -4.338 3.932 1.00 0.00 C ATOM 407 O VAL A 27 -9.322 -3.300 4.063 1.00 0.00 O ATOM 408 CB VAL A 27 -9.413 -6.332 2.588 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.524 -5.521 1.620 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.078 -7.853 2.552 1.00 0.00 C ATOM 0 H VAL A 27 -10.860 -6.926 4.763 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.238 -5.607 4.291 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.456 -6.272 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.602 -5.940 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.855 -4.482 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.487 -5.567 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.191 -8.226 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.051 -8.007 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.757 -8.391 3.213 1.00 0.00 H new ATOM 420 N SER A 28 -11.211 -4.477 3.706 1.00 0.00 N ATOM 421 CA SER A 28 -12.165 -3.340 3.580 1.00 0.00 C ATOM 422 C SER A 28 -11.576 -2.010 3.015 1.00 0.00 C ATOM 423 O SER A 28 -11.309 -1.046 3.703 1.00 0.00 O ATOM 424 CB SER A 28 -12.802 -3.106 4.976 1.00 0.00 C ATOM 425 OG SER A 28 -11.722 -2.839 5.855 1.00 0.00 O ATOM 0 H SER A 28 -11.655 -5.389 3.597 1.00 0.00 H new ATOM 0 HA SER A 28 -12.899 -3.630 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.501 -2.270 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.363 -3.982 5.301 1.00 0.00 H new ATOM 0 HG SER A 28 -11.124 -2.179 5.447 1.00 0.00 H new ATOM 431 N ALA A 29 -11.412 -2.033 1.727 1.00 0.00 N ATOM 432 CA ALA A 29 -10.857 -0.858 1.014 1.00 0.00 C ATOM 433 C ALA A 29 -11.815 0.348 0.902 1.00 0.00 C ATOM 434 O ALA A 29 -12.952 0.336 1.328 1.00 0.00 O ATOM 435 CB ALA A 29 -10.424 -1.399 -0.356 1.00 0.00 C ATOM 0 H ALA A 29 -11.642 -2.827 1.130 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.026 -0.434 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.000 -0.589 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.675 -2.179 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.289 -1.814 -0.873 1.00 0.00 H new ATOM 441 N TYR A 30 -11.294 1.378 0.294 1.00 0.00 N ATOM 442 CA TYR A 30 -12.023 2.665 0.058 1.00 0.00 C ATOM 443 C TYR A 30 -12.736 2.706 -1.297 1.00 0.00 C ATOM 444 O TYR A 30 -13.941 2.839 -1.355 1.00 0.00 O ATOM 445 CB TYR A 30 -11.020 3.847 0.118 1.00 0.00 C ATOM 446 CG TYR A 30 -11.351 4.878 1.217 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.442 5.697 0.991 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.624 5.055 2.382 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.801 6.669 1.899 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.994 6.043 3.293 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.087 6.849 3.046 1.00 0.00 C ATOM 452 OH TYR A 30 -12.480 7.829 3.926 1.00 0.00 O ATOM 0 H TYR A 30 -10.341 1.381 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.780 2.745 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.018 3.455 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.005 4.350 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.022 5.573 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.769 4.427 2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.658 7.295 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.421 6.179 4.199 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.876 7.837 4.698 1.00 0.00 H new ATOM 462 N CYS A 31 -11.998 2.572 -2.357 1.00 0.00 N ATOM 463 CA CYS A 31 -12.692 2.624 -3.669 1.00 0.00 C ATOM 464 C CYS A 31 -13.433 1.329 -4.024 1.00 0.00 C ATOM 465 O CYS A 31 -13.878 1.152 -5.135 1.00 0.00 O ATOM 466 CB CYS A 31 -11.582 3.035 -4.640 1.00 0.00 C ATOM 467 SG CYS A 31 -10.813 4.570 -4.066 1.00 0.00 S ATOM 0 H CYS A 31 -10.988 2.434 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.518 3.335 -3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.834 2.245 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.992 3.174 -5.640 1.00 0.00 H new ATOM 472 N ALA A 32 -13.578 0.436 -3.077 1.00 0.00 N ATOM 473 CA ALA A 32 -14.309 -0.843 -3.375 1.00 0.00 C ATOM 474 C ALA A 32 -15.734 -0.486 -3.860 1.00 0.00 C ATOM 475 O ALA A 32 -16.234 -0.976 -4.849 1.00 0.00 O ATOM 476 CB ALA A 32 -14.348 -1.672 -2.076 1.00 0.00 C ATOM 0 H ALA A 32 -13.229 0.530 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.816 -1.425 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.873 -2.609 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.330 -1.884 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.868 -1.109 -1.301 1.00 0.00 H new ATOM 482 N THR A 33 -16.331 0.385 -3.105 1.00 0.00 N ATOM 483 CA THR A 33 -17.718 0.891 -3.365 1.00 0.00 C ATOM 484 C THR A 33 -17.946 1.463 -4.765 1.00 0.00 C ATOM 485 O THR A 33 -19.055 1.443 -5.264 1.00 0.00 O ATOM 486 CB THR A 33 -18.022 1.969 -2.341 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.622 1.348 -1.133 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.521 2.133 -2.130 1.00 0.00 C ATOM 0 H THR A 33 -15.898 0.791 -2.275 1.00 0.00 H new ATOM 0 HA THR A 33 -18.382 0.030 -3.288 1.00 0.00 H new ATOM 0 HB THR A 33 -17.566 2.916 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.773 1.962 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.701 2.913 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.993 2.411 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.944 1.193 -1.776 1.00 0.00 H new ATOM 496 N TRP A 34 -16.878 1.956 -5.345 1.00 0.00 N ATOM 497 CA TRP A 34 -16.944 2.568 -6.716 1.00 0.00 C ATOM 498 C TRP A 34 -16.102 1.973 -7.862 1.00 0.00 C ATOM 499 O TRP A 34 -16.582 2.003 -8.978 1.00 0.00 O ATOM 500 CB TRP A 34 -16.626 4.055 -6.483 1.00 0.00 C ATOM 501 CG TRP A 34 -17.751 4.616 -5.593 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.084 4.645 -5.883 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.564 5.132 -4.373 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.610 5.184 -4.793 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.765 5.510 -3.824 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.378 5.298 -3.691 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.779 6.061 -2.564 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.397 5.852 -2.426 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.599 6.232 -1.866 1.00 0.00 C ATOM 0 H TRP A 34 -15.949 1.962 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.935 2.352 -7.114 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.656 4.172 -6.000 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.577 4.593 -7.430 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.586 4.311 -6.779 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.614 5.340 -4.704 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.443 4.998 -4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.716 6.361 -2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.476 5.987 -1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.618 6.665 -0.877 1.00 0.00 H new ATOM 520 N ASP A 35 -14.922 1.456 -7.637 1.00 0.00 N ATOM 521 CA ASP A 35 -14.087 0.875 -8.744 1.00 0.00 C ATOM 522 C ASP A 35 -14.316 -0.653 -8.910 1.00 0.00 C ATOM 523 O ASP A 35 -14.024 -1.228 -9.947 1.00 0.00 O ATOM 524 CB ASP A 35 -12.592 1.139 -8.425 1.00 0.00 C ATOM 525 CG ASP A 35 -12.183 2.599 -8.221 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.039 3.464 -8.206 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.981 2.771 -8.082 1.00 0.00 O ATOM 0 H ASP A 35 -14.489 1.409 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.379 1.353 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.333 0.583 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.992 0.727 -9.237 1.00 0.00 H new ATOM 532 N ALA A 36 -14.823 -1.269 -7.863 1.00 0.00 N ATOM 533 CA ALA A 36 -15.100 -2.749 -7.885 1.00 0.00 C ATOM 534 C ALA A 36 -15.874 -3.196 -9.137 1.00 0.00 C ATOM 535 O ALA A 36 -15.769 -4.337 -9.550 1.00 0.00 O ATOM 536 CB ALA A 36 -15.888 -3.111 -6.633 1.00 0.00 C ATOM 0 H ALA A 36 -15.059 -0.806 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.143 -3.269 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.098 -4.181 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.304 -2.855 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.827 -2.557 -6.621 1.00 0.00 H new ATOM 542 N SER A 37 -16.610 -2.269 -9.681 1.00 0.00 N ATOM 543 CA SER A 37 -17.434 -2.506 -10.907 1.00 0.00 C ATOM 544 C SER A 37 -16.504 -2.687 -12.116 1.00 0.00 C ATOM 545 O SER A 37 -16.582 -3.684 -12.807 1.00 0.00 O ATOM 546 CB SER A 37 -18.345 -1.293 -11.124 1.00 0.00 C ATOM 547 OG SER A 37 -17.419 -0.218 -11.295 1.00 0.00 O ATOM 0 H SER A 37 -16.679 -1.320 -9.314 1.00 0.00 H new ATOM 0 HA SER A 37 -18.040 -3.404 -10.789 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.982 -1.419 -11.999 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.004 -1.126 -10.272 1.00 0.00 H new ATOM 0 HG SER A 37 -17.911 0.617 -11.444 1.00 0.00 H new ATOM 553 N LYS A 38 -15.653 -1.710 -12.324 1.00 0.00 N ATOM 554 CA LYS A 38 -14.685 -1.759 -13.473 1.00 0.00 C ATOM 555 C LYS A 38 -14.078 -3.155 -13.717 1.00 0.00 C ATOM 556 O LYS A 38 -13.611 -3.778 -12.789 1.00 0.00 O ATOM 557 CB LYS A 38 -13.535 -0.742 -13.217 1.00 0.00 C ATOM 558 CG LYS A 38 -14.040 0.704 -13.349 1.00 0.00 C ATOM 559 CD LYS A 38 -14.344 0.969 -14.848 1.00 0.00 C ATOM 560 CE LYS A 38 -14.941 2.351 -15.002 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.674 2.361 -16.306 1.00 0.00 N ATOM 0 H LYS A 38 -15.585 -0.874 -11.744 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.253 -1.504 -14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.122 -0.897 -12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.727 -0.915 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.936 0.852 -12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.290 1.405 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.430 0.888 -15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.035 0.217 -15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.617 2.575 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.161 3.113 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.103 3.296 -16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.009 2.157 -17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.420 1.636 -16.291 1.00 0.00 H new ATOM 575 N PRO A 39 -14.071 -3.631 -14.940 1.00 0.00 N ATOM 576 CA PRO A 39 -13.577 -5.011 -15.218 1.00 0.00 C ATOM 577 C PRO A 39 -12.117 -5.239 -14.758 1.00 0.00 C ATOM 578 O PRO A 39 -11.413 -4.348 -14.305 1.00 0.00 O ATOM 579 CB PRO A 39 -13.795 -5.159 -16.739 1.00 0.00 C ATOM 580 CG PRO A 39 -13.682 -3.701 -17.243 1.00 0.00 C ATOM 581 CD PRO A 39 -14.501 -2.937 -16.188 1.00 0.00 C ATOM 0 HA PRO A 39 -14.107 -5.778 -14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.044 -5.804 -17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.769 -5.592 -16.968 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.647 -3.361 -17.282 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.094 -3.582 -18.245 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.263 -1.873 -16.172 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.574 -3.021 -16.358 1.00 0.00 H new ATOM 589 N LEU A 40 -11.667 -6.459 -14.877 1.00 0.00 N ATOM 590 CA LEU A 40 -10.263 -6.711 -14.449 