USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 116 ASN : amide:sc= -2.76! C(o=-8.8!,f=-13!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -6.05! C(o=-8.8!,f=-13!) USER MOD Set 2.1: A 5 TYR OH : rot 32:sc= 0.681 USER MOD Set 2.2: A 57 TYR OH : rot -36:sc= 0.73 USER MOD Set 3.1: A 7 ASN : amide:sc= -9.69! C(o=-12!,f=-22!) USER MOD Set 3.2: A 10 THR OG1 : rot -31:sc= -2.05! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 14 GLN : amide:sc= -0.61 K(o=-0.61,f=-2.2) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0.46 (180deg=0.288) USER MOD Single : A 37 TYR OH : rot 36:sc= 0.145 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 158:sc= -5.91! (180deg=-8.09!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.19) USER MOD Single : A 73 SER OG : rot -164:sc= -1.13 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.771 (180deg=-1.84) USER MOD Single : A 82 MET CE :methyl 144:sc= -0.269 (180deg=-2.13) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00492 USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.448 6.860 30.866 1.00 3.92 N ATOM 2 CA PRO A 1 2.483 6.991 29.739 1.00 3.44 C ATOM 3 C PRO A 1 1.513 8.148 30.000 1.00 3.50 C ATOM 4 O PRO A 1 0.328 7.948 30.193 1.00 4.94 O ATOM 5 CB PRO A 1 1.746 5.656 29.731 1.00 2.00 C ATOM 6 CG PRO A 1 1.866 5.146 31.128 1.00 4.99 C ATOM 7 CD PRO A 1 3.168 5.671 31.676 1.00 3.38 C ATOM 0 H2 PRO A 1 3.402 7.692 31.454 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.398 6.807 30.498 1.00 3.92 H new ATOM 0 HA PRO A 1 2.967 7.206 28.786 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.702 5.782 29.444 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.191 4.963 29.017 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.027 5.484 31.736 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.852 4.056 31.144 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.083 5.921 32.733 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.964 4.932 31.586 1.00 3.38 H new ATOM 17 N THR A 2 2.007 9.356 30.007 1.00 3.08 N ATOM 18 CA THR A 2 1.117 10.525 30.256 1.00 2.08 C ATOM 19 C THR A 2 0.781 11.229 28.939 1.00 2.52 C ATOM 20 O THR A 2 1.643 11.481 28.121 1.00 2.28 O ATOM 21 CB THR A 2 1.925 11.452 31.166 1.00 3.47 C ATOM 22 OG1 THR A 2 2.120 10.825 32.425 1.00 3.73 O ATOM 23 CG2 THR A 2 1.168 12.767 31.358 1.00 3.09 C ATOM 0 H THR A 2 2.989 9.584 29.851 1.00 3.08 H new ATOM 0 HA THR A 2 0.170 10.231 30.708 1.00 2.08 H new ATOM 0 HB THR A 2 2.893 11.657 30.710 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.639 11.417 33.008 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.744 13.427 32.006 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.021 13.247 30.390 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.199 12.566 31.814 1.00 3.09 H new ATOM 31 N VAL A 3 -0.466 11.551 28.730 1.00 10.00 N ATOM 32 CA VAL A 3 -0.858 12.245 27.469 1.00 10.00 C ATOM 33 C VAL A 3 -1.664 13.502 27.799 1.00 10.00 C ATOM 34 O VAL A 3 -2.703 13.437 28.421 1.00 10.00 O ATOM 35 CB VAL A 3 -1.720 11.234 26.712 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.394 11.925 25.525 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.835 10.094 26.202 1.00 10.00 C ATOM 0 H VAL A 3 -1.231 11.364 29.378 1.00 10.00 H new ATOM 0 HA VAL A 3 0.003 12.562 26.880 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.483 10.834 27.380 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -3.008 11.204 24.985 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -3.022 12.739 25.887 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.632 12.325 24.856 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.447 9.372 25.662 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.073 10.496 25.534 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.353 9.602 27.047 1.00 10.00 H new ATOM 47 N GLU A 4 -1.190 14.647 27.394 1.00 10.00 N ATOM 48 CA GLU A 4 -1.929 15.909 27.694 1.00 10.00 C ATOM 49 C GLU A 4 -2.981 16.187 26.616 1.00 10.00 C ATOM 50 O GLU A 4 -2.658 16.411 25.467 1.00 10.00 O ATOM 51 CB GLU A 4 -0.859 16.999 27.688 1.00 50.00 C ATOM 52 CG GLU A 4 -1.286 18.139 28.615 1.00 50.00 C ATOM 53 CD GLU A 4 -0.125 19.123 28.777 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.958 18.812 28.313 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.341 20.171 29.365 1.00 50.00 O ATOM 0 H GLU A 4 -0.324 14.765 26.869 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.461 15.857 28.644 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.096 16.588 28.016 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.713 17.375 26.675 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.156 18.651 28.204 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.579 17.742 29.587 1.00 50.00 H new ATOM 62 N TYR A 5 -4.237 16.183 26.977 1.00 10.00 N ATOM 63 CA TYR A 5 -5.297 16.459 25.963 1.00 10.00 C ATOM 64 C TYR A 5 -5.703 17.935 26.016 1.00 10.00 C ATOM 65 O TYR A 5 -5.912 18.496 27.073 1.00 10.00 O ATOM 66 CB TYR A 5 -6.473 15.554 26.341 1.00 10.00 C ATOM 67 CG TYR A 5 -7.020 15.943 27.696 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.882 17.041 27.818 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.669 15.201 28.830 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.392 17.395 29.074 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.178 15.557 30.085 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.038 16.654 30.207 1.00 50.00 C ATOM 73 OH TYR A 5 -8.539 17.003 31.445 1.00 50.00 O ATOM 0 H TYR A 5 -4.573 16.002 27.923 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.956 16.261 24.947 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.258 15.632 25.588 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.149 14.513 26.357 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.153 17.614 26.944 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.006 14.354 28.737 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.058 18.240 29.168 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.907 14.984 30.960 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.435 17.386 31.339 1.00 50.00 H new ATOM 83 N LEU A 6 -5.805 18.569 24.881 1.00 10.00 N ATOM 84 CA LEU A 6 -6.191 20.009 24.859 1.00 10.00 C ATOM 85 C LEU A 6 -7.330 20.224 23.856 1.00 10.00 C ATOM 86 O LEU A 6 -7.145 20.129 22.658 1.00 10.00 O ATOM 87 CB LEU A 6 -4.912 20.747 24.432 1.00 12.50 C ATOM 88 CG LEU A 6 -5.220 22.182 23.963 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.448 22.743 24.689 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.014 23.074 24.264 1.00 50.00 C ATOM 0 H LEU A 6 -5.637 18.152 23.965 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.556 20.371 25.820 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.212 20.778 25.267 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.424 20.197 23.628 1.00 12.50 H new ATOM 0 HG LEU A 6 -5.425 22.163 22.893 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.645 23.757 24.341 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -7.313 22.113 24.481 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -6.260 22.758 25.763 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.223 24.092 23.935 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.819 23.072 25.336 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.140 22.694 23.735 1.00 50.00 H new ATOM 102 N ASN A 7 -8.512 20.498 24.342 1.00 10.00 N ATOM 103 CA ASN A 7 -9.673 20.705 23.428 1.00 10.00 C ATOM 104 C ASN A 7 -9.306 21.650 22.284 1.00 10.00 C ATOM 105 O ASN A 7 -8.945 22.790 22.499 1.00 10.00 O ATOM 106 CB ASN A 7 -10.758 21.332 24.306 1.00 10.00 C ATOM 107 CG ASN A 7 -10.369 22.769 24.657 1.00 10.00 C ATOM 108 OD1 ASN A 7 -9.208 23.071 24.839 1.00 12.50 O ATOM 109 ND2 ASN A 7 -11.303 23.676 24.764 1.00 12.50 N ATOM 0 H ASN A 7 -8.724 20.588 25.336 1.00 10.00 H new ATOM 0 HA ASN A 7 -9.998 19.772 22.968 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.714 21.321 23.783 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.886 20.747 25.217 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -11.056 24.637 25.000 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.279 23.423 24.611 1.00 12.50 H new ATOM 116 N TYR A 8 -9.411 21.190 21.067 1.00 50.00 N ATOM 117 CA TYR A 8 -9.085 22.073 19.913 1.00 50.00 C ATOM 118 C TYR A 8 -9.983 23.310 19.958 1.00 50.00 C ATOM 119 O TYR A 8 -9.669 24.342 19.400 1.00 50.00 O ATOM 120 CB TYR A 8 -9.376 21.229 18.668 1.00 50.00 C ATOM 121 CG TYR A 8 -9.539 22.131 17.466 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.723 22.857 17.295 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.507 22.243 16.526 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.877 23.695 16.184 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.659 23.081 15.415 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.845 23.807 15.244 1.00 50.00 C ATOM 127 OH TYR A 8 -9.995 24.633 14.149 1.00 50.00 O ATOM 0 H TYR A 8 -9.707 20.245 20.823 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.052 22.420 19.922 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.563 20.523 18.497 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.282 20.641 18.819 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.518 22.771 18.020 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.593 21.683 16.658 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.791 24.255 16.052 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.863 23.168 14.690 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.186 24.595 13.598 1.00 50.00 H new ATOM 137 N GLU A 9 -11.100 23.210 20.628 1.00 25.00 N ATOM 138 CA GLU A 9 -12.018 24.379 20.723 1.00 25.00 C ATOM 139 C GLU A 9 -11.266 25.561 21.330 1.00 25.00 C ATOM 140 O GLU A 9 -11.414 26.691 20.909 1.00 25.00 O ATOM 141 CB GLU A 9 -13.144 23.922 21.650 1.00 50.00 C ATOM 142 CG GLU A 9 -14.327 24.885 21.532 1.00 50.00 C ATOM 143 CD GLU A 9 -15.324 24.345 20.504 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.073 23.277 19.969 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.321 25.008 20.269 1.00 50.00 O ATOM 0 H GLU A 9 -11.415 22.370 21.113 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.402 24.698 19.754 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.457 22.911 21.388 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -12.790 23.889 22.680 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.814 25.001 22.500 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -13.977 25.873 21.231 1.00 50.00 H new ATOM 152 N THR A 10 -10.450 25.300 22.313 1.00 50.00 N ATOM 153 CA THR A 10 -9.672 26.399 22.948 1.00 50.00 C ATOM 154 C THR A 10 -8.704 26.999 21.926 1.00 50.00 C ATOM 155 O THR A 10 -8.346 28.158 21.999 1.00 50.00 O ATOM 156 CB THR A 10 -8.907 25.728 24.092 1.00 50.00 C ATOM 157 OG1 THR A 10 -9.784 25.539 25.194 1.00 50.00 O ATOM 158 CG2 THR A 10 -7.732 26.610 24.518 1.00 50.00 C ATOM 0 H THR A 10 -10.288 24.372 22.704 1.00 50.00 H new ATOM 0 HA THR A 10 -10.303 27.211 23.308 1.00 50.00 H new ATOM 0 HB THR A 10 -8.526 24.764 23.756 