1.00 0.00 C ATOM 591 C LEU A 40 -9.225 -6.082 -15.368 1.00 0.00 C ATOM 592 O LEU A 40 -8.294 -5.485 -14.873 1.00 0.00 O ATOM 593 CB LEU A 40 -9.985 -8.223 -14.372 1.00 0.00 C ATOM 594 CG LEU A 40 -9.585 -8.541 -12.927 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.824 -8.885 -12.094 1.00 0.00 C ATOM 596 CD2 LEU A 40 -8.589 -9.685 -12.959 1.00 0.00 C ATOM 0 H LEU A 40 -12.185 -7.261 -15.236 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.169 -6.245 -13.468 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.870 -8.791 -14.660 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.188 -8.503 -15.061 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.121 -7.675 -12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.524 -9.108 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.509 -8.037 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.322 -9.754 -12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.287 -9.933 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.051 -10.557 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.713 -9.389 -13.536 1.00 0.00 H new ATOM 608 N SER A 41 -9.401 -6.243 -16.658 1.00 0.00 N ATOM 609 CA SER A 41 -8.447 -5.665 -17.674 1.00 0.00 C ATOM 610 C SER A 41 -7.792 -4.372 -17.157 1.00 0.00 C ATOM 611 O SER A 41 -6.616 -4.314 -16.851 1.00 0.00 O ATOM 612 CB SER A 41 -9.240 -5.399 -19.001 1.00 0.00 C ATOM 613 OG SER A 41 -10.260 -4.436 -18.717 1.00 0.00 O ATOM 0 H SER A 41 -10.181 -6.761 -17.063 1.00 0.00 H new ATOM 0 HA SER A 41 -7.641 -6.375 -17.859 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.571 -5.029 -19.778 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.681 -6.323 -19.374 1.00 0.00 H new ATOM 0 HG SER A 41 -10.771 -4.250 -19.533 1.00 0.00 H new ATOM 619 N TRP A 42 -8.616 -3.368 -17.065 1.00 0.00 N ATOM 620 CA TRP A 42 -8.177 -2.029 -16.583 1.00 0.00 C ATOM 621 C TRP A 42 -7.553 -2.122 -15.187 1.00 0.00 C ATOM 622 O TRP A 42 -6.430 -1.712 -14.968 1.00 0.00 O ATOM 623 CB TRP A 42 -9.407 -1.093 -16.546 1.00 0.00 C ATOM 624 CG TRP A 42 -8.979 0.319 -16.115 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.419 1.232 -16.951 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.090 0.864 -14.880 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.230 2.264 -16.170 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.597 2.150 -14.910 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.588 0.363 -13.694 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.599 2.929 -13.780 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.594 1.139 -12.551 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.098 2.426 -12.594 1.00 0.00 C ATOM 0 H TRP A 42 -9.604 -3.421 -17.311 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.420 -1.636 -17.261 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.876 -1.056 -17.529 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.151 -1.484 -15.852 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.187 1.131 -18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.814 3.125 -16.524 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.976 -0.644 -13.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.210 3.936 -13.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.986 0.740 -11.627 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.100 3.038 -11.704 1.00 0.00 H new ATOM 643 N ARG A 43 -8.318 -2.683 -14.291 1.00 0.00 N ATOM 644 CA ARG A 43 -7.846 -2.829 -12.878 1.00 0.00 C ATOM 645 C ARG A 43 -6.491 -3.523 -12.663 1.00 0.00 C ATOM 646 O ARG A 43 -5.779 -3.109 -11.770 1.00 0.00 O ATOM 647 CB ARG A 43 -8.968 -3.521 -12.182 1.00 0.00 C ATOM 648 CG ARG A 43 -8.785 -3.498 -10.641 1.00 0.00 C ATOM 649 CD ARG A 43 -10.179 -3.551 -9.954 1.00 0.00 C ATOM 650 NE ARG A 43 -11.155 -4.179 -10.920 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.318 -4.593 -10.621 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.237 -3.775 -10.342 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.527 -5.844 -10.636 1.00 0.00 N ATOM 0 H ARG A 43 -9.253 -3.049 -14.474 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.621 -1.843 -12.472 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.911 -3.041 -12.444 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.029 -4.553 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.178 -4.346 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.253 -2.595 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.128 -4.132 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.507 -2.548 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.856 -4.279 -11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.049 -2.773 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.168 -4.116 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.772 -6.484 -10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.450 -6.210 -10.401 1.00 0.00 H new ATOM 667 N SER A 44 -6.136 -4.555 -13.404 1.00 0.00 N ATOM 668 CA SER A 44 -4.766 -5.179 -13.156 1.00 0.00 C ATOM 669 C SER A 44 -3.811 -4.280 -13.995 1.00 0.00 C ATOM 670 O SER A 44 -2.745 -3.930 -13.534 1.00 0.00 O ATOM 671 CB SER A 44 -4.655 -6.659 -13.676 1.00 0.00 C ATOM 672 OG SER A 44 -4.366 -6.608 -15.073 1.00 0.00 O ATOM 0 H SER A 44 -6.698 -4.983 -14.139 1.00 0.00 H new ATOM 0 HA SER A 44 -4.545 -5.226 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.869 -7.194 -13.142 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.586 -7.198 -13.497 1.00 0.00 H new ATOM 0 HG SER A 44 -4.289 -7.520 -15.425 1.00 0.00 H new ATOM 678 N LYS A 45 -4.211 -3.928 -15.213 1.00 0.00 N ATOM 679 CA LYS A 45 -3.408 -3.041 -16.157 1.00 0.00 C ATOM 680 C LYS A 45 -2.798 -1.875 -15.352 1.00 0.00 C ATOM 681 O LYS A 45 -1.615 -1.586 -15.410 1.00 0.00 O ATOM 682 CB LYS A 45 -4.392 -2.576 -17.268 1.00 0.00 C ATOM 683 CG LYS A 45 -3.792 -1.497 -18.194 1.00 0.00 C ATOM 684 CD LYS A 45 -4.286 -0.081 -17.703 1.00 0.00 C ATOM 685 CE LYS A 45 -4.030 1.025 -18.745 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.976 0.825 -19.886 1.00 0.00 N ATOM 0 H LYS A 45 -5.100 -4.233 -15.609 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.571 -3.559 -16.625 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.688 -3.437 -17.867 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.297 -2.185 -16.803 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.703 -1.545 -18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.101 -1.669 -19.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.352 -0.128 -17.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.778 0.175 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.177 2.008 -18.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.999 0.985 -19.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.989 1.679 -20.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.666 0.012 -20.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.932 0.645 -19.517 1.00 0.00 H new ATOM 700 N TYR A 46 -3.665 -1.241 -14.626 1.00 0.00 N ATOM 701 CA TYR A 46 -3.275 -0.104 -13.752 1.00 0.00 C ATOM 702 C TYR A 46 -3.113 -0.462 -12.296 1.00 0.00 C ATOM 703 O TYR A 46 -4.087 -0.490 -11.575 1.00 0.00 O ATOM 704 CB TYR A 46 -4.306 1.073 -13.832 1.00 0.00 C ATOM 705 CG TYR A 46 -3.694 2.382 -14.320 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.475 2.747 -13.766 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.303 3.241 -15.204 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.891 3.944 -14.080 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.707 4.450 -15.518 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.503 4.792 -14.950 1.00 0.00 C ATOM 711 OH TYR A 46 -1.886 5.987 -15.191 1.00 0.00 O ATOM 0 H TYR A 46 -4.659 -1.469 -14.600 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.303 0.196 -14.142 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.119 0.789 -14.500 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.744 1.230 -12.846 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.981 2.077 -13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.247 2.972 -15.654 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.944 4.216 -13.637 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.188 5.125 -16.210 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.448 6.533 -15.779 1.00 0.00 H new ATOM 721 N GLY A 47 -1.888 -0.731 -11.896 1.00 0.00 N ATOM 722 CA GLY A 47 -1.640 -1.083 -10.448 1.00 0.00 C ATOM 723 C GLY A 47 -2.537 -0.180 -9.581 1.00 0.00 C ATOM 724 O GLY A 47 -2.715 0.966 -9.909 1.00 0.00 O ATOM 0 H GLY A 47 -1.061 -0.724 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.867 -2.134 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.590 -0.935 -10.194 1.00 0.00 H new ATOM 728 N TRP A 48 -3.056 -0.697 -8.517 1.00 0.00 N ATOM 729 CA TRP A 48 -3.964 0.027 -7.563 1.00 0.00 C ATOM 730 C TRP A 48 -3.687 -0.359 -6.112 1.00 0.00 C ATOM 731 O TRP A 48 -4.461 -1.020 -5.470 1.00 0.00 O ATOM 732 CB TRP A 48 -5.447 -0.308 -8.067 1.00 0.00 C ATOM 733 CG TRP A 48 -5.896 -1.728 -7.693 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.997 -2.717 -7.577 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.142 -2.185 -7.367 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.713 -3.731 -7.175 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.984 -3.495 -7.023 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.436 -1.689 -7.303 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.994 -4.273 -6.620 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.488 -2.495 -6.898 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.251 -3.807 -6.546 1.00 0.00 C ATOM 0 H TRP A 48 -2.881 -1.663 -8.240 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.804 1.105 -7.564 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.143 0.413 -7.638 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.493 -0.191 -9.150 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.935 -2.682 -7.770 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.304 -4.647 -6.992 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.626 -0.661 -7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.794 -5.299 -6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.491 -2.097 -6.858 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.058 -4.445 -6.218 1.00 0.00 H new ATOM 752 N THR A 49 -2.586 0.049 -5.570 1.00 0.00 N ATOM 753 CA THR A 49 -2.324 -0.356 -4.144 1.00 0.00 C ATOM 754 C THR A 49 -3.003 0.495 -3.067 1.00 0.00 C ATOM 755 O THR A 49 -4.003 1.156 -3.313 1.00 0.00 O ATOM 756 CB THR A 49 -0.787 -0.374 -3.955 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.323 0.911 -4.314 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.114 -1.231 -5.030 1.00 0.00 C ATOM 0 H THR A 49 -1.872 0.623 -6.018 1.00 0.00 H new ATOM 0 HA THR A 49 -2.776 -1.337 -3.997 1.00 0.00 H new ATOM 0 HB THR A 49 -0.576 -0.714 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.651 0.949 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.965 -1.228 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.486 -2.253 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.341 -0.823 -6.015 1.00 0.00 H new ATOM 766 N ALA A 50 -2.479 0.450 -1.877 1.00 0.00 N ATOM 767 CA ALA A 50 -3.092 1.257 -0.793 1.00 0.00 C ATOM 768 C ALA A 50 -2.144 2.428 -0.494 1.00 0.00 C ATOM 769 O ALA A 50 -1.019 2.465 -0.954 1.00 0.00 O ATOM 770 CB ALA A 50 -3.268 0.325 0.418 1.00 0.00 C ATOM 0 H ALA A 50 -1.664 -0.103 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.065 1.669 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.718 0.880 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.916 -0.508 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.295 -0.058 0.727 1.00 0.00 H new ATOM 776 N PHE A 51 -2.620 3.364 0.267 1.00 0.00 N ATOM 777 CA PHE A 51 -1.775 4.539 0.623 1.00 0.00 C ATOM 778 C PHE A 51 -1.124 4.182 1.963 1.00 0.00 C ATOM 779 O PHE A 51 -1.749 3.597 2.834 1.00 0.00 O ATOM 780 CB PHE A 51 -2.695 5.797 0.730 1.00 0.00 C ATOM 781 CG PHE A 51 -2.170 6.737 1.831 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.878 7.233 1.800 1.00 0.00 C ATOM 783 CD2 PHE A 51 -2.993 7.076 2.881 1.00 0.00 C ATOM 784 CE1 PHE A 51 -0.421 8.052 2.810 1.00 0.00 C ATOM 785 CE2 PHE A 51 -2.541 7.893 3.891 1.00 0.00 C ATOM 786 CZ PHE A 51 -1.255 8.381 3.856 1.00 0.00 C ATOM 0 H PHE A 51 -3.561 3.371 0.662 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.007 4.766 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.722 6.321 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.717 5.493 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.224 6.977 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.004 6.697 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.588 8.435 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.195 8.151 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.899 9.022 4.649 1.00 0.00 H new ATOM 796 N CYS A 52 0.124 4.541 2.080 1.00 0.00 N ATOM 797 CA CYS A 52 0.885 4.261 3.335 1.00 0.00 C ATOM 798 C CYS A 52 2.076 5.259 3.336 1.00 0.00 C ATOM 799 O CYS A 52 2.272 5.957 2.358 1.00 0.00 O ATOM 800 CB CYS A 52 1.446 2.803 3.325 1.00 0.00 C ATOM 801 SG CYS A 52 0.558 1.418 2.567 1.00 0.00 S ATOM 0 H CYS A 52 0.656 5.021 1.354 1.00 0.00 H new ATOM 0 HA CYS A 52 0.246 4.368 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.422 2.849 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.619 2.529 4.366 1.00 0.00 H new ATOM 806 N GLY A 53 2.822 5.295 4.411 1.00 0.00 N ATOM 807 CA GLY A 53 4.010 6.228 4.482 1.00 0.00 C ATOM 808 C GLY A 53 3.797 7.553 5.222 1.00 0.00 C ATOM 809 O GLY A 53 2.683 7.918 5.536 1.00 0.00 O ATOM 0 H GLY A 53 2.669 4.726 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.832 5.697 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.328 6.453 3.464 1.00 0.00 H new ATOM 813 N PRO A 54 4.874 8.261 5.482 1.00 0.00 N ATOM 814 CA PRO A 54 4.824 9.497 6.322 1.00 0.00 C ATOM 815 C PRO A 54 3.988 10.623 5.672 1.00 0.00 C ATOM 816 O PRO A 54 3.309 11.365 6.349 1.00 0.00 O ATOM 817 CB PRO A 54 6.306 9.846 6.517 1.00 0.00 C ATOM 818 CG PRO A 54 6.945 9.337 5.197 1.00 0.00 C ATOM 819 CD PRO A 54 6.257 7.972 4.990 1.00 0.00 C ATOM 0 HA PRO A 54 4.314 9.353 7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.456 10.917 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.729 9.350 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.754 10.017 4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.027 9.236 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.265 7.662 3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.739 7.178 5.561 1.00 0.00 H new ATOM 827 N ALA A 55 4.072 10.712 4.372 1.00 0.00 N ATOM 828 CA ALA A 55 3.319 11.758 3.618 1.00 0.00 C ATOM 829 C ALA A 55 2.417 11.108 2.546 1.00 0.00 C ATOM 830 O ALA A 55 2.709 10.042 2.032 1.00 0.00 O ATOM 831 CB ALA A 55 4.363 12.706 2.986 1.00 0.00 C ATOM 0 H ALA A 55 4.639 10.095 3.791 1.00 0.00 H new ATOM 0 HA ALA A 55 2.660 12.320 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.852 13.488 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.966 13.160 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.009 12.140 2.315 1.00 0.00 H new ATOM 837 N GLY A 56 1.356 11.809 2.235 1.00 0.00 N ATOM 838 CA GLY A 56 0.366 11.320 1.211 1.00 0.00 C ATOM 839 C GLY A 56 -1.085 11.564 1.654 1.00 0.00 C ATOM 840 O GLY A 56 -1.704 10.696 2.229 1.00 0.00 O ATOM 0 H GLY A 56 1.126 12.712 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.546 11.825 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.519 10.255 1.038 1.00 0.00 H new ATOM 844 N PRO A 57 -1.615 12.730 1.382 1.00 0.00 N ATOM 845 CA PRO A 57 -3.010 13.063 1.775 1.00 0.00 C ATOM 846 C PRO A 57 -4.059 12.506 0.782 1.00 0.00 C ATOM 847 O PRO A 57 -4.320 13.046 -0.280 1.00 0.00 O ATOM 848 CB PRO A 57 -3.001 14.610 1.888 1.00 0.00 C ATOM 849 CG PRO A 57 -1.532 15.037 1.521 1.00 0.00 C ATOM 850 CD PRO A 57 -0.966 13.876 0.698 1.00 0.00 C ATOM 0 HA PRO A 57 -3.310 12.597 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.724 15.060 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.266 14.934 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.524 15.965 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.937 15.210 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.239 13.941 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.122 13.826 0.743 1.00 0.00 H new ATOM 858 N ARG A 58 -4.620 11.397 1.194 1.00 0.00 N ATOM 859 CA ARG A 58 -5.667 10.665 0.413 1.00 0.00 C ATOM 860 C ARG A 58 -6.868 10.188 1.279 1.00 0.00 C ATOM 861 O ARG A 58 -6.738 9.310 2.105 1.00 0.00 O ATOM 862 CB ARG A 58 -4.885 9.484 -0.311 1.00 0.00 C ATOM 863 CG ARG A 58 -5.534 8.066 -0.167 1.00 0.00 C ATOM 864 CD ARG A 58 -6.847 7.989 -0.946 1.00 0.00 C ATOM 865 NE ARG A 58 -7.277 6.561 -0.954 1.00 0.00 N ATOM 866 CZ ARG A 58 -8.509 6.237 -1.012 1.00 0.00 C ATOM 867 NH1 ARG A 58 -9.246 6.502 -0.017 1.00 0.00 N ATOM 868 NH2 ARG A 58 -8.931 5.668 -2.063 1.00 0.00 N ATOM 0 H ARG A 58 -4.384 10.950 2.080 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.154 11.317 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.802 9.722 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.871 9.444 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.844 7.306 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.717 7.850 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.607 8.616 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.712 8.355 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.570 5.827 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.850 6.963 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.235 6.255 -0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.290 5.481 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.912 5.397 -2.138 1.00 0.00 H new ATOM 882 N GLY A 59 -8.024 10.770 1.104 1.00 0.00 N ATOM 883 CA GLY A 59 -9.235 10.338 1.908 1.00 0.00 C ATOM 884 C GLY A 59 -10.329 9.964 0.903 1.00 0.00 C ATOM 885 O GLY A 59 -10.325 8.873 0.369 1.00 0.00 O ATOM 0 H GLY A 59 -8.195 11.527 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.991 9.489 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.571 11.143 2.562 1.00 0.00 H new ATOM 889 N GLN A 60 -11.207 10.908 0.699 1.00 0.00 N ATOM 890 CA GLN A 60 -12.364 10.778 -0.251 1.00 0.00 C ATOM 891 C GLN A 60 -11.847 11.282 -1.626 1.00 0.00 C ATOM 892 O GLN A 60 -11.709 10.585 -2.615 1.00 0.00 O ATOM 893 CB GLN A 60 -13.552 11.669 0.272 1.00 0.00 C ATOM 894 CG GLN A 60 -14.042 11.212 1.698 1.00 0.00 C ATOM 895 CD GLN A 60 -15.256 12.036 2.169 1.00 0.00 C ATOM 896 OE1 GLN A 60 -16.278 12.087 1.529 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.231 12.706 3.275 1.00 0.00 N ATOM 0 H GLN A 60 -11.171 11.810 1.174 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.729 9.754 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.234 12.711 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.383 11.617 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.307 10.155 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.228 11.319 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.393 12.699 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.049 13.241 3.566 1.00 0.00 H new ATOM 906 N ALA A 61 -11.536 12.554 -1.624 1.00 0.00 N ATOM 907 CA ALA A 61 -11.009 13.306 -2.824 1.00 0.00 C ATOM 908 C ALA A 61 -9.747 12.720 -3.537 1.00 0.00 C ATOM 909 O ALA A 61 -9.125 13.361 -4.367 1.00 0.00 O ATOM 910 CB ALA A 61 -10.746 14.734 -2.323 1.00 0.00 C ATOM 0 H ALA A 61 -11.629 13.140 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.757 13.238 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.360 15.342 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.676 15.168 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.015 14.707 -1.515 1.00 0.00 H new ATOM 916 N ALA A 62 -9.391 11.521 -3.188 1.00 0.00 N ATOM 917 CA ALA A 62 -8.217 10.851 -3.800 1.00 0.00 C ATOM 918 C ALA A 62 -8.633 9.491 -4.403 1.00 0.00 C ATOM 919 O ALA A 62 -7.832 8.836 -5.041 1.00 0.00 O ATOM 920 CB ALA A 62 -7.162 10.730 -2.683 1.00 0.00 C ATOM 0 H ALA A 62 -9.877 10.963 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.798 11.416 -4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.270 10.242 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.901 11.724 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.567 10.139 -1.862 1.00 0.00 H new ATOM 926 N CYS A 63 -9.876 9.100 -4.235 1.00 0.00 N ATOM 927 CA CYS A 63 -10.368 7.785 -4.783 1.00 0.00 C ATOM 928 C CYS A 63 -10.602 7.794 -6.329 1.00 0.00 C ATOM 929 O CYS A 63 -11.483 7.172 -6.885 1.00 0.00 O ATOM 930 CB CYS A 63 -11.652 7.481 -3.990 1.00 0.00 C ATOM 931 SG CYS A 63 -12.378 5.840 -4.199 1.00 0.00 S ATOM 0 H CYS A 63 -10.582 9.641 -3.736 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.616 7.006 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.437 7.624 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.403 8.221 -4.266 1.00 0.00 H new ATOM 936 N GLY A 64 -9.736 8.547 -6.954 1.00 0.00 N ATOM 937 CA GLY A 64 -9.681 8.767 -8.433 1.00 0.00 C ATOM 938 C GLY A 64 -8.337 9.381 -8.887 1.00 0.00 C ATOM 939 O GLY A 64 -8.278 9.992 -9.933 1.00 0.00 O ATOM 0 H GLY A 64 -9.007 9.058 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.835 7.817 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.497 9.425 -8.730 1.00 0.00 H new ATOM 943 N LYS A 65 -7.297 9.211 -8.106 1.00 0.00 N ATOM 944 CA LYS A 65 -5.941 9.756 -8.444 1.00 0.00 C ATOM 945 C LYS A 65 -4.913 8.626 -8.362 1.00 0.00 C ATOM 946 O LYS A 65 -5.191 7.526 -7.903 1.00 0.00 O ATOM 947 CB LYS A 65 -5.557 10.919 -7.452 1.00 0.00 C ATOM 948 CG LYS A 65 -6.003 12.265 -8.090 1.00 0.00 C ATOM 949 CD LYS A 65 -5.636 13.501 -7.196 1.00 0.00 C ATOM 950 CE LYS A 65 -6.538 13.592 -5.960 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.280 14.882 -5.226 1.00 0.00 N ATOM 0 H LYS A 65 -7.332 8.702 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.954 10.161 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.045 10.774 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.483 10.923 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.533 12.374 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.080 12.246 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.595 13.427 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.728 14.415 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.585 13.538 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.351 12.745 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.896 