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.453 26.255 25.206 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.191 26.128 25.332 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.060 26.755 23.672 1.00 50.00 H new ATOM 0 HG23 THR A 10 -8.106 27.577 24.854 1.00 50.00 H new ATOM 166 N LEU A 11 -8.285 26.217 20.968 1.00 50.00 N ATOM 167 CA LEU A 11 -7.347 26.743 19.937 1.00 50.00 C ATOM 168 C LEU A 11 -8.069 27.763 19.053 1.00 50.00 C ATOM 169 O LEU A 11 -7.567 28.837 18.788 1.00 50.00 O ATOM 170 CB LEU A 11 -6.931 25.521 19.117 1.00 50.00 C ATOM 171 CG LEU A 11 -5.423 25.564 18.865 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.013 24.361 18.014 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.064 26.857 18.128 1.00 50.00 C ATOM 0 H LEU A 11 -8.551 25.239 20.855 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.486 27.248 20.375 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -7.196 24.607 19.648 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.468 25.506 18.169 1.00 50.00 H new ATOM 0 HG LEU A 11 -4.895 25.531 19.818 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -3.938 24.392 17.834 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.267 23.440 18.539 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.541 24.393 17.061 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -3.989 26.887 17.949 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -5.592 26.891 17.175 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.355 27.714 18.735 1.00 50.00 H new ATOM 185 N ASP A 12 -9.248 27.434 18.598 1.00 50.00 N ATOM 186 CA ASP A 12 -10.007 28.384 17.736 1.00 50.00 C ATOM 187 C ASP A 12 -10.636 29.482 18.598 1.00 50.00 C ATOM 188 O ASP A 12 -10.631 30.644 18.241 1.00 50.00 O ATOM 189 CB ASP A 12 -11.092 27.535 17.072 1.00 50.00 C ATOM 190 CG ASP A 12 -11.854 28.385 16.053 1.00 50.00 C ATOM 191 OD1 ASP A 12 -11.327 28.598 14.974 1.00 50.00 O ATOM 192 OD2 ASP A 12 -12.954 28.809 16.370 1.00 50.00 O ATOM 0 H ASP A 12 -9.718 26.548 18.786 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.372 28.878 17.001 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.643 26.673 16.579 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.779 27.149 17.826 1.00 50.00 H new ATOM 197 N ASP A 13 -11.174 29.123 19.731 1.00 50.00 N ATOM 198 CA ASP A 13 -11.799 30.146 20.616 1.00 50.00 C ATOM 199 C ASP A 13 -10.820 31.298 20.857 1.00 50.00 C ATOM 200 O ASP A 13 -11.069 32.426 20.481 1.00 50.00 O ATOM 201 CB ASP A 13 -12.095 29.412 21.925 1.00 50.00 C ATOM 202 CG ASP A 13 -12.391 30.434 23.024 1.00 50.00 C ATOM 203 OD1 ASP A 13 -12.959 31.466 22.709 1.00 50.00 O ATOM 204 OD2 ASP A 13 -12.045 30.166 24.163 1.00 50.00 O ATOM 0 H ASP A 13 -11.208 28.166 20.082 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.700 30.577 20.179 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.946 28.744 21.796 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.244 28.793 22.208 1.00 50.00 H new ATOM 209 N GLN A 14 -9.706 31.022 21.478 1.00 50.00 N ATOM 210 CA GLN A 14 -8.712 32.103 21.737 1.00 50.00 C ATOM 211 C GLN A 14 -8.084 32.561 20.418 1.00 50.00 C ATOM 212 O GLN A 14 -7.653 33.688 20.282 1.00 50.00 O ATOM 213 CB GLN A 14 -7.657 31.464 22.641 1.00 50.00 C ATOM 214 CG GLN A 14 -8.336 30.887 23.885 1.00 50.00 C ATOM 215 CD GLN A 14 -8.337 31.934 25.000 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.259 33.119 24.737 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.423 31.547 26.243 1.00 50.00 N ATOM 0 H GLN A 14 -9.441 30.097 21.817 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.163 32.981 22.199 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -7.130 30.676 22.103 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -6.913 32.206 22.930 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -9.358 30.591 23.650 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.812 29.990 24.215 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -8.488 30.553 26.464 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -8.425 32.238 26.993 1.00 50.00 H new ATOM 226 N GLY A 15 -8.034 31.693 19.444 1.00 50.00 N ATOM 227 CA GLY A 15 -7.438 32.076 18.134 1.00 50.00 C ATOM 228 C GLY A 15 -5.912 32.034 18.239 1.00 50.00 C ATOM 229 O GLY A 15 -5.228 32.963 17.859 1.00 50.00 O ATOM 0 H GLY A 15 -8.380 30.735 19.500 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.779 31.395 17.354 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.767 33.076 17.851 1.00 50.00 H new ATOM 233 N TRP A 16 -5.371 30.962 18.753 1.00 50.00 N ATOM 234 CA TRP A 16 -3.890 30.866 18.882 1.00 50.00 C ATOM 235 C TRP A 16 -3.322 29.938 17.805 1.00 50.00 C ATOM 236 O TRP A 16 -4.050 29.371 17.014 1.00 50.00 O ATOM 237 CB TRP A 16 -3.652 30.287 20.278 1.00 50.00 C ATOM 238 CG TRP A 16 -3.810 31.372 21.296 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.519 32.677 21.089 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.293 31.273 22.667 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.791 33.385 22.246 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.271 32.563 23.247 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.743 30.198 23.456 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.680 32.781 24.564 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.155 30.414 24.781 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.125 31.702 25.334 1.00 50.00 C ATOM 0 H TRP A 16 -5.890 30.151 19.088 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.400 31.831 18.754 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.359 29.481 20.476 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.653 29.857 20.340 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.137 33.097 20.171 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.654 34.391 22.347 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.772 29.202 23.040 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.653 33.775 24.985 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.497 29.582 25.378 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.445 31.861 26.353 1.00 50.00 H new ATOM 257 N ASP A 17 -2.027 29.785 17.764 1.00 50.00 N ATOM 258 CA ASP A 17 -1.413 28.899 16.733 1.00 50.00 C ATOM 259 C ASP A 17 -1.578 27.427 17.120 1.00 50.00 C ATOM 260 O ASP A 17 -2.034 27.105 18.199 1.00 50.00 O ATOM 261 CB ASP A 17 0.067 29.282 16.715 1.00 50.00 C ATOM 262 CG ASP A 17 0.345 30.187 15.514 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.339 29.682 14.403 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.561 31.369 15.725 1.00 50.00 O ATOM 0 H ASP A 17 -1.367 30.234 18.399 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.883 29.021 15.757 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.332 29.795 17.639 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.685 28.386 16.659 1.00 50.00 H new ATOM 269 N MET A 18 -1.208 26.533 16.244 1.00 50.00 N ATOM 270 CA MET A 18 -1.338 25.081 16.556 1.00 50.00 C ATOM 271 C MET A 18 -0.298 24.673 17.602 1.00 50.00 C ATOM 272 O MET A 18 -0.617 24.061 18.603 1.00 50.00 O ATOM 273 CB MET A 18 -1.075 24.369 15.228 1.00 50.00 C ATOM 274 CG MET A 18 -2.260 23.458 14.896 1.00 50.00 C ATOM 275 SD MET A 18 -3.375 24.310 13.753 1.00 50.00 S ATOM 276 CE MET A 18 -4.223 22.840 13.123 1.00 50.00 C ATOM 0 H MET A 18 -0.821 26.746 15.325 1.00 50.00 H new ATOM 0 HA MET A 18 -2.316 24.829 16.966 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.931 25.100 14.433 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.158 23.783 15.292 1.00 50.00 H new ATOM 0 HG2 MET A 18 -1.905 22.529 14.450 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.793 23.190 15.808 1.00 50.00 H new ATOM 0 HE1 MET A 18 -4.970 23.138 12.388 1.00 50.00 H new ATOM 0 HE2 MET A 18 -3.498 22.175 12.654 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.712 22.321 13.947 1.00 50.00 H new ATOM 286 N ASP A 19 0.943 25.006 17.379 1.00 50.00 N ATOM 287 CA ASP A 19 2.003 24.637 18.360 1.00 50.00 C ATOM 288 C ASP A 19 2.879 25.855 18.674 1.00 50.00 C ATOM 289 O ASP A 19 3.844 25.764 19.405 1.00 50.00 O ATOM 290 CB ASP A 19 2.822 23.549 17.667 1.00 50.00 C ATOM 291 CG ASP A 19 1.934 22.331 17.406 1.00 50.00 C ATOM 292 OD1 ASP A 19 0.870 22.510 16.838 1.00 50.00 O ATOM 293 OD2 ASP A 19 2.332 21.240 17.781 1.00 50.00 O ATOM 0 H ASP A 19 1.270 25.518 16.560 1.00 50.00 H new ATOM 0 HA ASP A 19 1.589 24.292 19.307 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.226 23.926 16.727 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.671 23.267 18.289 1.00 50.00 H new ATOM 298 N ASP A 20 2.551 26.991 18.122 1.00 50.00 N ATOM 299 CA ASP A 20 3.366 28.212 18.385 1.00 50.00 C ATOM 300 C ASP A 20 2.996 28.824 19.739 1.00 50.00 C ATOM 301 O ASP A 20 3.849 29.106 20.557 1.00 50.00 O ATOM 302 CB ASP A 20 3.012 29.173 17.250 1.00 50.00 C ATOM 303 CG ASP A 20 4.270 29.922 16.806 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.318 29.669 17.377 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.164 30.736 15.903 1.00 50.00 O ATOM 0 H ASP A 20 1.754 27.127 17.500 1.00 50.00 H new ATOM 0 HA ASP A 20 4.433 27.993 18.421 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.589 28.621 16.411 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.252 29.881 17.582 1.00 50.00 H new ATOM 310 N ASP A 21 1.731 29.037 19.981 1.00 50.00 N ATOM 311 CA ASP A 21 1.311 29.639 21.281 1.00 50.00 C ATOM 312 C ASP A 21 1.361 28.594 22.399 1.00 50.00 C ATOM 313 O ASP A 21 1.000 28.862 23.528 1.00 50.00 O ATOM 314 CB ASP A 21 -0.126 30.109 21.054 1.00 50.00 C ATOM 315 CG ASP A 21 -0.564 30.994 22.223 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.099 31.989 22.468 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.555 30.663 22.853 1.00 50.00 O ATOM 0 H ASP A 21 0.970 28.821 19.337 1.00 50.00 H new ATOM 0 HA ASP A 21 1.967 30.455 21.584 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.195 30.664 20.118 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.791 29.250 20.965 1.00 50.00 H new ATOM 322 N ASP A 22 1.806 27.406 22.098 1.00 50.00 N ATOM 323 CA ASP A 22 1.876 26.350 23.149 1.00 50.00 C ATOM 324 C ASP A 22 0.600 26.365 23.992 1.00 50.00 C ATOM 325 O ASP A 22 0.642 26.462 25.203 1.00 50.00 O ATOM 326 CB ASP A 22 3.088 26.721 24.003 1.00 50.00 C ATOM 327 CG ASP A 22 4.250 25.781 23.675 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.594 25.681 22.509 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.774 25.176 24.596 1.00 50.00 O ATOM 0 H ASP A 22 2.124 27.120 21.172 1.00 50.00 H new ATOM 0 HA ASP A 22 1.968 25.349 22.727 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.378 27.755 23.813 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.836 26.650 25.061 1.00 50.00 H new ATOM 334 N LEU A 23 -0.535 26.269 23.359 1.00 50.00 N ATOM 335 CA LEU A 23 -1.821 26.279 24.115 1.00 50.00 C ATOM 336 C LEU A 23 -1.699 25.429 25.385 1.00 50.00 C ATOM 337 O LEU A 23 -2.065 25.854 26.462 1.00 50.00 O ATOM 338 CB LEU A 23 -2.843 25.671 23.155 1.00 50.00 C ATOM 339 CG LEU A 23 -3.033 26.606 