14.935 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.285 14.918 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.481 15.685 -5.855 1.00 0.00 H new ATOM 965 N CYS A 66 -3.722 8.926 -8.805 1.00 0.00 N ATOM 966 CA CYS A 66 -2.626 7.921 -8.792 1.00 0.00 C ATOM 967 C CYS A 66 -1.387 8.298 -7.961 1.00 0.00 C ATOM 968 O CYS A 66 -1.224 9.362 -7.401 1.00 0.00 O ATOM 969 CB CYS A 66 -2.277 7.663 -10.275 1.00 0.00 C ATOM 970 SG CYS A 66 -3.394 6.525 -11.129 1.00 0.00 S ATOM 0 H CYS A 66 -3.461 9.838 -9.180 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.976 7.024 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.276 8.616 -10.805 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.263 7.266 -10.332 1.00 0.00 H new ATOM 975 N LEU A 67 -0.537 7.319 -7.919 1.00 0.00 N ATOM 976 CA LEU A 67 0.762 7.401 -7.174 1.00 0.00 C ATOM 977 C LEU A 67 1.939 6.982 -8.101 1.00 0.00 C ATOM 978 O LEU A 67 1.965 5.849 -8.543 1.00 0.00 O ATOM 979 CB LEU A 67 0.575 6.462 -5.951 1.00 0.00 C ATOM 980 CG LEU A 67 1.204 7.009 -4.665 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.899 5.980 -3.547 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.730 7.160 -4.834 1.00 0.00 C ATOM 0 H LEU A 67 -0.688 6.425 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 67 1.012 8.409 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.490 6.300 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.014 5.490 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 67 0.798 7.991 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.328 6.326 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.180 5.873 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.334 5.016 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.161 7.550 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.169 6.188 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.939 7.850 -5.652 1.00 0.00 H new ATOM 994 N ARG A 68 2.886 7.839 -8.393 1.00 0.00 N ATOM 995 CA ARG A 68 4.008 7.390 -9.292 1.00 0.00 C ATOM 996 C ARG A 68 5.080 6.842 -8.348 1.00 0.00 C ATOM 997 O ARG A 68 5.373 7.460 -7.347 1.00 0.00 O ATOM 998 CB ARG A 68 4.510 8.614 -10.105 1.00 0.00 C ATOM 999 CG ARG A 68 5.808 8.273 -10.896 1.00 0.00 C ATOM 1000 CD ARG A 68 6.112 9.398 -11.903 1.00 0.00 C ATOM 1001 NE ARG A 68 6.283 10.682 -11.131 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.820 11.714 -11.667 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.103 12.421 -12.444 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.028 12.022 -11.419 1.00 0.00 N ATOM 0 H ARG A 68 2.937 8.803 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 68 3.716 6.628 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.733 8.936 -10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.701 9.448 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.644 8.152 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.688 7.325 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.016 9.170 -12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.301 9.493 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 68 5.965 10.730 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.134 12.159 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.497 13.250 -12.888 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.582 11.445 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.443 12.847 -11.853 1.00 0.00 H new ATOM 1018 N VAL A 69 5.642 5.709 -8.662 1.00 0.00 N ATOM 1019 CA VAL A 69 6.701 5.085 -7.798 1.00 0.00 C ATOM 1020 C VAL A 69 7.981 5.068 -8.635 1.00 0.00 C ATOM 1021 O VAL A 69 7.921 4.916 -9.842 1.00 0.00 O ATOM 1022 CB VAL A 69 6.270 3.624 -7.425 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.281 2.955 -6.467 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.917 3.624 -6.723 1.00 0.00 C ATOM 0 H VAL A 69 5.411 5.172 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 69 6.851 5.638 -6.871 1.00 0.00 H new ATOM 0 HB VAL A 69 6.224 3.069 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.946 1.944 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.260 2.912 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.351 3.536 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.637 2.601 -6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.981 4.216 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.165 4.055 -7.383 1.00 0.00 H new ATOM 1034 N THR A 70 9.109 5.235 -7.999 1.00 0.00 N ATOM 1035 CA THR A 70 10.442 5.232 -8.703 1.00 0.00 C ATOM 1036 C THR A 70 11.534 4.579 -7.863 1.00 0.00 C ATOM 1037 O THR A 70 11.486 4.640 -6.647 1.00 0.00 O ATOM 1038 CB THR A 70 10.889 6.645 -8.965 1.00 0.00 C ATOM 1039 OG1 THR A 70 9.918 7.186 -9.844 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.206 6.726 -9.787 1.00 0.00 C ATOM 0 H THR A 70 9.172 5.378 -6.991 1.00 0.00 H new ATOM 0 HA THR A 70 10.301 4.671 -9.627 1.00 0.00 H new ATOM 0 HB THR A 70 11.022 7.143 -8.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.150 8.114 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.474 7.771 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.006 6.223 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.063 6.241 -10.753 1.00 0.00 H new ATOM 1048 N ASN A 71 12.490 3.986 -8.525 1.00 0.00 N ATOM 1049 CA ASN A 71 13.621 3.330 -7.810 1.00 0.00 C ATOM 1050 C ASN A 71 14.935 4.093 -8.165 1.00 0.00 C ATOM 1051 O ASN A 71 15.151 4.380 -9.331 1.00 0.00 O ATOM 1052 CB ASN A 71 13.688 1.866 -8.275 1.00 0.00 C ATOM 1053 CG ASN A 71 14.721 1.173 -7.416 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.673 1.223 -6.213 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.692 0.508 -7.931 1.00 0.00 N ATOM 0 H ASN A 71 12.536 3.928 -9.542 1.00 0.00 H new ATOM 0 HA ASN A 71 13.485 3.355 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.716 1.384 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.962 1.809 -9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.376 0.053 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.779 0.434 -8.945 1.00 0.00 H new ATOM 1062 N PRO A 72 15.787 4.405 -7.205 1.00 0.00 N ATOM 1063 CA PRO A 72 17.068 5.085 -7.545 1.00 0.00 C ATOM 1064 C PRO A 72 18.007 4.107 -8.270 1.00 0.00 C ATOM 1065 O PRO A 72 18.112 4.144 -9.477 1.00 0.00 O ATOM 1066 CB PRO A 72 17.640 5.584 -6.196 1.00 0.00 C ATOM 1067 CG PRO A 72 16.616 5.170 -5.099 1.00 0.00 C ATOM 1068 CD PRO A 72 15.616 4.168 -5.742 1.00 0.00 C ATOM 0 HA PRO A 72 16.937 5.924 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.617 5.141 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.778 6.665 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.127 4.711 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.089 6.045 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.848 3.138 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.592 4.359 -5.420 1.00 0.00 H new ATOM 1076 N ALA A 73 18.655 3.259 -7.516 1.00 0.00 N ATOM 1077 CA ALA A 73 19.611 2.238 -8.064 1.00 0.00 C ATOM 1078 C ALA A 73 19.400 1.792 -9.539 1.00 0.00 C ATOM 1079 O ALA A 73 20.316 1.837 -10.339 1.00 0.00 O ATOM 1080 CB ALA A 73 19.533 1.039 -7.106 1.00 0.00 C ATOM 0 H ALA A 73 18.559 3.228 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 73 20.596 2.702 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.208 0.255 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.822 1.355 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.513 0.656 -7.085 1.00 0.00 H new ATOM 1086 N THR A 74 18.185 1.381 -9.822 1.00 0.00 N ATOM 1087 CA THR A 74 17.832 0.911 -11.217 1.00 0.00 C ATOM 1088 C THR A 74 17.239 2.005 -12.084 1.00 0.00 C ATOM 1089 O THR A 74 17.193 1.867 -13.291 1.00 0.00 O ATOM 1090 CB THR A 74 16.774 -0.242 -11.219 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.538 0.287 -10.731 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.151 -1.338 -10.213 1.00 0.00 C ATOM 0 H THR A 74 17.417 1.348 -9.152 1.00 0.00 H new ATOM 0 HA THR A 74 18.788 0.573 -11.617 1.00 0.00 H new ATOM 0 HB THR A 74 16.716 -0.640 -12.232 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.911 -0.448 -10.563 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.399 -2.127 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.123 -1.756 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.200 -0.911 -9.211 1.00 0.00 H new ATOM 1100 N GLY A 75 16.790 3.067 -11.470 1.00 0.00 N ATOM 1101 CA GLY A 75 16.181 4.198 -12.237 1.00 0.00 C ATOM 1102 C GLY A 75 14.843 3.765 -12.811 1.00 0.00 C ATOM 1103 O GLY A 75 14.250 4.509 -13.565 1.00 0.00 O ATOM 0 H GLY A 75 16.819 3.202 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.046 5.061 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.850 4.507 -13.041 1.00 0.00 H new ATOM 1107 N ALA A 76 14.381 2.588 -12.462 1.00 0.00 N ATOM 1108 CA ALA A 76 13.065 2.170 -13.034 1.00 0.00 C ATOM 1109 C ALA A 76 11.927 2.873 -12.270 1.00 0.00 C ATOM 1110 O ALA A 76 12.050 3.231 -11.114 1.00 0.00 O ATOM 1111 CB ALA A 76 12.954 0.632 -12.910 1.00 0.00 C ATOM 0 H ALA A 76 14.835 1.925 -11.834 1.00 0.00 H new ATOM 0 HA ALA A 76 12.988 2.453 -14.084 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.000 0.302 -13.321 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.769 0.163 -13.461 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.015 0.346 -11.860 1.00 0.00 H new ATOM 1117 N GLN A 77 10.837 3.067 -12.961 1.00 0.00 N ATOM 1118 CA GLN A 77 9.641 3.736 -12.357 1.00 0.00 C ATOM 1119 C GLN A 77 8.338 3.194 -12.967 1.00 0.00 C ATOM 1120 O GLN A 77 8.349 2.637 -14.047 1.00 0.00 O ATOM 1121 CB GLN A 77 9.796 5.270 -12.587 1.00 0.00 C ATOM 1122 CG GLN A 77 9.958 5.601 -14.104 1.00 0.00 C ATOM 1123 CD GLN A 77 10.143 7.105 -14.322 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.568 7.930 -13.648 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.923 7.544 -15.253 1.00 0.00 N ATOM 0 H GLN A 77 10.719 2.787 -13.935 1.00 0.00 H new ATOM 0 HA GLN A 77 9.584 3.528 -11.289 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.924 5.790 -12.190 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.663 5.637 -12.038 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.816 5.063 -14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.080 5.256 -14.651 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.429 6.887 -15.847 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.033 8.548 -15.395 1.00 0.00 H new ATOM 1134 N ILE A 78 7.270 3.370 -12.233 1.00 0.00 N ATOM 1135 CA ILE A 78 5.888 2.920 -12.633 1.00 0.00 C ATOM 1136 C ILE A 78 4.767 3.809 -11.992 1.00 0.00 C ATOM 1137 O ILE A 78 5.076 4.623 -11.150 1.00 0.00 O ATOM 1138 CB ILE A 78 5.813 1.446 -12.176 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.855 0.618 -13.047 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.401 1.313 -10.699 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.647 -0.006 -14.216 1.00 0.00 C ATOM 0 H ILE A 78 7.296 3.831 -11.324 1.00 0.00 H new ATOM 0 HA ILE A 78 5.719 3.018 -13.705 1.00 0.00 H new ATOM 0 HB ILE A 78 6.823 1.052 -12.292 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.386 -0.164 -12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.054 1.250 -13.430 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.362 0.259 -10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.130 1.824 -10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.418 1.762 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.973 -0.595 -14.838 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.095 0.786 -14.816 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.432 -0.650 -13.821 1.00 0.00 H new ATOM 1153 N THR A 79 3.518 3.635 -12.371 1.00 0.00 N ATOM 1154 CA THR A 79 2.363 4.448 -11.785 1.00 0.00 C ATOM 1155 C THR A 79 1.240 3.536 -11.246 1.00 0.00 C ATOM 1156 O THR A 79 0.675 2.749 -11.984 1.00 0.00 O ATOM 1157 CB THR A 79 1.715 5.365 -12.836 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.669 6.396 -13.008 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.565 6.191 -12.251 1.00 0.00 C ATOM 0 H THR A 79 3.232 2.954 -13.074 1.00 0.00 H new ATOM 0 HA THR A 79 2.804 5.038 -10.981 1.00 0.00 H new ATOM 0 HB THR A 79 1.404 4.759 -13.687 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.341 7.038 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.138 6.823 -13.030 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.204 5.522 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.941 6.816 -11.442 1.00 0.00 H new ATOM 1167 N ALA A 80 0.918 3.668 -9.983 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.158 2.826 -9.349 1.00 0.00 C ATOM 1169 C ALA A 80 -1.401 3.683 -9.022 1.00 0.00 C ATOM 1170 O ALA A 80 -1.374 4.892 -9.142 1.00 0.00 O ATOM 1171 CB ALA A 80 0.427 2.194 -8.061 1.00 0.00 C ATOM 0 H ALA A 80 1.360 4.334 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.476 2.044 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.333 1.578 -7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.287 1.575 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.739 2.984 -7.377 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.448 3.029 -8.607 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.707 3.752 -8.269 1.00 0.00 C ATOM 1179 C ARG A 81 -3.908 3.804 -6.748 1.00 0.00 C ATOM 1180 O ARG A 81 -3.516 2.888 -6.056 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.847 2.995 -8.987 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.013 3.974 -9.170 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.008 3.362 -10.162 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.389 3.304 -11.552 1.00 0.00 N ATOM 1185 CZ ARG A 81 -5.699 4.276 -12.018 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.352 5.278 -12.456 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -4.426 4.189 -12.010 1.00 0.00 N ATOM 0 H ARG A 81 -2.487 2.017 -8.486 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.680 4.790 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.508 2.619 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.161 2.131 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.500 4.166 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.649 4.932 -9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.288 2.360 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.922 3.956 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.527 2.471 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.371 5.276 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.855 6.082 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.974 3.354 -11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.860 4.954 -12.377 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.488 4.881 -6.297 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.752 5.075 -4.831 1.00 0.00 C ATOM 1203 C ILE A 82 -6.141 4.495 -4.427 1.00 0.00 C ATOM 1204 O ILE A 82 -7.091 5.231 -4.205 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.629 6.616 -4.561 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.188 7.102 -4.963 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.764 6.799 -3.050 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.998 8.631 -4.726 1.00 0.00 C ATOM 0 H ILE A 82 -4.798 5.652 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.033 4.533 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.380 7.171 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.446 6.551 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.009 6.873 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.686 7.858 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.733 6.421 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.970 6.249 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.989 8.922 -5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.722 9.185 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.150 8.857 -3.671 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.286 3.207 -4.296 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.605 2.623 -3.934 1.00 0.00 C ATOM 1222 C VAL A 83 -7.827 2.173 -2.493 1.00 0.00 C ATOM 1223 O VAL A 83 -8.940 2.297 -2.010 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.821 1.448 -4.876 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.978 1.957 -6.316 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -6.646 0.478 -4.823 1.00 0.00 C ATOM 0 H VAL A 83 -5.537 2.527 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.326 3.434 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.724 0.927 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.132 1.111 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.836 2.627 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.077 2.495 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.828 -0.352 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.733 0.996 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.536 0.095 -3.808 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.794 1.659 -1.877 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.918 1.182 -0.452 1.00 0.00 C ATOM 1238 C ASP A 84 -6.053 1.898 0.669 1.00 0.00 C ATOM 1239 O ASP A 84 -5.313 2.828 0.418 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.630 -0.341 -0.583 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.723 -1.012 0.764 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.697 -0.682 1.417 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.833 -1.786 1.052 1.00 0.00 O ATOM 0 H ASP A 84 -5.869 1.546 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.903 1.438 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.343 -0.794 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.637 -0.495 -1.005 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.144 1.484 1.915 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.345 2.113 3.039 1.00 0.00 C ATOM 1250 C GLN A 85 -4.577 1.040 3.881 1.00 0.00 C ATOM 1251 O GLN A 85 -5.201 0.124 4.378 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.354 2.900 3.893 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.595 3.514 5.110 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.449 4.540 5.840 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.448 4.262 6.462 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.106 5.785 5.807 1.00 0.00 N ATOM 0 H GLN A 85 -6.750 0.720 2.213 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.571 2.772 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.820 3.687 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.154 2.244 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.309 2.720 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.674 3.984 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.271 6.071 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.670 6.482 6.292 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.275 1.178 4.043 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.525 0.139 4.844 1.00 0.00 C ATOM 1267 C CYS A 86 -1.913 0.621 6.176 1.00 0.00 C ATOM 1268 O CYS A 86 -0.792 1.079 6.212 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.412 -0.459 3.903 1.00 0.00 C ATOM 1270 SG CYS A 86 0.338 0.017 4.009 1.00 0.00 S ATOM 0 H CYS A 86 -2.711 1.941 3.668 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.254 -0.606 5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.446 -1.541 4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.727 -0.251 2.881 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.658 0.510 7.250 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.184 0.941 8.612 1.00 0.00 C ATOM 1277 C ALA A 87 -0.638 0.974 8.772 1.00 0.00 C ATOM 1278 O ALA A 87 -0.035 1.996 9.038 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.842 -0.028 9.616 1.00 0.00 C ATOM 0 H ALA A 87 -3.604 0.128 7.242 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.477 1.976 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.535 0.234 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.927 0.045 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.530 -1.049 9.395 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.060 -0.185 8.597 1.00 0.00 N ATOM 1286 CA ASN A 88 1.429 -0.345 8.709 1.00 0.00 C ATOM 1287 C ASN A 88 2.014 -1.560 7.916 1.00 0.00 C ATOM 1288 O ASN A 88 2.657 -2.420 8.488 1.00 0.00 O ATOM 1289 CB ASN A 88 1.740 -0.437 10.234 1.00 0.00 C ATOM 1290 CG ASN A 88 0.913 -1.540 10.870 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.163 -1.340 11.385 1.00 0.00 O ATOM 1292 ND2 ASN A 88 1.368 -2.744 10.852 1.00 0.00 N ATOM 0 H ASN A 88 -0.562 -1.045 8.377 1.00 0.00 H new ATOM 0 HA ASN A 88 1.919 0.510 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.801 -0.634 10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.521 0.516 10.716 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.824 -3.501 11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.273 -2.941 10.424 1.00 0.00 H new ATOM 1299 N GLY A 89 1.772 -1.598 6.623 1.00 0.00 N ATOM 1300 CA GLY A 89 2.288 -2.730 5.730 1.00 0.00 C ATOM 1301 C GLY A 89 3.017 -2.937 4.354 1.00 0.00 C ATOM 1302 O GLY A 89 3.690 -3.929 4.151 1.00 0.00 O ATOM 0 H GLY A 89 1.232 -0.889 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.944 -3.271 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.392 -3.337 5.601 1.00 0.00 H new ATOM 1306 N GLY A 90 2.866 -1.989 3.460 1.00 0.00 N ATOM 1307 CA GLY A 90 3.505 -2.074 2.084 1.00 0.00 C ATOM 1308 C GLY A 90 2.481 -1.677 0.989 1.00 0.00 C ATOM 1309 O GLY A 90 1.398 -1.243 1.321 1.00 0.00 O ATOM 0 H GLY A 90 2.320 -1.142 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.372 -1.415 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.865 -3.087 1.905 1.00 0.00 H new ATOM 1313 N LEU A 91 2.811 -1.813 -0.272 1.00 0.00 N ATOM 1314 CA LEU A 91 1.843 -1.432 -1.366 1.00 0.00 C ATOM 1315 C LEU A 91 1.814 -2.500 -2.490 1.00 0.00 C ATOM 1316 O LEU A 91 2.296 -2.302 -3.591 1.00 0.00 O ATOM 1317 CB LEU A 91 2.222 0.000 -1.998 1.00 0.00 C ATOM 1318 CG LEU A 91 3.325 0.818 -1.270 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.712 0.218 -1.545 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.337 2.248 -1.874 1.00 0.00 C ATOM 0 H LEU A 91 3.708 -2.171 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 91 0.853 -1.372 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.540 -0.157 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.317 0.606 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 91 3.117 0.814 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.471 0.804 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.741 -0.811 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.910 0.235 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.104 2.845 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.553 2.191 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.363 2.714 -1.726 1.00 0.00 H new ATOM 1332 N ASP A 92 1.248 -3.629 -2.186 1.00 0.00 N ATOM 1333 CA ASP A 92 1.174 -4.721 -3.211 1.00 0.00 C ATOM 1334 C ASP A 92 -0.141 -5.545 -3.187 1.00 0.00 C ATOM 1335 O ASP A 92 -0.519 -6.082 -2.165 1.00 0.00 O ATOM 1336 CB ASP A 92 2.477 -5.563 -2.964 1.00 0.00 C ATOM 1337 CG ASP A 92 2.726 -5.871 -1.484 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.919 -4.910 -0.750 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.728 -7.040 -1.145 1.00 0.00 O ATOM 0 H ASP A 92 0.833 -3.850 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 92 1.137 -4.320 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.406 -6.500 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.333 -5.021 -3.365 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.830 -5.619 -4.306 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.106 -6.417 -4.319 1.00 0.00 C ATOM 1346 C LEU A 93 -1.922 -7.697 -5.155 1.00 0.00 C ATOM 1347 O LEU A 93 -1.662 -8.735 -4.584 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.283 -5.522 -4.895 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.872 -4.549 -3.826 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -2.808 -3.682 -3.197 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.904 -3.631 -4.472 1.00 0.00 C ATOM 0 H LEU A 93 -0.575 -5.175 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.362 -6.715 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.915 -4.945 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.077 -6.168 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.326 -5.168 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.265 -3.022 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.066 -4.313 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.323 -3.084 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.311 -2.955 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.430 -3.051 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.710 -4.230 -4.895 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.033 -7.659 -6.459 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.846 -8.935 -7.218 1.00 0.00 C ATOM 1365 C ASP A 94 -0.356 -9.089 -7.578 1.00 0.00 C ATOM 1366 O ASP A 94 0.262 -8.082 -7.852 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.754 -8.811 -8.430 1.00 0.00 C ATOM 1368 CG ASP A 94 -2.989 -10.164 -9.042 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -3.703 -10.892 -8.373 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -2.442 -10.368 -10.104 1.00 0.00 O ATOM 0 H ASP A 94 -2.238 -6.830 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.109 -9.831 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.705 -8.366 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.303 -8.144 -9.165 1.00 0.00 H new ATOM 1375 N TRP A 95 0.146 -10.308 -7.573 1.00 0.00 N ATOM 1376 CA TRP A 95 1.591 -10.620 -7.890 1.00 0.00 C ATOM 1377 C TRP A 95 2.479 -9.361 -7.747 1.00 0.00 C ATOM 1378 O TRP A 95 3.209 -8.989 -8.640 1.00 0.00 O ATOM 1379 CB TRP A 95 1.575 -11.203 -9.329 1.00 0.00 C ATOM 1380 CG TRP A 95 2.991 -11.414 -9.893 1.00 0.00 C ATOM 1381 CD1 TRP A 95 3.946 -12.229 -9.367 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.482 -10.805 -10.995 1.00 0.00 C ATOM 1383 NE1 TRP A 95 4.962 -12.056 -10.196 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.775 -11.218 -11.205 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.901 -9.898 -11.863 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 5.491 -10.729 -12.277 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.613 -9.406 -12.936 1.00 0.00 C ATOM 1388 CH2 TRP A 95 4.914 -9.822 -13.145 1.00 0.00 C ATOM 0 H TRP A 95 -0.409 -11.135 -7.353 1.00 0.00 H new ATOM 0 HA TRP A 95 2.027 -11.337 -7.195 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.042 -12.154 -9.327 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.022 -10.530 -9.985 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.888 -12.859 -8.492 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.848 -12.545 -10.065 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.884 -9.574 -11.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.507 -11.056 -12.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.156 -8.698 -13.611 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.477 -9.440 -13.983 1.00 0.00 H new ATOM 1399 N ASP A 96 2.385 -8.745 -6.598 1.00 0.00 N ATOM 1400 CA ASP A 96 3.145 -7.504 -6.264 1.00 0.00 C ATOM 1401 C ASP A 96 3.464 -6.633 -7.527 1.00 0.00 C ATOM 1402 O ASP A 96 4.573 -6.180 -7.747 1.00 0.00 O ATOM 1403 CB ASP A 96 4.374 -8.050 -5.509 1.00 0.00 C ATOM 1404 CG ASP A 96 3.949 -9.130 -4.492 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.064 -8.827 -3.720 1.00 0.00 O ATOM 1406 OD2 ASP A 96 4.542 -10.189 -4.571 1.00 0.00 O ATOM 0 H ASP A 96 1.782 -9.069 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 96 2.589 -6.792 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.086 -8.471 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.882 -7.236 -4.992 1.00 0.00 H new ATOM 1411 N THR A 97 2.418 -6.465 -8.310 1.00 0.00 N ATOM 1412 CA THR A 97 2.409 -5.674 -9.593 1.00 0.00 C ATOM 1413 C THR A 97 3.346 -4.481 -9.619 1.00 0.00 C ATOM 1414 O THR A 97 3.747 -4.102 -10.697 1.00 0.00 O ATOM 1415 CB THR A 97 1.003 -5.067 -9.966 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.869 -3.936 -9.129 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.227 -5.892 -9.560 1.00 0.00 C ATOM 0 H THR A 97 1.509 -6.874 -8.094 1.00 0.00 H new ATOM 0 HA THR A 97 2.727 -6.440 -10.301 1.00 0.00 H new ATOM 0 HB THR A 97 1.007 -4.946 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.010 -3.499 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.133 -5.371 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.186 -6.868 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.236 -6.023 -8.478 1.00 0.00 H new ATOM 1425 N VAL A 98 3.667 -3.911 -8.485 1.00 0.00 N ATOM 1426 CA VAL A 98 4.593 -2.725 -8.467 1.00 0.00 C ATOM 1427 C VAL A 98 6.073 -3.179 -8.350 1.00 0.00 C ATOM 1428 O VAL A 98 6.876 -2.989 -9.249 1.00 0.00 O ATOM 1429 CB VAL A 98 4.162 -1.825 -7.250 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.058 -0.582 -7.118 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.720 -1.307 -7.440 1.00 0.00 C ATOM 0 H VAL A 98 3.331 -4.211 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 98 4.522 -2.160 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 98 4.247 -2.451 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.730 0.015 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.092 -0.893 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.989 0.015 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.441 -0.687 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.663 -0.715 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.036 -2.153 -7.513 1.00 0.00 H new ATOM 1441 N PHE A 99 6.378 -3.785 -7.233 1.00 0.00 N ATOM 1442 CA PHE A 99 7.766 -4.290 -6.933 1.00 0.00 C ATOM 1443 C PHE A 99 8.489 -5.104 -8.042 1.00 0.00 C ATOM 1444 O PHE A 99 9.581 -4.763 -8.472 1.00 0.00 O ATOM 1445 CB PHE A 99 7.629 -5.104 -5.619 1.00 0.00 C ATOM 1446 CG PHE A 99 9.018 -5.303 -5.013 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.552 -4.289 -4.244 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.756 -6.449 -5.230 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.813 -4.416 -3.697 1.00 0.00 C ATOM 1450 CE2 PHE A 99 11.016 -6.574 -4.683 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.542 -5.560 -3.921 1.00 0.00 C ATOM 0 H PHE A 99 5.705 -3.960 -6.487 1.00 0.00 H new ATOM 0 HA PHE A 99 8.425 -3.426 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.983 -4.579 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.164 -6.069 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.979 -3.390 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.346 -7.249 -5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.225 -3.620 -3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.591 -7.472 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.530 -5.661 -3.497 1.00 0.00 H new ATOM 1461 N THR A 100 7.829 -6.146 -8.486 1.00 0.00 N ATOM 1462 CA THR A 100 8.408 -7.046 -9.563 1.00 0.00 C ATOM 1463 C THR A 100 8.680 -6.311 -10.882 1.00 0.00 C ATOM 1464 O THR A 100 9.160 -6.907 -11.829 1.00 0.00 O ATOM 1465 CB THR A 100 7.443 -8.284 -9.885 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.018 -8.283 -11.241 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.076 -8.107 -9.304 1.00 0.00 C ATOM 0 H THR A 100 6.906 -6.423 -8.153 1.00 0.00 H new ATOM 0 HA THR A 100 9.354 -7.397 -9.151 1.00 0.00 H new ATOM 0 HB THR A 100 8.027 -9.136 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.533 -9.113 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.461 -8.973 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.151 -8.011 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.619 -7.208 -9.717 1.00 0.00 H new ATOM 1475 N LYS A 101 8.373 -5.041 -10.938 1.00 0.00 N ATOM 1476 CA LYS A 101 8.611 -4.260 -12.186 1.00 0.00 C ATOM 1477 C LYS A 101 9.850 -3.329 -12.035 1.00 0.00 C ATOM 1478 O LYS A 101 10.604 -3.151 -12.968 1.00 0.00 O ATOM 1479 CB LYS A 101 7.323 -3.441 -12.491 1.00 0.00 C ATOM 1480 CG LYS A 101 6.155 -4.377 -12.885 1.00 0.00 C ATOM 1481 CD LYS A 101 4.899 -3.501 -13.203 1.00 0.00 C ATOM 1482 CE LYS A 101 3.743 -4.392 -13.682 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.440 -3.653 -13.557 1.00 0.00 N ATOM 0 H LYS A 101 7.966 -4.510 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 101 8.826 -4.934 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.045 -2.854 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.518 -2.736 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.427 -4.977 -13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.936 -5.071 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.597 -2.947 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.143 -2.765 -13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.905 -4.687 -14.719 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.710 -5.308 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.663 -4.262 -13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.282 -3.393 -12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.472 -2.792 -14.139 1.00 0.00 H new ATOM 1497 N ILE A 102 10.030 -2.768 -10.862 1.00 0.00 N ATOM 1498 CA ILE A 102 11.191 -1.846 -10.594 1.00 0.00 C ATOM 1499 C ILE A 102 12.469 -2.574 -10.062 1.00 0.00 C ATOM 1500 O ILE A 102 13.570 -2.064 -10.257 1.00 0.00 O ATOM 1501 CB ILE A 102 10.656 -0.732 -9.603 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.142 -1.284 -8.247 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.503 0.076 -10.296 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.323 -1.465 -7.266 1.00 0.00 C ATOM 0 H ILE A 102 9.413 -2.910 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 102 11.536 -1.402 -11.528 1.00 