21.959 1.00 50.00 C ATOM 340 CD1 LEU A 23 -2.410 25.974 20.712 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.529 26.833 21.723 1.00 50.00 C ATOM 0 H LEU A 23 -0.629 26.184 22.347 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.106 27.281 24.435 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.503 24.693 22.816 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.793 25.518 23.666 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.547 27.560 22.163 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.545 26.640 19.860 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -1.345 25.811 20.880 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.895 25.020 20.507 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.666 27.499 20.871 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.014 25.878 21.519 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.973 27.283 22.611 1.00 50.00 H new ATOM 353 N PHE A 24 -1.180 24.236 25.271 1.00 50.00 N ATOM 354 CA PHE A 24 -1.031 23.373 26.477 1.00 50.00 C ATOM 355 C PHE A 24 -0.453 24.199 27.623 1.00 50.00 C ATOM 356 O PHE A 24 -0.713 23.950 28.783 1.00 50.00 O ATOM 357 CB PHE A 24 -0.049 22.272 26.068 1.00 50.00 C ATOM 358 CG PHE A 24 -0.753 21.269 25.187 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.595 20.307 25.758 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.563 21.300 23.801 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.248 19.377 24.941 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.217 20.371 22.984 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.059 19.409 23.554 1.00 50.00 C ATOM 0 H PHE A 24 -0.854 23.823 24.397 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.981 22.959 26.813 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.799 22.705 25.538 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.348 21.777 26.954 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.740 20.283 26.828 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.088 22.041 23.362 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.898 18.635 25.380 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.072 20.396 21.914 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.563 18.691 22.924 1.00 50.00 H new ATOM 373 N GLU A 25 0.330 25.188 27.295 1.00 50.00 N ATOM 374 CA GLU A 25 0.934 26.047 28.354 1.00 50.00 C ATOM 375 C GLU A 25 -0.055 27.139 28.770 1.00 50.00 C ATOM 376 O GLU A 25 -0.317 27.341 29.939 1.00 50.00 O ATOM 377 CB GLU A 25 2.174 26.665 27.707 1.00 50.00 C ATOM 378 CG GLU A 25 3.208 26.989 28.789 1.00 50.00 C ATOM 379 CD GLU A 25 3.704 28.425 28.608 1.00 50.00 C ATOM 380 OE1 GLU A 25 3.604 28.930 27.501 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.175 28.995 29.578 1.00 50.00 O ATOM 0 H GLU A 25 0.579 25.440 26.338 1.00 50.00 H new ATOM 0 HA GLU A 25 1.184 25.482 29.252 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.599 25.975 26.978 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.902 27.571 27.167 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.765 26.868 29.778 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.045 26.293 28.727 1.00 50.00 H new ATOM 388 N LYS A 26 -0.607 27.841 27.819 1.00 50.00 N ATOM 389 CA LYS A 26 -1.581 28.917 28.159 1.00 50.00 C ATOM 390 C LYS A 26 -2.869 28.304 28.713 1.00 50.00 C ATOM 391 O LYS A 26 -3.579 28.918 29.486 1.00 50.00 O ATOM 392 CB LYS A 26 -1.849 29.638 26.837 1.00 50.00 C ATOM 393 CG LYS A 26 -0.996 30.908 26.767 1.00 50.00 C ATOM 394 CD LYS A 26 -0.089 30.849 25.535 1.00 50.00 C ATOM 395 CE LYS A 26 1.345 30.539 25.971 1.00 50.00 C ATOM 396 NZ LYS A 26 2.176 30.762 24.753 1.00 50.00 N ATOM 0 H LYS A 26 -0.426 27.717 26.823 1.00 50.00 H new ATOM 0 HA LYS A 26 -1.201 29.597 28.922 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -1.614 28.982 25.999 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -2.906 29.892 26.757 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.638 31.787 26.717 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -0.394 31.004 27.670 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -0.444 30.083 24.845 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -0.121 31.799 25.001 1.00 50.00 H new ATOM 0 HE2 LYS A 26 1.659 31.190 26.787 1.00 50.00 H new ATOM 0 HE3 LYS A 26 1.436 29.513 26.328 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 3.165 30.921 25.032 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 2.120 29.926 24.137 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 1.823 31.594 24.239 1.00 50.00 H new ATOM 410 N ALA A 27 -3.175 27.096 28.327 1.00 50.00 N ATOM 411 CA ALA A 27 -4.416 26.441 28.834 1.00 50.00 C ATOM 412 C ALA A 27 -4.210 25.969 30.276 1.00 50.00 C ATOM 413 O ALA A 27 -5.118 25.474 30.913 1.00 50.00 O ATOM 414 CB ALA A 27 -4.641 25.247 27.907 1.00 50.00 C ATOM 0 H ALA A 27 -2.620 26.533 27.682 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.270 27.119 28.839 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.539 24.711 28.215 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.762 25.599 26.883 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.783 24.578 27.961 1.00 50.00 H new ATOM 420 N ALA A 28 -3.021 26.116 30.794 1.00 50.00 N ATOM 421 CA ALA A 28 -2.756 25.674 32.193 1.00 50.00 C ATOM 422 C ALA A 28 -2.902 26.853 33.159 1.00 50.00 C ATOM 423 O ALA A 28 -3.097 26.677 34.345 1.00 50.00 O ATOM 424 CB ALA A 28 -1.312 25.168 32.181 1.00 50.00 C ATOM 0 H ALA A 28 -2.221 26.523 30.309 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.456 24.906 32.522 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.039 24.823 33.178 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.221 24.343 31.474 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.646 25.977 31.882 1.00 50.00 H new ATOM 430 N ASP A 29 -2.810 28.055 32.660 1.00 50.00 N ATOM 431 CA ASP A 29 -2.944 29.243 33.551 1.00 50.00 C ATOM 432 C ASP A 29 -4.354 29.828 33.441 1.00 50.00 C ATOM 433 O ASP A 29 -4.807 30.551 34.307 1.00 50.00 O ATOM 434 CB ASP A 29 -1.906 30.241 33.038 1.00 50.00 C ATOM 435 CG ASP A 29 -1.068 30.753 34.210 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.123 30.075 34.579 1.00 50.00 O ATOM 437 OD2 ASP A 29 -1.384 31.816 34.720 1.00 50.00 O ATOM 0 H ASP A 29 -2.648 28.266 31.675 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.785 28.994 34.600 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -1.263 29.765 32.298 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -2.402 31.074 32.540 1.00 50.00 H new ATOM 442 N ALA A 30 -5.054 29.519 32.384 1.00 50.00 N ATOM 443 CA ALA A 30 -6.434 30.057 32.221 1.00 50.00 C ATOM 444 C ALA A 30 -7.413 29.259 33.088 1.00 50.00 C ATOM 445 O ALA A 30 -8.530 29.675 33.323 1.00 50.00 O ATOM 446 CB ALA A 30 -6.759 29.875 30.738 1.00 50.00 C ATOM 0 H ALA A 30 -4.730 28.918 31.627 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.512 31.100 32.528 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.763 30.249 30.537 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -6.038 30.429 30.137 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.708 28.817 30.481 1.00 50.00 H new ATOM 452 N GLY A 31 -7.002 28.117 33.565 1.00 50.00 N ATOM 453 CA GLY A 31 -7.906 27.295 34.417 1.00 50.00 C ATOM 454 C GLY A 31 -9.131 26.876 33.603 1.00 50.00 C ATOM 455 O GLY A 31 -10.208 26.694 34.133 1.00 50.00 O ATOM 0 H GLY A 31 -6.078 27.717 33.401 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.378 26.413 34.781 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.216 27.865 35.293 1.00 50.00 H new ATOM 459 N LEU A 32 -8.976 26.722 32.316 1.00 50.00 N ATOM 460 CA LEU A 32 -10.134 26.315 31.469 1.00 50.00 C ATOM 461 C LEU A 32 -10.742 25.013 31.996 1.00 50.00 C ATOM 462 O LEU A 32 -10.173 24.347 32.839 1.00 50.00 O ATOM 463 CB LEU A 32 -9.550 26.110 30.071 1.00 50.00 C ATOM 464 CG LEU A 32 -10.055 27.217 29.142 1.00 50.00 C ATOM 465 CD1 LEU A 32 -8.899 28.156 28.794 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.611 26.594 27.860 1.00 50.00 C ATOM 0 H LEU A 32 -8.099 26.860 31.815 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.930 27.059 31.471 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.461 26.125 30.114 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.840 25.134 29.683 1.00 50.00 H new ATOM 0 HG LEU A 32 -10.843 27.780 29.642 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -9.257 28.945 28.132 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -8.504 28.600 29.707 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.111 27.593 28.294 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.971 27.382 27.199 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.824 26.030 27.359 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.435 25.925 28.108 1.00 50.00 H new ATOM 478 N ASP A 33 -11.894 24.646 31.508 1.00 50.00 N ATOM 479 CA ASP A 33 -12.539 23.388 31.983 1.00 50.00 C ATOM 480 C ASP A 33 -11.558 22.217 31.886 1.00 50.00 C ATOM 481 O ASP A 33 -10.760 22.136 30.974 1.00 50.00 O ATOM 482 CB ASP A 33 -13.726 23.170 31.044 1.00 50.00 C ATOM 483 CG ASP A 33 -14.986 23.775 31.665 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.636 23.081 32.431 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.281 24.919 31.366 1.00 50.00 O ATOM 0 H ASP A 33 -12.418 25.162 30.801 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.850 23.455 33.026 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.527 23.631 30.076 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.871 22.105 30.866 1.00 50.00 H new ATOM 490 N GLY A 34 -11.614 21.305 32.820 1.00 50.00 N ATOM 491 CA GLY A 34 -10.689 20.139 32.777 1.00 50.00 C ATOM 492 C GLY A 34 -11.098 19.214 31.630 1.00 50.00 C ATOM 493 O GLY A 34 -10.273 18.573 31.010 1.00 50.00 O ATOM 0 H GLY A 34 -12.260 21.318 33.609 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.663 20.479 32.638 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.720 19.600 33.724 1.00 50.00 H new ATOM 497 N GLU A 35 -12.368 19.146 31.342 1.00 50.00 N ATOM 498 CA GLU A 35 -12.837 18.269 30.232 1.00 50.00 C ATOM 499 C GLU A 35 -12.238 18.742 28.905 1.00 50.00 C ATOM 500 O GLU A 35 -12.273 18.045 27.911 1.00 50.00 O ATOM 501 CB GLU A 35 -14.358 18.422 30.221 1.00 50.00 C ATOM 502 CG GLU A 35 -14.931 17.739 28.978 1.00 50.00 C ATOM 503 CD GLU A 35 -16.454 17.894 28.967 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.918 18.967 28.618 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.130 16.938 29.309 1.00 50.00 O ATOM 0 H GLU A 35 -13.103 19.660 31.828 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.536 17.230 30.367 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.785 17.980 31.121 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.628 19.478 30.226 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.503 18.180 28.078 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.662 16.683 28.974 1.00 50.00 H new ATOM 512 N ASP A 36 -11.687 19.924 28.888 1.00 50.00 N ATOM 513 CA ASP A 36 -11.081 20.448 27.631 1.00 50.00 C ATOM 514 C ASP A 36 -9.560 20.282 27.674 1.00 50.00 C ATOM 515 O ASP A 36 -8.977 19.594 26.860 1.00 50.00 O ATOM 516 CB ASP A 36 -11.459 21.929 27.595 1.00 50.00 C ATOM 517 CG ASP A 36 -12.869 22.083 27.020 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.479 21.070 26.721 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.314 23.211 26.889 1.00 50.00 O ATOM 0 H ASP A 36 -11.630 20.551 29.691 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.435 19.918 26.747 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.416 22.350 28.599 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.744 22.483 26.986 1.00 50.00 H new ATOM 524 N TYR A 37 -8.915 20.906 28.621 1.00 12.50 N ATOM 525 CA TYR A 37 -7.432 20.783 28.719 1.00 12.50 C ATOM 526 C TYR A 37 -7.045 20.115 30.042 1.00 12.50 C ATOM 527 O TYR A 37 -7.518 20.485 31.098 1.00 12.50 O ATOM 528 CB TYR A 37 -6.913 22.220 28.666 1.00 12.50 C ATOM 529 CG TYR A 37 -5.478 22.258 29.138 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.447 21.876 28.273 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.182 22.674 30.441 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.118 21.910 28.711 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.854 22.707 30.880 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.821 22.325 30.015 1.00 12.50 C ATOM 535 OH TYR A 37 -1.511 22.358 30.448 1.00 50.00 O ATOM 0 H TYR A 37 -9.350 21.495 29.331 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.012 20.170 27.921 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.982 22.605 27.649 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.530 22.864 29.293 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.676 21.555 27.268 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.979 22.970 31.108 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.322 21.616 28.043 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.626 23.027 31.886 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.929 22.633 29.709 1.00 50.00 H new ATOM 545 N GLY A 38 -6.187 19.133 29.990 1.00 10.00 N ATOM 546 CA GLY A 38 -5.769 18.440 31.240 1.00 10.00 C ATOM 547 C GLY A 38 -4.784 17.321 30.895 1.00 10.00 C ATOM 548 O GLY A 38 -4.786 16.794 29.801 1.00 10.00 O ATOM 0 H GLY A 38 -5.757 18.781 29.135 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.305 19.150 31.925 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.640 18.028 31.750 1.00 10.00 H new ATOM 552 N THR A 39 -3.941 16.955 31.819 1.00 10.00 N ATOM 553 CA THR A 39 -2.956 15.870 31.542 1.00 10.00 C ATOM 554 C THR A 39 -3.628 14.502 31.678 1.00 10.00 C ATOM 555 O THR A 39 -4.088 14.129 32.739 1.00 10.00 O ATOM 556 CB THR A 39 -1.866 16.045 32.601 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.556 17.425 32.732 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.613 15.275 32.177 1.00 50.00 C ATOM 0 H THR A 39 -3.890 17.359 32.754 1.00 10.00 H new ATOM 0 HA THR A 39 -2.551 15.924 30.531 1.00 10.00 H new ATOM 0 HB THR A 39 -2.220 15.659 33.557 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.859 17.541 33.411 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.164 15.400 32.932 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.853 14.217 32.075 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.256 15.659 31.222 1.00 50.00 H new ATOM 566 N MET A 40 -3.689 13.751 30.613 1.00 10.00 N ATOM 567 CA MET A 40 -4.332 12.409 30.684 1.00 10.00 C ATOM 568 C MET A 40 -3.314 11.360 31.135 1.00 10.00 C ATOM 569 O MET A 40 -2.140 11.451 30.835 1.00 10.00 O ATOM 570 CB MET A 40 -4.806 12.115 29.260 1.00 10.00 C ATOM 571 CG MET A 40 -6.263 11.652 29.292 1.00 10.00 C ATOM 572 SD MET A 40 -6.951 11.708 27.619 1.00 12.50 S ATOM 573 CE MET A 40 -6.662 9.973 27.195 1.00 50.00 C ATOM 0 H MET A 40 -3.321 14.009 29.697 1.00 10.00 H new ATOM 0 HA MET A 40 -5.155 12.385 31.399 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.711 13.008 28.642 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.179 11.346 28.808 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.325 10.639 29.688 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.844 12.291 29.957 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.335 9.678 26.390 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.629 9.845 26.870 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.847 9.349 28.069 1.00 50.00 H new ATOM 583 N GLU A 41 -3.753 10.363 31.852 1.00 10.00 N ATOM 584 CA GLU A 41 -2.809 9.309 32.321 1.00 10.00 C ATOM 585 C GLU A 41 -3.340 7.924 31.943 1.00 10.00 C ATOM 586 O GLU A 41 -4.291 7.436 32.522 1.00 10.00 O ATOM 587 CB GLU A 41 -2.759 9.469 33.839 1.00 10.00 C ATOM 588 CG GLU A 41 -1.597 10.387 34.220 1.00 10.00 C ATOM 589 CD GLU A 41 -1.875 11.022 35.585 1.00 12.50 C ATOM 590 OE1 GLU A 41 -3.035 11.243 35.888 1.00 12.50 O ATOM 591 OE2 GLU A 41 -0.921 11.274 36.303 1.00 12.50 O ATOM 0 H GLU A 41 -4.725 10.232 32.134 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.821 9.406 31.870 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -3.699 9.885 34.202 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.637 8.495 34.314 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.667 9.819 34.254 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.470 11.163 33.465 1.00 10.00 H new ATOM 598 N VAL A 42 -2.735 7.285 30.979 1.00 10.00 N ATOM 599 CA VAL A 42 -3.213 5.932 30.572 1.00 10.00 C ATOM 600 C VAL A 42 -2.104 4.896 30.780 1.00 10.00 C ATOM 601 O VAL A 42 -0.933 5.189 30.642 1.00 10.00 O ATOM 602 CB VAL A 42 -3.569 6.060 29.089 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.353 7.354 28.861 1.00 10.00 C ATOM 604 CG2 VAL A 42 -2.290 6.087 28.251 1.00 10.00 C ATOM 0 H VAL A 42 -1.933 7.639 30.457 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.068 5.601 31.162 1.00 10.00 H new ATOM 0 HB VAL A 42 -4.178 5.207 28.791 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.606 7.445 27.805 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -5.268 7.334 29.453 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.744 8.206 29.163 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -2.548 6.178 27.196 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -1.677 6.938 28.550 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -1.732 5.164 28.409 1.00 10.00 H new ATOM 614 N ALA A 43 -2.466 3.687 31.114 1.00 10.00 N ATOM 615 CA ALA A 43 -1.434 2.631 31.335 1.00 10.00 C ATOM 616 C ALA A 43 -0.708 2.312 30.025 1.00 10.00 C ATOM 617 O ALA A 43 -1.152 2.674 28.954 1.00 10.00 O ATOM 618 CB ALA A 43 -2.216 1.413 31.827 1.00 50.00 C ATOM 0 H ALA A 43 -3.431 3.384 31.244 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.671 2.943 32.049 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.527 0.589 32.013 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.739 1.665 32.750 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.941 1.115 31.069 1.00 50.00 H new ATOM 624 N GLU A 44 0.407 1.638 30.105 1.00 10.00 N ATOM 625 CA GLU A 44 1.162 1.295 28.865 1.00 10.00 C ATOM 626 C GLU A 44 0.354 0.320 28.004 1.00 10.00 C ATOM 627 O GLU A 44 0.006 -0.761 28.436 1.00 10.00 O ATOM 628 CB GLU A 44 2.451 0.637 29.355 1.00 10.00 C ATOM 629 CG GLU A 44 3.537 1.702 29.522 1.00 10.00 C ATOM 630 CD GLU A 44 4.895 1.111 29.131 1.00 25.00 C ATOM 631 OE1 GLU A 44 5.000 -0.104 29.092 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.803 1.884 28.879 1.00 25.00 O ATOM 0 H GLU A 44 0.828 1.310 30.974 1.00 10.00 H new ATOM 0 HA GLU A 44 1.361 2.171 28.248 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.275 0.130 30.304 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.777 -0.122 28.644 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.312 2.567 28.899 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.564 2.051 30.554 1.00 10.00 H new ATOM 639 N GLY A 45 0.054 0.692 26.790 1.00 10.00 N ATOM 640 CA GLY A 45 -0.729 -0.216 25.906 1.00 10.00 C ATOM 641 C GLY A 45 -2.224 -0.032 26.176 1.00 10.00 C ATOM 642 O GLY A 45 -3.050 -0.767 25.670 1.00 10.00 O ATOM 0 H GLY A 45 0.317 1.585 26.372 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.509 -0.001 24.860 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.442 -1.252 26.086 1.00 10.00 H new ATOM 646 N GLU A 46 -2.581 0.942 26.968 1.00 10.00 N ATOM 647 CA GLU A 46 -4.024 1.170 27.266 1.00 10.00 C ATOM 648 C GLU A 46 -4.644 2.082 26.203 1.00 10.00 C ATOM 649 O GLU A 46 -4.122 3.135 25.894 1.00 10.00 O ATOM 650 CB GLU A 46 -4.046 1.845 28.637 1.00 10.00 C ATOM 651 CG GLU A 46 -5.497 2.029 29.091 1.00 10.00 C ATOM 652 CD GLU A 46 -5.759 1.172 30.331 1.00 10.00 C ATOM 653 OE1 GLU A 46 -4.916 0.349 30.649 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.800 1.352 30.942 1.00 10.00 O ATOM 0 H GLU A 46 -1.936 1.590 27.421 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.599 0.244 27.263 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.501 1.240 29.361 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -3.544 2.811 28.587 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -5.688 3.078 29.315 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -6.178 1.745 28.289 1.00 10.00 H new ATOM 661 N TYR A 47 -5.752 1.683 25.641 1.00 10.00 N ATOM 662 CA TYR A 47 -6.405 2.524 24.595 1.00 10.00 C ATOM 663 C TYR A 47 -6.711 3.920 25.147 1.00 10.00 C ATOM 664 O TYR A 47 -7.419 4.073 26.123 1.00 10.00 O ATOM 665 CB TYR A 47 -7.695 1.781 24.246 1.00 10.00 C ATOM 666 CG TYR A 47 -7.372 0.336 23.942 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.164 0.008 23.316 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.278 -0.674 24.290 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.861 -1.331 23.037 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.975 -2.012 24.010 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.766 -2.340 23.383 1.00 10.00 C ATOM 672 OH TYR A 47 -6.467 -3.659 23.109 1.00 10.00 O ATOM 0 H TYR A 47 -6.234 0.811 25.860 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.769 2.669 23.721 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.399 1.841 25.076 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.175 2.247 23.386 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.466 0.787 23.048 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.210 -0.421 24.774 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.928 -1.584 22.555 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.673 -2.791 24.277 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.201 -4.231 23.415 1.00 10.00 H new ATOM 682 N ILE A 48 -6.177 4.940 24.530 1.00 10.00 N ATOM 683 CA ILE A 48 -6.425 6.330 25.016 1.00 10.00 C ATOM 684 C ILE A 48 -7.922 6.566 25.240 1.00 10.00 C ATOM 685 O ILE A 48 -8.378 6.680 26.360 1.00 10.00 O ATOM 686 CB ILE A 48 -5.903 7.238 23.900 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.385 7.077 23.778 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.237 8.694 24.227 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.705 7.732 24.981 1.00 10.00 C ATOM 0 H ILE A 48 -5.578 4.871 23.708 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.932 