0.00 H new ATOM 0 HB ILE A 102 11.510 -0.094 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.407 -0.600 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.638 -2.238 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.135 0.842 -9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.883 0.548 -11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.689 -0.601 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.952 -1.853 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 102 12.042 -2.167 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.809 -0.503 -7.100 1.00 0.00 H new ATOM 1516 N ASP A 103 12.272 -3.714 -9.426 1.00 0.00 N ATOM 1517 CA ASP A 103 13.415 -4.518 -8.889 1.00 0.00 C ATOM 1518 C ASP A 103 13.957 -5.278 -10.132 1.00 0.00 C ATOM 1519 O ASP A 103 13.792 -6.463 -10.344 1.00 0.00 O ATOM 1520 CB ASP A 103 12.859 -5.492 -7.755 1.00 0.00 C ATOM 1521 CG ASP A 103 13.927 -6.467 -7.218 1.00 0.00 C ATOM 1522 OD1 ASP A 103 15.031 -6.410 -7.714 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.596 -7.233 -6.335 1.00 0.00 O ATOM 0 H ASP A 103 11.352 -4.122 -9.257 1.00 0.00 H new ATOM 0 HA ASP A 103 14.209 -3.933 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.473 -4.895 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.021 -6.064 -8.154 1.00 0.00 H new ATOM 1528 N THR A 104 14.622 -4.526 -10.963 1.00 0.00 N ATOM 1529 CA THR A 104 15.216 -5.084 -12.228 1.00 0.00 C ATOM 1530 C THR A 104 16.572 -5.742 -11.974 1.00 0.00 C ATOM 1531 O THR A 104 17.360 -5.958 -12.873 1.00 0.00 O ATOM 1532 CB THR A 104 15.362 -3.919 -13.248 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.674 -2.764 -12.480 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.031 -3.521 -13.873 1.00 0.00 C ATOM 0 H THR A 104 14.786 -3.529 -10.823 1.00 0.00 H new ATOM 0 HA THR A 104 14.558 -5.858 -12.622 1.00 0.00 H new ATOM 0 HB THR A 104 16.082 -4.231 -14.004 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.078 -2.030 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.189 -2.704 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.606 -4.376 -14.399 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.344 -3.198 -13.091 1.00 0.00 H new ATOM 1542 N ASN A 105 16.789 -6.057 -10.731 1.00 0.00 N ATOM 1543 CA ASN A 105 18.059 -6.705 -10.296 1.00 0.00 C ATOM 1544 C ASN A 105 17.823 -8.091 -9.670 1.00 0.00 C ATOM 1545 O ASN A 105 18.584 -9.004 -9.920 1.00 0.00 O ATOM 1546 CB ASN A 105 18.733 -5.713 -9.319 1.00 0.00 C ATOM 1547 CG ASN A 105 17.673 -5.121 -8.413 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.977 -4.184 -8.743 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.497 -5.645 -7.255 1.00 0.00 N ATOM 0 H ASN A 105 16.123 -5.889 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 105 18.709 -6.905 -11.148 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.492 -6.224 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.239 -4.923 -9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.782 -5.273 -6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.072 -6.434 -6.959 1.00 0.00 H new ATOM 1556 N GLY A 106 16.798 -8.215 -8.868 1.00 0.00 N ATOM 1557 CA GLY A 106 16.466 -9.518 -8.200 1.00 0.00 C ATOM 1558 C GLY A 106 16.763 -9.416 -6.715 1.00 0.00 C ATOM 1559 O GLY A 106 15.931 -9.662 -5.867 1.00 0.00 O ATOM 0 H GLY A 106 16.160 -7.452 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.415 -9.761 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.049 -10.325 -8.644 1.00 0.00 H new ATOM 1563 N ILE A 107 17.987 -9.054 -6.448 1.00 0.00 N ATOM 1564 CA ILE A 107 18.531 -8.881 -5.059 1.00 0.00 C ATOM 1565 C ILE A 107 17.520 -8.325 -4.007 1.00 0.00 C ATOM 1566 O ILE A 107 17.554 -8.726 -2.859 1.00 0.00 O ATOM 1567 CB ILE A 107 19.803 -7.983 -5.213 1.00 0.00 C ATOM 1568 CG1 ILE A 107 20.729 -8.451 -6.403 1.00 0.00 C ATOM 1569 CG2 ILE A 107 20.644 -8.045 -3.908 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.976 -9.991 -6.414 1.00 0.00 C ATOM 0 H ILE A 107 18.674 -8.859 -7.176 1.00 0.00 H new ATOM 0 HA ILE A 107 18.767 -9.859 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 107 19.453 -6.971 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 107 20.274 -8.155 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 107 21.687 -7.935 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 107 21.530 -7.419 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 107 20.045 -7.685 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.948 -9.075 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.619 -10.250 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.458 -10.289 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.023 -10.512 -6.512 1.00 0.00 H new ATOM 1582 N GLY A 108 16.652 -7.424 -4.408 1.00 0.00 N ATOM 1583 CA GLY A 108 15.642 -6.848 -3.446 1.00 0.00 C ATOM 1584 C GLY A 108 14.730 -7.999 -3.013 1.00 0.00 C ATOM 1585 O GLY A 108 14.518 -8.255 -1.837 1.00 0.00 O ATOM 0 H GLY A 108 16.596 -7.060 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.140 -6.405 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.064 -6.056 -3.922 1.00 0.00 H new ATOM 1589 N TYR A 109 14.212 -8.656 -4.023 1.00 0.00 N ATOM 1590 CA TYR A 109 13.301 -9.813 -3.838 1.00 0.00 C ATOM 1591 C TYR A 109 13.731 -10.649 -2.617 1.00 0.00 C ATOM 1592 O TYR A 109 12.895 -10.923 -1.777 1.00 0.00 O ATOM 1593 CB TYR A 109 13.340 -10.590 -5.164 1.00 0.00 C ATOM 1594 CG TYR A 109 12.119 -11.498 -5.146 1.00 0.00 C ATOM 1595 CD1 TYR A 109 12.109 -12.725 -4.514 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.977 -11.043 -5.761 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.949 -13.481 -4.505 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.829 -11.793 -5.750 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.810 -13.009 -5.123 1.00 0.00 C ATOM 1600 OH TYR A 109 8.637 -13.722 -5.111 1.00 0.00 O ATOM 0 H TYR A 109 14.395 -8.423 -4.999 1.00 0.00 H new ATOM 0 HA TYR A 109 12.276 -9.513 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.310 -9.911 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.258 -11.171 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.001 -13.093 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.984 -10.084 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.936 -14.442 -4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.939 -11.423 -6.237 1.00 0.00 H new ATOM 0 HH TYR A 109 7.947 -13.225 -5.598 1.00 0.00 H new ATOM 1610 N GLN A 110 15.009 -11.002 -2.594 1.00 0.00 N ATOM 1611 CA GLN A 110 15.654 -11.819 -1.480 1.00 0.00 C ATOM 1612 C GLN A 110 14.898 -11.698 -0.144 1.00 0.00 C ATOM 1613 O GLN A 110 14.637 -12.670 0.532 1.00 0.00 O ATOM 1614 CB GLN A 110 17.125 -11.351 -1.237 1.00 0.00 C ATOM 1615 CG GLN A 110 18.131 -11.831 -2.334 1.00 0.00 C ATOM 1616 CD GLN A 110 18.339 -13.354 -2.295 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.505 -14.122 -2.716 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.430 -13.848 -1.801 1.00 0.00 N ATOM 0 H GLN A 110 15.663 -10.747 -3.334 1.00 0.00 H new ATOM 0 HA GLN A 110 15.623 -12.857 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.147 -10.262 -1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.458 -11.719 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.762 -11.540 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.089 -11.330 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 110 20.153 -13.226 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.566 -14.859 -1.775 1.00 0.00 H new ATOM 1627 N GLN A 111 14.589 -10.474 0.178 1.00 0.00 N ATOM 1628 CA GLN A 111 13.849 -10.182 1.442 1.00 0.00 C ATOM 1629 C GLN A 111 12.472 -9.588 1.115 1.00 0.00 C ATOM 1630 O GLN A 111 11.510 -9.851 1.808 1.00 0.00 O ATOM 1631 CB GLN A 111 14.680 -9.196 2.302 1.00 0.00 C ATOM 1632 CG GLN A 111 15.963 -9.909 2.837 1.00 0.00 C ATOM 1633 CD GLN A 111 16.484 -9.179 4.074 1.00 0.00 C ATOM 1634 OE1 GLN A 111 16.676 -7.984 4.089 1.00 0.00 O ATOM 1635 NE2 GLN A 111 16.738 -9.837 5.163 1.00 0.00 N ATOM 0 H GLN A 111 14.818 -9.654 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 111 13.699 -11.104 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.958 -8.326 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.080 -8.833 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.737 -10.946 3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.730 -9.925 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.591 -10.846 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.085 -9.345 5.987 1.00 0.00 H new ATOM 1644 N GLY A 112 12.414 -8.793 0.079 1.00 0.00 N ATOM 1645 CA GLY A 112 11.133 -8.144 -0.354 1.00 0.00 C ATOM 1646 C GLY A 112 11.193 -6.648 -0.101 1.00 0.00 C ATOM 1647 O GLY A 112 10.679 -5.858 -0.861 1.00 0.00 O ATOM 0 H GLY A 112 13.219 -8.559 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.960 -8.335 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.294 -8.579 0.189 1.00 0.00 H new ATOM 1651 N HIS A 113 11.824 -6.309 0.983 1.00 0.00 N ATOM 1652 CA HIS A 113 11.967 -4.882 1.368 1.00 0.00 C ATOM 1653 C HIS A 113 13.166 -4.267 0.647 1.00 0.00 C ATOM 1654 O HIS A 113 14.216 -4.862 0.511 1.00 0.00 O ATOM 1655 CB HIS A 113 12.158 -4.779 2.918 1.00 0.00 C ATOM 1656 CG HIS A 113 13.483 -4.118 3.337 1.00 0.00 C ATOM 1657 ND1 HIS A 113 13.896 -2.958 2.947 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.472 -4.572 4.175 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.045 -2.696 3.491 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.437 -3.681 4.263 1.00 0.00 N ATOM 0 H HIS A 113 12.254 -6.971 1.629 1.00 0.00 H new ATOM 0 HA HIS A 113 11.069 -4.336 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.329 -4.210 3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.110 -5.779 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.460 -5.523 4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.605 -1.787 3.329 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.296 -3.743 4.809 1.00 0.00 H new ATOM 1668 N LEU A 114 12.949 -3.074 0.196 1.00 0.00 N ATOM 1669 CA LEU A 114 14.033 -2.342 -0.510 1.00 0.00 C ATOM 1670 C LEU A 114 13.805 -0.866 -0.203 1.00 0.00 C ATOM 1671 O LEU A 114 12.868 -0.543 0.514 1.00 0.00 O ATOM 1672 CB LEU A 114 13.919 -2.699 -2.021 1.00 0.00 C ATOM 1673 CG LEU A 114 15.039 -2.051 -2.899 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.450 -2.395 -2.372 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.923 -2.623 -4.306 1.00 0.00 C ATOM 0 H LEU A 114 12.067 -2.569 0.283 1.00 0.00 H new ATOM 0 HA LEU A 114 15.044 -2.603 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.960 -3.782 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.946 -2.376 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 114 14.910 -0.969 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 114 17.200 -1.926 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.558 -2.026 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.589 -3.476 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.694 -2.187 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 114 15.051 -3.705 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.940 -2.387 -4.715 1.00 0.00 H new ATOM 1687 N ASN A 115 14.649 -0.024 -0.731 1.00 0.00 N ATOM 1688 CA ASN A 115 14.486 1.435 -0.484 1.00 