6.523 25.969 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.375 6.961 22.957 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.123 6.020 23.730 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.033 7.535 22.854 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.865 9.340 23.432 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.318 8.809 24.312 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.767 8.972 25.170 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.624 7.618 24.895 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.957 8.792 25.009 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.048 7.254 25.898 1.00 10.00 H new ATOM 701 N LEU A 49 -8.687 6.647 24.184 1.00 10.00 N ATOM 702 CA LEU A 49 -10.154 6.884 24.335 1.00 10.00 C ATOM 703 C LEU A 49 -10.712 6.071 25.506 1.00 10.00 C ATOM 704 O LEU A 49 -11.613 6.502 26.197 1.00 10.00 O ATOM 705 CB LEU A 49 -10.771 6.414 23.018 1.00 10.00 C ATOM 706 CG LEU A 49 -12.212 6.920 22.923 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.245 8.222 22.122 1.00 10.00 C ATOM 708 CD2 LEU A 49 -13.075 5.868 22.225 1.00 10.00 C ATOM 0 H LEU A 49 -8.360 6.559 23.222 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.378 7.930 24.543 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.187 6.787 22.177 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.752 5.326 22.962 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.600 7.102 23.925 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.272 8.582 22.055 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.630 8.971 22.620 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -11.857 8.042 21.119 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -14.102 6.227 22.157 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.687 5.686 21.223 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -13.052 4.941 22.797 1.00 10.00 H new ATOM 720 N GLU A 50 -10.187 4.900 25.734 1.00 10.00 N ATOM 721 CA GLU A 50 -10.692 4.064 26.860 1.00 10.00 C ATOM 722 C GLU A 50 -10.257 4.659 28.201 1.00 10.00 C ATOM 723 O GLU A 50 -11.061 4.868 29.089 1.00 10.00 O ATOM 724 CB GLU A 50 -10.047 2.694 26.649 1.00 10.00 C ATOM 725 CG GLU A 50 -10.719 1.668 27.562 1.00 10.00 C ATOM 726 CD GLU A 50 -10.386 0.257 27.073 1.00 50.00 C ATOM 727 OE1 GLU A 50 -10.903 -0.125 26.035 1.00 50.00 O ATOM 728 OE2 GLU A 50 -9.619 -0.415 27.742 1.00 50.00 O ATOM 0 H GLU A 50 -9.430 4.485 25.190 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.780 4.008 26.878 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.147 2.390 25.607 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.980 2.745 26.865 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.377 1.799 28.589 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.799 1.819 27.564 1.00 10.00 H new ATOM 735 N ALA A 51 -8.991 4.932 28.354 1.00 10.00 N ATOM 736 CA ALA A 51 -8.499 5.509 29.638 1.00 10.00 C ATOM 737 C ALA A 51 -9.245 6.803 29.966 1.00 10.00 C ATOM 738 O ALA A 51 -9.619 7.049 31.095 1.00 10.00 O ATOM 739 CB ALA A 51 -7.015 5.790 29.401 1.00 12.50 C ATOM 0 H ALA A 51 -8.274 4.780 27.644 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.659 4.834 30.479 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.577 6.218 30.303 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.503 4.859 29.156 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.905 6.493 28.575 1.00 12.50 H new ATOM 745 N ALA A 52 -9.463 7.629 28.986 1.00 10.00 N ATOM 746 CA ALA A 52 -10.184 8.911 29.238 1.00 10.00 C ATOM 747 C ALA A 52 -11.693 8.670 29.301 1.00 10.00 C ATOM 748 O ALA A 52 -12.427 9.433 29.897 1.00 10.00 O ATOM 749 CB ALA A 52 -9.830 9.809 28.053 1.00 10.00 C ATOM 0 H ALA A 52 -9.175 7.475 28.020 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.898 9.362 30.188 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.325 10.774 28.167 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.751 9.957 28.018 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.162 9.338 27.128 1.00 10.00 H new ATOM 755 N GLU A 53 -12.164 7.615 28.696 1.00 10.00 N ATOM 756 CA GLU A 53 -13.628 7.334 28.729 1.00 10.00 C ATOM 757 C GLU A 53 -14.079 7.080 30.165 1.00 10.00 C ATOM 758 O GLU A 53 -15.121 7.537 30.593 1.00 10.00 O ATOM 759 CB GLU A 53 -13.816 6.079 27.876 1.00 10.00 C ATOM 760 CG GLU A 53 -14.518 6.456 26.570 1.00 10.00 C ATOM 761 CD GLU A 53 -15.874 7.091 26.887 1.00 10.00 C ATOM 762 OE1 GLU A 53 -16.798 6.351 27.177 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.963 8.306 26.833 1.00 10.00 O ATOM 0 H GLU A 53 -11.601 6.937 28.182 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.217 8.170 28.352 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -12.850 5.621 27.664 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -14.406 5.341 28.419 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -13.902 7.152 26.001 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -14.655 5.571 25.949 1.00 10.00 H new ATOM 770 N ALA A 54 -13.298 6.356 30.913 1.00 10.00 N ATOM 771 CA ALA A 54 -13.672 6.070 32.327 1.00 10.00 C ATOM 772 C ALA A 54 -13.570 7.348 33.165 1.00 10.00 C ATOM 773 O ALA A 54 -13.934 7.373 34.324 1.00 10.00 O ATOM 774 CB ALA A 54 -12.656 5.032 32.804 1.00 50.00 C ATOM 0 H ALA A 54 -12.414 5.948 30.607 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.696 5.708 32.420 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.865 4.768 33.841 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.727 4.140 32.181 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.651 5.446 32.730 1.00 50.00 H new ATOM 780 N GLN A 55 -13.076 8.409 32.586 1.00 10.00 N ATOM 781 CA GLN A 55 -12.950 9.686 33.348 1.00 10.00 C ATOM 782 C GLN A 55 -14.094 10.635 32.983 1.00 10.00 C ATOM 783 O GLN A 55 -14.525 11.441 33.783 1.00 10.00 O ATOM 784 CB GLN A 55 -11.607 10.275 32.918 1.00 10.00 C ATOM 785 CG GLN A 55 -10.491 9.694 33.789 1.00 10.00 C ATOM 786 CD GLN A 55 -9.756 10.831 34.501 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.374 11.695 35.093 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.452 10.868 34.470 1.00 10.00 N ATOM 0 H GLN A 55 -12.754 8.447 31.619 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.999 9.529 34.426 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -11.418 10.049 31.868 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.628 11.361 33.012 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.909 9.002 34.521 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -9.794 9.125 33.174 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.933 10.144 33.974 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.952 11.621 34.942 1.00 10.00 H new ATOM 797 N GLY A 56 -14.587 10.548 31.778 1.00 10.00 N ATOM 798 CA GLY A 56 -15.701 11.447 31.364 1.00 10.00 C ATOM 799 C GLY A 56 -15.287 12.237 30.121 1.00 10.00 C ATOM 800 O GLY A 56 -15.981 13.133 29.684 1.00 10.00 O ATOM 0 H GLY A 56 -14.267 9.894 31.063 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.596 10.861 31.154 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.951 12.131 32.175 1.00 10.00 H new ATOM 804 N TYR A 57 -14.161 11.913 29.545 1.00 10.00 N ATOM 805 CA TYR A 57 -13.708 12.648 28.329 1.00 10.00 C ATOM 806 C TYR A 57 -14.469 12.146 27.098 1.00 10.00 C ATOM 807 O TYR A 57 -14.145 11.122 26.531 1.00 10.00 O ATOM 808 CB TYR A 57 -12.217 12.329 28.202 1.00 10.00 C ATOM 809 CG TYR A 57 -11.474 12.915 29.378 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.501 14.295 29.612 1.00 10.00 C ATOM 811 CD2 TYR A 57 -10.753 12.075 30.232 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.805 14.833 30.702 1.00 12.50 C ATOM 813 CE2 TYR A 57 -10.059 12.611 31.321 1.00 12.50 C ATOM 814 CZ TYR A 57 -10.084 13.990 31.556 1.00 12.50 C ATOM 815 OH TYR A 57 -9.399 14.520 32.631 1.00 12.50 O ATOM 0 H TYR A 57 -13.536 11.172 29.863 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.889 13.720 28.403 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.067 11.250 28.165 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.825 12.738 27.271 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.058 14.944 28.953 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -10.732 11.011 30.050 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.825 15.897 30.883 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.504 11.961 31.981 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.031 15.394 32.385 1.00 12.50 H new ATOM 825 N ASP A 58 -15.479 12.859 26.682 1.00 10.00 N ATOM 826 CA ASP A 58 -16.259 12.422 25.490 1.00 10.00 C ATOM 827 C ASP A 58 -15.561 12.875 24.205 1.00 10.00 C ATOM 828 O ASP A 58 -15.220 14.030 24.046 1.00 10.00 O ATOM 829 CB ASP A 58 -17.620 13.104 25.633 1.00 10.00 C ATOM 830 CG ASP A 58 -18.428 12.402 26.726 1.00 10.00 C ATOM 831 OD1 ASP A 58 -18.036 11.317 27.121 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.427 12.962 27.148 1.00 10.00 O ATOM 0 H ASP A 58 -15.798 13.725 27.116 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.353 11.338 25.433 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.487 14.157 25.883 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -18.159 13.067 24.686 1.00 10.00 H new ATOM 837 N TRP A 59 -15.344 11.973 23.288 1.00 10.00 N ATOM 838 CA TRP A 59 -14.666 12.349 22.015 1.00 10.00 C ATOM 839 C TRP A 59 -15.683 12.423 20.874 1.00 10.00 C ATOM 840 O TRP A 59 -16.785 11.927 20.991 1.00 10.00 O ATOM 841 CB TRP A 59 -13.652 11.231 21.768 1.00 10.00 C ATOM 842 CG TRP A 59 -12.731 11.138 22.942 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.018 10.515 24.107 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.385 11.675 23.086 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.935 10.637 24.959 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.902 11.344 24.375 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.543 12.411 22.233 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.632 11.730 24.803 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.263 12.801 22.659 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.809 12.460 23.942 1.00 50.00 C ATOM 0 H TRP A 59 -15.607 10.991 23.365 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.188 13.327 22.071 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.167 10.282 21.618 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.084 11.432 20.860 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.942 10.005 24.335 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.903 10.252 25.903 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.883 12.678 21.243 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.288 11.467 25.792 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.625 13.366 21.996 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.823 12.762 24.264 1.00 50.00 H new ATOM 861 N PRO A 60 -15.275 13.049 19.803 1.00 10.00 N ATOM 862 CA PRO A 60 -16.162 13.200 18.622 1.00 10.00 C ATOM 863 C PRO A 60 -16.360 11.850 17.927 1.00 10.00 C ATOM 864 O PRO A 60 -15.613 11.480 17.042 1.00 