0.00 C ATOM 1689 C ASN A 115 13.984 2.025 -1.805 1.00 0.00 C ATOM 1690 O ASN A 115 14.575 1.779 -2.841 1.00 0.00 O ATOM 1691 CB ASN A 115 15.840 2.024 -0.108 1.00 0.00 C ATOM 1692 CG ASN A 115 15.591 3.450 0.352 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.756 3.718 1.184 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.257 4.437 -0.132 1.00 0.00 N ATOM 0 H ASN A 115 15.441 -0.282 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 115 13.791 1.651 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.308 1.439 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.518 2.007 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.068 5.386 0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.975 4.271 -0.837 1.00 0.00 H new ATOM 1701 N VAL A 116 12.921 2.782 -1.726 1.00 0.00 N ATOM 1702 CA VAL A 116 12.328 3.413 -2.961 1.00 0.00 C ATOM 1703 C VAL A 116 11.707 4.808 -2.683 1.00 0.00 C ATOM 1704 O VAL A 116 11.653 5.228 -1.542 1.00 0.00 O ATOM 1705 CB VAL A 116 11.224 2.452 -3.541 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.746 0.991 -3.745 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.032 2.405 -2.560 1.00 0.00 C ATOM 0 H VAL A 116 12.430 2.996 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 116 13.135 3.561 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 116 10.931 2.846 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.944 0.371 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.584 0.998 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.074 0.585 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.262 1.741 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.371 2.033 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.620 3.407 -2.440 1.00 0.00 H new ATOM 1717 N ASN A 117 11.252 5.456 -3.738 1.00 0.00 N ATOM 1718 CA ASN A 117 10.617 6.815 -3.625 1.00 0.00 C ATOM 1719 C ASN A 117 9.237 6.781 -4.339 1.00 0.00 C ATOM 1720 O ASN A 117 9.026 5.993 -5.247 1.00 0.00 O ATOM 1721 CB ASN A 117 11.504 7.851 -4.318 1.00 0.00 C ATOM 1722 CG ASN A 117 12.947 7.587 -3.977 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.460 7.913 -2.938 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.653 6.972 -4.854 1.00 0.00 N ATOM 0 H ASN A 117 11.296 5.092 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 117 10.496 7.079 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.360 7.804 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.223 8.856 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.634 6.766 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.233 6.689 -5.739 1.00 0.00 H new ATOM 1731 N TYR A 118 8.354 7.648 -3.916 1.00 0.00 N ATOM 1732 CA TYR A 118 7.002 7.697 -4.539 1.00 0.00 C ATOM 1733 C TYR A 118 6.499 9.145 -4.542 1.00 0.00 C ATOM 1734 O TYR A 118 6.763 9.918 -3.639 1.00 0.00 O ATOM 1735 CB TYR A 118 6.050 6.773 -3.737 1.00 0.00 C ATOM 1736 CG TYR A 118 5.771 7.301 -2.317 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.959 8.405 -2.094 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.351 6.671 -1.238 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.740 8.865 -0.808 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.126 7.140 0.042 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.325 8.234 0.260 1.00 0.00 C ATOM 1742 OH TYR A 118 5.113 8.732 1.524 1.00 0.00 O ATOM 0 H TYR A 118 8.512 8.322 -3.167 1.00 0.00 H new ATOM 0 HA TYR A 118 7.040 7.348 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.108 6.673 -4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.487 5.776 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.495 8.908 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.983 5.809 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.106 9.724 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.586 6.640 0.882 1.00 0.00 H new ATOM 0 HH TYR A 118 4.233 9.162 1.563 1.00 0.00 H new ATOM 1752 N GLN A 119 5.780 9.511 -5.552 1.00 0.00 N ATOM 1753 CA GLN A 119 5.248 10.902 -5.636 1.00 0.00 C ATOM 1754 C GLN A 119 3.762 10.883 -6.084 1.00 0.00 C ATOM 1755 O GLN A 119 3.479 10.422 -7.175 1.00 0.00 O ATOM 1756 CB GLN A 119 6.168 11.706 -6.643 1.00 0.00 C ATOM 1757 CG GLN A 119 7.373 10.856 -7.260 1.00 0.00 C ATOM 1758 CD GLN A 119 8.541 10.543 -6.288 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.422 9.756 -6.566 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.641 11.109 -5.133 1.00 0.00 N ATOM 0 H GLN A 119 5.531 8.906 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 119 5.270 11.392 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.550 12.083 -7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.579 12.574 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.974 9.914 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.773 11.397 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.936 11.782 -4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.425 10.883 -4.521 1.00 0.00 H new ATOM 1769 N PHE A 120 2.850 11.344 -5.250 1.00 0.00 N ATOM 1770 CA PHE A 120 1.391 11.344 -5.676 1.00 0.00 C ATOM 1771 C PHE A 120 1.296 11.960 -7.111 1.00 0.00 C ATOM 1772 O PHE A 120 1.888 12.983 -7.404 1.00 0.00 O ATOM 1773 CB PHE A 120 0.580 12.156 -4.611 1.00 0.00 C ATOM 1774 CG PHE A 120 0.242 11.249 -3.391 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.216 10.549 -2.691 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.073 11.111 -2.972 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.877 9.741 -1.614 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.408 10.313 -1.904 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.439 9.624 -1.221 1.00 0.00 C ATOM 0 H PHE A 120 3.037 11.712 -4.317 1.00 0.00 H new ATOM 0 HA PHE A 120 0.971 10.339 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.158 13.020 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.339 12.538 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.251 10.634 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.852 11.643 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.647 9.202 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.441 10.228 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.704 8.996 -0.383 1.00 0.00 H new ATOM 1789 N VAL A 121 0.552 11.304 -7.960 1.00 0.00 N ATOM 1790 CA VAL A 121 0.347 11.719 -9.398 1.00 0.00 C ATOM 1791 C VAL A 121 -1.070 11.471 -10.051 1.00 0.00 C ATOM 1792 O VAL A 121 -1.988 10.908 -9.476 1.00 0.00 O ATOM 1793 CB VAL A 121 1.511 10.958 -10.127 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.022 10.017 -11.241 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.542 11.928 -10.707 1.00 0.00 C ATOM 0 H VAL A 121 0.049 10.453 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 121 0.371 12.805 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 121 1.977 10.346 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.878 9.524 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.356 9.266 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.486 10.593 -11.995 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.332 11.365 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.057 12.586 -11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.972 12.525 -9.903 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.146 11.931 -11.278 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.389 11.794 -12.106 1.00 0.00 C ATOM 1807 C ASP A 122 -2.317 10.460 -12.863 1.00 0.00 C ATOM 1808 O ASP A 122 -1.237 9.956 -13.122 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.486 12.962 -13.128 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.892 14.253 -12.438 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -2.599 14.376 -11.260 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.477 15.041 -13.165 1.00 0.00 O ATOM 0 H ASP A 122 -0.379 12.408 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.267 11.822 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.525 13.097 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.213 12.714 -13.902 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.456 9.919 -13.211 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.416 8.621 -13.941 1.00 0.00 C ATOM 1819 C CYS A 123 -3.346 8.847 -15.455 1.00 0.00 C ATOM 1820 O CYS A 123 -2.412 8.442 -16.117 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.663 7.835 -13.563 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.951 7.628 -11.791 1.00 0.00 S ATOM 0 H CYS A 123 -4.382 10.305 -13.028 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.523 8.061 -13.663 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.530 8.333 -13.998 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.600 6.847 -14.020 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.382 9.496 -15.899 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.597 9.865 -17.325 1.00 0.00 C ATOM 1829 C ARG A 124 -4.901 8.624 -18.196 1.00 0.00 C ATOM 1830 O ARG A 124 -4.212 8.323 -19.152 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.329 10.627 -17.801 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.723 11.540 -18.999 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.604 12.545 -19.296 1.00 0.00 C ATOM 1834 NE ARG A 124 -2.307 13.292 -18.024 1.00 0.00 N ATOM 1835 CZ ARG A 124 -3.131 14.121 -17.501 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.017 13.650 -16.726 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.011 15.351 -17.782 1.00 0.00 N ATOM 0 H ARG A 124 -5.138 9.805 -15.288 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.472 10.507 -17.426 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.919 11.225 -16.987 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.553 9.922 -18.101 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.916 10.930 -19.881 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.647 12.072 -18.771 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.713 12.030 -19.653 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.909 13.236 -20.082 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.413 13.132 -17.560 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.052 12.647 -16.541 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.694 14.274 -16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.271 15.660 -18.412 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -3.655 16.032 -17.378 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.932 7.925 -17.799 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.365 6.709 -18.549 1.00 0.00 C ATOM 1853 C ASP A 125 -7.379 7.295 -19.600 1.00 0.00 C ATOM 1854 O ASP A 125 -8.582 7.140 -19.438 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.982 5.731 -17.483 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.048 4.291 -17.985 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.067 3.594 -17.769 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.049 3.887 -18.540 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.874 7.910 -20.536 1.00 0.00 O ATOM 0 H ASP A 125 -6.498 8.147 -16.980 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.603 6.132 -19.072 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.386 5.768 -16.571 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.985 6.068 -17.222 1.00 0.00 H new TER 1864 ASP A 125