10.00 O ATOM 865 CB PRO A 60 -15.401 14.174 17.727 1.00 10.00 C ATOM 866 CG PRO A 60 -13.968 14.024 18.127 1.00 10.00 C ATOM 867 CD PRO A 60 -13.962 13.667 19.590 1.00 10.00 C ATOM 0 HA PRO A 60 -17.161 13.556 18.875 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.544 13.936 16.673 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.747 15.197 17.873 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.481 13.248 17.537 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.419 14.949 17.952 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.152 12.979 19.831 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.828 14.549 20.217 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.225 11.569 15.341 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.348 13.055 15.353 1.00 10.00 C ATOM 1013 C ALA A 72 -9.478 13.653 16.462 1.00 10.00 C ATOM 1014 O ALA A 72 -9.921 13.849 17.577 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.828 13.327 15.626 1.00 10.00 C ATOM 0 HA ALA A 72 -10.016 13.503 14.416 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.002 14.403 15.650 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.432 12.880 14.836 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.107 12.893 16.586 1.00 10.00 H new ATOM 1021 N SER A 73 -8.244 13.947 16.162 1.00 10.00 N ATOM 1022 CA SER A 73 -7.340 14.534 17.191 1.00 10.00 C ATOM 1023 C SER A 73 -6.125 15.164 16.507 1.00 10.00 C ATOM 1024 O SER A 73 -5.943 15.030 15.317 1.00 10.00 O ATOM 1025 CB SER A 73 -6.915 13.355 18.066 1.00 50.00 C ATOM 1026 OG SER A 73 -6.098 12.475 17.307 1.00 50.00 O ATOM 0 H SER A 73 -7.821 13.806 15.245 1.00 10.00 H new ATOM 0 HA SER A 73 -7.823 15.316 17.777 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.369 13.714 18.939 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.794 12.826 18.435 1.00 50.00 H new ATOM 0 HG SER A 73 -6.033 11.611 17.766 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.294 15.849 17.245 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.096 16.481 16.623 1.00 10.00 C ATOM 1034 C ILE A 74 -2.886 16.346 17.549 1.00 10.00 C ATOM 1035 O ILE A 74 -2.574 17.237 18.314 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.472 17.951 16.440 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.760 18.050 15.618 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.343 18.682 15.712 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.507 17.513 14.207 1.00 10.00 C ATOM 0 H ILE A 74 -5.393 15.998 18.249 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.825 16.010 15.678 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.628 18.409 17.417 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.555 17.480 16.098 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.095 19.086 15.570 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.612 19.730 15.582 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.427 18.613 16.299 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.184 18.225 14.735 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.424 17.583 13.621 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.725 18.102 13.728 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.193 16.471 14.265 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.204 15.236 17.488 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.014 15.043 18.369 1.00 10.00 C ATOM 1053 C VAL A 75 -0.046 16.221 18.219 1.00 10.00 C ATOM 1054 O VAL A 75 0.493 16.461 17.157 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.364 13.750 17.878 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.043 13.908 16.412 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.875 13.449 18.723 1.00 50.00 C ATOM 0 H VAL A 75 -2.417 14.455 16.868 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.286 14.989 19.423 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.074 12.928 17.970 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.507 12.986 16.062 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.840 14.121 15.810 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.753 14.730 16.318 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.339 12.527 18.373 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.586 14.270 18.632 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.584 13.335 19.767 1.00 50.00 H new ATOM 1067 N LYS A 76 0.180 16.957 19.273 1.00 10.00 N ATOM 1068 CA LYS A 76 1.114 18.118 19.184 1.00 10.00 C ATOM 1069 C LYS A 76 2.522 17.705 19.619 1.00 10.00 C ATOM 1070 O LYS A 76 3.467 18.456 19.481 1.00 10.00 O ATOM 1071 CB LYS A 76 0.538 19.157 20.144 1.00 25.00 C ATOM 1072 CG LYS A 76 -0.851 19.577 19.663 1.00 25.00 C ATOM 1073 CD LYS A 76 -0.843 21.067 19.322 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.655 21.301 18.048 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.979 20.673 18.320 1.00 50.00 N ATOM 0 H LYS A 76 -0.240 16.806 20.190 1.00 10.00 H new ATOM 0 HA LYS A 76 1.201 18.502 18.168 1.00 10.00 H new ATOM 0 HB2 LYS A 76 0.477 18.744 21.151 1.00 25.00 H new ATOM 0 HB3 LYS A 76 1.195 20.025 20.195 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -1.136 18.994 18.787 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -1.592 19.374 20.436 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.265 21.642 20.146 1.00 50.00 H new ATOM 0 HD3 LYS A 76 0.181 21.414 19.183 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -1.758 22.365 17.834 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.172 20.847 17.182 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -3.706 21.125 17.729 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -2.934 19.658 18.098 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.223 20.797 19.323 1.00 50.00 H new ATOM 1089 N GLU A 77 2.673 16.520 20.143 1.00 10.00 N ATOM 1090 CA GLU A 77 4.024 16.069 20.585 1.00 10.00 C ATOM 1091 C GLU A 77 3.966 14.619 21.078 1.00 10.00 C ATOM 1092 O GLU A 77 2.919 14.117 21.436 1.00 10.00 O ATOM 1093 CB GLU A 77 4.398 17.012 21.729 1.00 10.00 C ATOM 1094 CG GLU A 77 5.901 17.298 21.685 1.00 10.00 C ATOM 1095 CD GLU A 77 6.130 18.775 21.354 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.033 19.122 20.188 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.399 19.532 22.271 1.00 25.00 O ATOM 0 H GLU A 77 1.921 15.845 20.284 1.00 10.00 H new ATOM 0 HA GLU A 77 4.755 16.097 19.777 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.837 17.943 21.645 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.130 16.564 22.686 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.357 17.055 22.645 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.380 16.668 20.936 1.00 10.00 H new ATOM 1104 N GLY A 78 5.084 13.945 21.100 1.00 10.00 N ATOM 1105 CA GLY A 78 5.092 12.531 21.570 1.00 10.00 C ATOM 1106 C GLY A 78 4.825 11.597 20.387 1.00 10.00 C ATOM 1107 O GLY A 78 5.227 11.864 19.271 1.00 10.00 O ATOM 0 H GLY A 78 5.991 14.312 20.813 1.00 10.00 H new ATOM 0 HA2 GLY A 78 6.054 12.293 22.025 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.332 12.388 22.338 1.00 10.00 H new ATOM 1111 N GLU A 79 4.153 10.504 20.623 1.00 10.00 N ATOM 1112 CA GLU A 79 3.861 9.552 19.512 1.00 10.00 C ATOM 1113 C GLU A 79 2.814 8.526 19.956 1.00 10.00 C ATOM 1114 O GLU A 79 2.631 8.281 21.132 1.00 10.00 O ATOM 1115 CB GLU A 79 5.196 8.867 19.219 1.00 25.00 C ATOM 1116 CG GLU A 79 5.098 8.110 17.893 1.00 25.00 C ATOM 1117 CD GLU A 79 6.503 7.756 17.401 1.00 50.00 C ATOM 1118 OE1 GLU A 79 7.013 6.728 17.815 1.00 50.00 O ATOM 1119 OE2 GLU A 79 7.044 8.520 16.619 1.00 50.00 O ATOM 0 H GLU A 79 3.793 10.228 21.537 1.00 10.00 H new ATOM 0 HA GLU A 79 3.459 10.053 18.632 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.994 9.608 19.170 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.449 8.179 20.026 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.508 7.203 18.023 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.585 8.721 17.151 1.00 25.00 H new ATOM 1126 N ILE A 80 2.125 7.926 19.023 1.00 10.00 N ATOM 1127 CA ILE A 80 1.088 6.919 19.395 1.00 10.00 C ATOM 1128 C ILE A 80 1.342 5.599 18.664 1.00 10.00 C ATOM 1129 O ILE A 80 1.875 5.575 17.571 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.237 7.533 18.942 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.539 8.775 19.782 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.362 6.511 19.121 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.685 9.558 19.139 1.00 50.00 C ATOM 0 H ILE A 80 2.234 8.088 18.022 1.00 10.00 H new ATOM 0 HA ILE A 80 1.094 6.696 20.462 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.165 7.814 17.891 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.808 8.484 20.797 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.349 9.403 19.855 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.306 6.949 18.798 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.149 5.626 18.521 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.433 6.229 20.171 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.901 10.443 19.737 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.398 9.861 18.132 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.573 8.928 19.089 1.00 50.00 H new ATOM 1145 N ASP A 81 0.964 4.500 19.258 1.00 10.00 N ATOM 1146 CA ASP A 81 1.184 3.182 18.595 1.00 10.00 C ATOM 1147 C ASP A 81 -0.158 2.548 18.216 1.00 10.00 C ATOM 1148 O ASP A 81 -1.101 2.561 18.983 1.00 10.00 O ATOM 1149 CB ASP A 81 1.902 2.328 19.639 1.00 10.00 C ATOM 1150 CG ASP A 81 3.346 2.087 19.195 1.00 10.00 C ATOM 1151 OD1 ASP A 81 4.026 3.058 18.906 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.747 0.936 19.151 1.00 10.00 O ATOM 0 H ASP A 81 0.513 4.457 20.172 1.00 10.00 H new ATOM 0 HA ASP A 81 1.762 3.275 17.676 1.00 10.00 H new ATOM 0 HB2 ASP A 81 1.887 2.829 20.607 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.385 1.377 19.764 1.00 10.00 H new ATOM 1157 N MET A 82 -0.249 1.991 17.040 1.00 12.50 N ATOM 1158 CA MET A 82 -1.529 1.355 16.614 1.00 12.50 C ATOM 1159 C MET A 82 -1.247 0.027 15.903 1.00 12.50 C ATOM 1160 O MET A 82 -0.171 -0.193 15.384 1.00 12.50 O ATOM 1161 CB MET A 82 -2.169 2.355 15.650 1.00 12.50 C ATOM 1162 CG MET A 82 -2.507 3.645 16.402 1.00 12.50 C ATOM 1163 SD MET A 82 -1.829 5.063 15.505 1.00 12.50 S ATOM 1164 CE MET A 82 -2.793 4.856 13.988 1.00 50.00 C ATOM 0 H MET A 82 0.506 1.948 16.356 1.00 12.50 H new ATOM 0 HA MET A 82 -2.181 1.132 17.459 1.00 12.50 H new ATOM 0 HB2 MET A 82 -1.488 2.569 14.827 1.00 12.50 H new ATOM 0 HB3 MET A 82 -3.072 1.929 15.214 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.588 3.748 16.502 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.095 3.609 17.411 1.00 12.50 H new ATOM 0 HE1 MET A 82 -3.051 5.835 13.584 1.00 50.00 H new ATOM 0 HE2 MET A 82 -2.204 4.305 13.255 1.00 50.00 H new ATOM 0 HE3 MET A 82 -3.706 4.303 14.210 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.205 -0.859 15.877 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.989 -2.171 15.201 1.00 50.00 C ATOM 1176 C ASP A 83 -2.476 -2.104 13.750 1.00 50.00 C ATOM 1177 O ASP A 83 -3.165 -1.183 13.359 1.00 50.00 O ATOM 1178 CB ASP A 83 -2.822 -3.173 16.002 1.00 50.00 C ATOM 1179 CG ASP A 83 -2.074 -3.548 17.284 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -1.279 -4.472 17.232 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -2.309 -2.905 18.293 1.00 50.00 O ATOM 0 H ASP A 83 -3.127 -0.732 16.294 1.00 50.00 H new ATOM 0 HA ASP A 83 -0.936 -2.451 15.170 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.792 -2.742 16.247 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.011 -4.065 15.405 1.00 50.00 H new ATOM 1275 N SER A 89 -0.437 8.692 6.242 1.00 12.50 N ATOM 1276 CA SER A 89 0.666 9.429 5.562 1.00 12.50 C ATOM 1277 C SER A 89 1.330 10.409 6.532 1.00 12.50 C ATOM 1278 O SER A 89 0.673 11.206 7.173 1.00 12.50 O ATOM 1279 CB SER A 89 -0.009 10.182 4.416 1.00 12.50 C ATOM 1280 OG SER A 89 0.572 9.785 3.183 1.00 12.50 O ATOM 0 HA SER A 89 1.449 8.760 5.206 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.079 9.974 4.410 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.106 11.257 4.555 1.00 12.50 H new ATOM 0 HG SER A 89 0.139 10.266 2.447 1.00 12.50 H new ATOM 1286 N ASP A 90 2.630 10.357 6.645 1.00 10.00 N ATOM 1287 CA ASP A 90 3.335 11.287 7.574 1.00 10.00 C ATOM 1288 C ASP A 90 2.796 12.707 7.402 1.00 10.00 C ATOM 1289 O ASP A 90 2.561 13.415 8.361 1.00 10.00 O ATOM 1290 CB ASP A 90 4.806 11.218 7.167 1.00 10.00 C ATOM 1291 CG ASP A 90 5.666 11.858 8.260 1.00 10.00 C ATOM 1292 OD1 ASP A 90 5.554 13.058 8.447 1.00 10.00 O ATOM 1293 OD2 ASP A 90 6.422 11.137 8.891 1.00 10.00 O ATOM 0 H ASP A 90 3.234 9.712 6.135 1.00 10.00 H new ATOM 0 HA ASP A 90 3.191 11.015 8.620 1.00 10.00 H new ATOM 0 HB2 ASP A 90 5.104 10.181 7.015 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.957 11.736 6.220 1.00 10.00 H new ATOM 1298 N GLU A 91 2.594 13.125 6.185 1.00 12.50 N ATOM 1299 CA GLU A 91 2.066 14.497 5.948 1.00 12.50 C ATOM 1300 C GLU A 91 0.771 14.693 6.736 1.00 12.50 C ATOM 1301 O GLU A 91 0.383 15.800 7.052 1.00 12.50 O ATOM 1302 CB GLU A 91 1.798 14.566 4.444 1.00 12.50 C ATOM 1303 CG GLU A 91 1.434 16.000 4.056 1.00 12.50 C ATOM 1304 CD GLU A 91 1.046 16.047 2.577 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.564 15.043 2.080 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.239 17.085 1.967 1.00 50.00 O ATOM 0 H GLU A 91 2.772 12.576 5.344 1.00 12.50 H new ATOM 0 HA GLU A 91 2.760 15.274 6.269 1.00 12.50 H new ATOM 0 HB2 GLU A 91 2.680 14.241 3.891 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.987 13.889 4.177 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.607 16.355 4.671 1.00 12.50 H new ATOM 0 HG3 GLU A 91 2.278 16.664 4.242 1.00 12.50 H new ATOM 1313 N GLU A 92 0.104 13.621 7.063 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.163 13.739 7.838 1.00 10.00 C ATOM 1315 C GLU A 92 -0.844 13.963 9.319 1.00 10.00 C ATOM 1316 O GLU A 92 -1.496 14.735 9.995 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.879 12.401 7.637 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.362 12.560 7.978 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.131 11.326 7.500 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.922 10.923 6.367 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -4.916 10.803 8.275 1.00 50.00 O ATOM 0 H GLU A 92 0.381 12.668 6.827 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.777 14.578 7.510 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.766 12.067 6.606 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.429 11.637 8.271 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.487 12.686 9.053 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.761 13.457 7.504 1.00 50.00 H new ATOM 1328 N VAL A 93 0.155 13.294 9.826 1.00 10.00 N ATOM 1329 CA VAL A 93 0.522 13.467 11.261 1.00 10.00 C ATOM 1330 C VAL A 93 1.350 14.745 11.451 1.00 10.00 C ATOM 1331 O VAL A 93 1.622 15.161 12.559 1.00 10.00 O ATOM 1332 CB VAL A 93 1.343 12.222 11.612 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.788 12.393 11.128 1.00 10.00 C ATOM 1334 CG2 VAL A 93 1.335 12.019 13.128 1.00 10.00 C ATOM 0 H VAL A 93 0.734 12.634 9.308 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.353 13.568 11.904 1.00 10.00 H new ATOM 0 HB VAL A 93 0.903 11.354 11.122 1.00 10.00 H new ATOM 0 HG11 VAL A 93 3.364 11.503 11.382 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.795 12.534 10.047 1.00 10.00 H new ATOM 0 HG13 VAL A 93 3.233 13.263 11.611 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.919 11.134 13.380 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.771 12.892 13.614 1.00 10.00 H new ATOM 0 HG23 VAL A 93 0.309 11.887 13.472 1.00 10.00 H new ATOM 1344 N GLU A 94 1.755 15.368 10.378 1.00 12.50 N ATOM 1345 CA GLU A 94 2.564 16.614 10.503 1.00 12.50 C ATOM 1346 C GLU A 94 1.681 17.840 10.253 1.00 12.50 C ATOM 1347 O GLU A 94 1.644 18.762 11.043 1.00 12.50 O ATOM 1348 CB GLU A 94 3.644 16.500 9.427 1.00 12.50 C ATOM 1349 CG GLU A 94 5.025 16.481 10.087 1.00 12.50 C ATOM 1350 CD GLU A 94 5.027 15.478 11.242 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.250 14.307 10.982 1.00 12.50 O ATOM 1352 OE2 GLU A 94 4.807 15.898 12.366 1.00 12.50 O ATOM 0 H GLU A 94 1.561 15.069 9.422 1.00 12.50 H new ATOM 0 HA GLU A 94 2.996 16.729 11.497 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.496 15.591 8.843 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.572 17.339 8.735 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.786 16.210 9.355 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.277 17.476 10.455 1.00 12.50 H new ATOM 1359 N GLU A 95 0.966 17.853 9.162 1.00 12.50 N ATOM 1360 CA GLU A 95 0.082 19.016 8.865 1.00 12.50 C ATOM 1361 C GLU A 95 -1.248 18.866 9.608 1.00 12.50 C ATOM 1362 O GLU A 95 -1.894 19.838 9.948 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.140 18.968 7.353 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.792 20.273 6.892 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.835 19.968 5.816 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.685 19.129 6.066 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.767 20.577 4.761 1.00 50.00 O ATOM 0 H GLU A 95 0.955 17.110 8.464 1.00 12.50 H new ATOM 0 HA GLU A 95 0.520 19.963 9.182 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.810 18.823 6.840 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.775 18.121 7.095 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.262 20.776 7.737 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.035 20.951 6.498 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.660 17.655 9.861 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.945 17.440 10.584 1.00 25.00 C ATOM 1376 C LYS A 96 -2.687 16.758 11.929 1.00 25.00 C ATOM 1377 O LYS A 96 -3.547 16.703 12.782 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.768 16.531 9.670 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.179 17.102 9.522 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.911 16.365 8.399 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.291 17.360 7.301 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.510 16.523 6.088 1.00 25.00 N ATOM 0 H LYS A 96 -1.162 16.804 9.598 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.460 18.377 10.797 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.292 16.452 8.693 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.813 15.524 10.085 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.726 16.996 10.459 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.130 18.168 9.301 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.275 15.580 7.989 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.805 15.879 8.790 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -7.190 17.916 7.565 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -5.500 18.092 7.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -6.775 17.133 5.288 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -5.635 16.010 5.857 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -7.273 15.841 6.270 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.505 16.240 12.125 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.188 15.562 13.420 1.00 10.00 C ATOM 1398 C ASP A 97 -2.368 14.704 13.875 1.00 10.00 C ATOM 1399 O ASP A 97 -2.587 14.512 15.055 1.00 10.00 O ATOM 1400 CB ASP A 97 -0.942 16.692 14.426 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.195 17.845 13.750 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.918 17.623 13.302 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.749 18.930 13.691 1.00 50.00 O ATOM 0 H ASP A 97 -0.744 16.256 11.446 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.325 14.903 13.328 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.892 17.048 14.824 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.362 16.318 15.270 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.130 14.186 12.955 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.296 13.347 13.349 1.00 10.00 C ATOM 1410 C VAL A 98 -3.865 11.886 13.513 1.00 10.00 C ATOM 1411 O VAL A 98 -2.828 11.478 13.030 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.295 13.490 12.202 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -4.799 12.700 10.989 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.656 12.949 12.641 1.00 50.00 C ATOM 0 H VAL A 98 -2.998 14.306 11.951 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.726 13.658 14.301 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.391 14.542 11.934 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -5.512 12.803 10.171 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -3.829 13.086 10.675 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -4.701 11.648 11.255 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -7.369 13.051 11.823 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.560 11.897 12.910 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -7.011 13.513 13.504 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.654 11.096 14.191 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.283 9.663 14.384 1.00 10.00 C ATOM 1426 C ARG A 99 -5.447 8.888 15.008 1.00 10.00 C ATOM 1427 O ARG A 99 -6.413 9.462 15.470 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.088 9.689 15.337 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.089 8.602 14.934 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.117 9.162 13.896 1.00 50.00 C ATOM 1431 NE ARG A 99 0.161 8.433 14.135 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.140 9.024 14.764 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.889 9.999 15.594 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.371 8.640 14.562 1.00 50.00 N ATOM 0 H ARG A 99 -5.536 11.379 14.618 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.046 9.171 13.441 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.608 10.667 15.309 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.423 9.528 16.362 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.541 8.254 15.810 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.618 7.741 14.525 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.483 8.997 12.883 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.987 10.237 14.016 1.00 50.00 H new ATOM 0 HE ARG A 99 0.270 7.473 13.807 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.073 10.300 15.752 1.00 50.00 H new ATOM 0 HH12 ARG A 99 1.655 10.460 16.085 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.568 7.878 13.913 1.00 50.00 H new ATOM 0 HH22 ARG A 99 3.136 9.102 15.053 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.358 7.586 15.027 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.455 6.770 15.622 1.00 10.00 C ATOM 1450 C LEU A 100 -6.302 6.715 17.146 1.00 10.00 C ATOM 1451 O LEU A 100 -5.282 6.304 17.661 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.285 5.377 15.013 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.660 4.754 14.761 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -7.651 4.028 13.413 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.980 3.756 15.874 1.00 10.00 C ATOM 0 H LEU A 100 -4.572 7.051 14.656 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.441 7.186 15.417 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.728 5.443 14.078 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.706 4.744 15.685 1.00 10.00 H new ATOM 0 HG LEU A 100 -8.417 5.538 14.748 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -8.630 3.584 13.232 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -7.423 4.739 12.619 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -6.894 3.244 13.427 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.959 3.312 15.694 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.223 2.972 15.888 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.986 4.272 16.834 1.00 10.00 H new ATOM 1467 N THR A 101 -7.306 7.130 17.870 1.00 10.00 N ATOM 1468 CA THR A 101 -7.213 7.103 19.359 1.00 10.00 C ATOM 1469 C THR A 101 -8.274 6.166 19.941 1.00 10.00 C ATOM 1470 O THR A 101 -8.493 6.127 21.136 1.00 10.00 O ATOM 1471 CB THR A 101 -7.468 8.546 19.798 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.678 9.009 19.215 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.309 9.433 19.345 1.00 10.00 C ATOM 0 H THR A 101 -8.186 7.486 17.496 1.00 10.00 H new ATOM 0 HA THR A 101 -6.246 6.737 19.705 1.00 10.00 H new ATOM 0 HB THR A 101 -7.548 8.586 20.884 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.844 9.933 19.496 1.00 10.00 H new ATOM 0 HG21 THR A 101 -6.493 10.460 19.659 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.382 9.077 19.794 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.225 9.395 18.259 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.933 5.410 19.107 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.979 4.475 19.614 1.00 10.00 C ATOM 1483 C CYS A 102 -9.325 3.306 20.359 1.00 10.00 C ATOM 1484 O CYS A 102 -9.394 3.211 21.568 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.701 3.972 18.363 1.00 10.00 C ATOM 1486 SG CYS A 102 -12.181 4.972 18.073 1.00 10.00 S ATOM 0 H CYS A 102 -8.793 5.399 18.097 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.661 4.959 20.313 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.037 4.028 17.500 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.976 2.924 18.486 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.792 4.544 17.008 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.693 2.417 19.642 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.035 1.253 20.303 1.00 10.00 C ATOM 1493 C ILE A 103 -6.511 1.379 20.206 1.00 10.00 C ATOM 1494 O ILE A 103 -5.787 0.418 20.380 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.523 0.032 19.521 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -8.115 -1.246 20.254 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.897 0.041 18.123 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.531 -2.465 19.427 1.00 50.00 C ATOM 0 H ILE A 103 -8.604 2.446 18.626 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.279 1.186 21.363 1.00 10.00 H new ATOM 0 HB ILE A 103 -9.609 0.067 19.436 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -7.037 -1.255 20.418 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -8.587 -1.281 21.236 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.243 -0.828 17.564 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -8.191 0.950 17.599 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -6.811 0.007 18.210 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -8.240 -3.376 19.950 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.612 -2.457 19.286 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -8.038 -2.431 18.455 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.019 2.554 19.927 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.544 2.736 19.816 1.00 10.00 C ATOM 1512 C GLY A 104 -3.965 3.104 21.185 1.00 10.00 C ATOM 1513 O GLY A 104 -4.671 3.547 22.070 1.00 10.00 O ATOM 0 H GLY A 104 -6.574 3.396 19.771 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.081 1.820 19.449 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.318 3.519 19.092 1.00 10.00 H new ATOM 1517 N SER A 105 -2.685 2.927 21.364 1.00 10.00 N ATOM 1518 CA SER A 105 -2.059 3.267 22.675 1.00 10.00 C ATOM 1519 C SER A 105 -0.872 4.212 22.463 1.00 10.00 C ATOM 1520 O SER A 105 -0.267 4.222 21.410 1.00 10.00 O ATOM 1521 CB SER A 105 -1.585 1.930 23.247 1.00 10.00 C ATOM 1522 OG SER A 105 -0.757 1.276 22.297 1.00 10.00 O ATOM 0 H SER A 105 -2.044 2.562 20.659 1.00 10.00 H new ATOM 0 HA SER A 105 -2.753 3.773 23.346 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.035 2.093 24.174 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.442 1.302 23.492 1.00 10.00 H new ATOM 0 HG SER A 105 -0.452 0.420 22.664 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.582 4.978 23.480 1.00 10.00 N ATOM 1529 CA PRO A 106 0.543 5.944 23.412 1.00 10.00 C ATOM 1530 C PRO A 106 1.887 5.209 23.489 1.00 10.00 C ATOM 1531 O PRO A 106 1.982 4.125 24.027 1.00 10.00 O ATOM 1532 CB PRO A 106 0.337 6.821 24.642 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.440 5.972 25.599 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.269 5.018 24.776 1.00 10.00 C ATOM 0 HA PRO A 106 0.560 6.515 22.483 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.291 7.128 25.072 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.207 7.731 24.391 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.231 5.426 26.261 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.078 6.590 26.231 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.314 4.030 25.235 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.296 5.368 24.673 1.00 10.00 H new ATOM 1542 N ALA A 107 2.925 5.796 22.956 1.00 10.00 N ATOM 1543 CA ALA A 107 4.260 5.133 23.001 1.00 10.00 C ATOM 1544 C ALA A 107 5.275 6.031 23.712 1.00 10.00 C ATOM 1545 O ALA A 107 6.118 5.567 24.455 1.00 10.00 O ATOM 1546 CB ALA A 107 4.654 4.931 21.537 1.00 50.00 C ATOM 0 H ALA A 107 2.906 6.704 22.492 1.00 10.00 H new ATOM 0 HA ALA A 107 4.233 4.191 23.549 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.629 4.446 21.486 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.911 4.304 21.043 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.703 5.898 21.037 1.00 50.00 H new ATOM 1552 N ALA A 108 5.200 7.312 23.490 1.00 10.00 N ATOM 1553 CA ALA A 108 6.159 8.245 24.151 1.00 10.00 C ATOM 1554 C ALA A 108 5.657 8.617 25.549 1.00 10.00 C ATOM 1555 O ALA A 108 4.472 8.772 25.773 1.00 10.00 O ATOM 1556 CB ALA A 108 6.195 9.480 23.250 1.00 50.00 C ATOM 0 H ALA A 108 4.515 7.756 22.878 1.00 10.00 H new ATOM 0 HA ALA A 108 7.147 7.801 24.275 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.881 10.216 23.669 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.534 9.194 22.254 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.196 9.911 23.183 1.00 50.00 H new ATOM 1562 N ASP A 109 6.548 8.762 26.491 1.00 50.00 N ATOM 1563 CA ASP A 109 6.119 9.127 27.872 1.00 50.00 C ATOM 1564 C ASP A 109 5.076 10.245 27.818 1.00 50.00 C ATOM 1565 O ASP A 109 3.886 10.000 27.848 1.00 50.00 O ATOM 1566 CB ASP A 109 7.391 9.613 28.569 1.00 50.00 C ATOM 1567 CG ASP A 109 7.844 8.568 29.590 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.592 7.395 29.362 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.436 8.957 30.584 1.00 50.00 O ATOM 0 H ASP A 109 7.553 8.644 26.365 1.00 50.00 H new ATOM 0 HA ASP A 109 5.663 8.289 28.399 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.178 9.785 27.835 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.205 10.565 29.065 1.00 50.00 H new ATOM 1574 N GLU A 110 5.513 11.472 27.736 1.00 10.00 N ATOM 1575 CA GLU A 110 4.547 12.606 27.675 1.00 10.00 C ATOM 1576 C GLU A 110 4.115 12.850 26.226 1.00 10.00 C ATOM 1577 O GLU A 110 4.902 13.254 25.394 1.00 10.00 O ATOM 1578 CB GLU A 110 5.317 13.811 28.214 1.00 10.00 C ATOM 1579 CG GLU A 110 4.431 15.056 28.146 1.00 10.00 C ATOM 1580 CD GLU A 110 5.229 16.273 28.615 1.00 50.00 C ATOM 1581 OE1 GLU A 110 5.768 16.219 29.708 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.289 17.241 27.873 1.00 50.00 O ATOM 0 H GLU A 110 6.497 11.738 27.709 1.00 10.00 H new ATOM 0 HA GLU A 110 3.642 12.411 28.250 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.626 13.628 29.243 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.225 13.966 27.631 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.078 15.210 27.126 1.00 10.00 H new ATOM 0 HG3 GLU A 110 3.549 14.923 28.772 1.00 10.00 H new ATOM 1589 N VAL A 111 2.871 12.606 25.918 1.00 10.00 N ATOM 1590 CA VAL A 111 2.395 12.824 24.523 1.00 10.00 C ATOM 1591 C VAL A 111 1.375 13.965 24.480 1.00 10.00 C ATOM 1592 O VAL A 111 0.424 13.988 25.235 1.00 10.00 O ATOM 1593 CB VAL A 111 1.740 11.504 24.118 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.469 11.511 22.613 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.675 10.343 24.465 1.00 12.50 C ATOM 0 H VAL A 111 2.165 12.266 26.571 1.00 10.00 H new ATOM 0 HA VAL A 111 3.206 13.101 23.850 1.00 10.00 H new ATOM 0 HB VAL A 111 0.799 11.384 24.655 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.002 10.570 22.323 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.803 12.338 22.367 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.409 11.630 22.075 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.208 9.401 24.176 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.616 10.461 23.928 1.00 12.50 H new ATOM 0 HG23 VAL A 111 2.867 10.339 25.538 1.00 12.50 H new ATOM 1605 N LYS A 112 1.565 14.912 23.601 1.00 10.00 N ATOM 1606 CA LYS A 112 0.603 16.047 23.513 1.00 10.00 C ATOM 1607 C LYS A 112 -0.294 15.882 22.283 1.00 10.00 C ATOM 1608 O LYS A 112 0.160 15.529 21.214 1.00 10.00 O ATOM 1609 CB LYS A 112 1.473 17.298 23.385 1.00 25.00 C ATOM 1610 CG LYS A 112 2.470 17.343 24.545 1.00 25.00 C ATOM 1611 CD LYS A 112 3.114 18.730 24.612 1.00 25.00 C ATOM 1612 CE LYS A 112 2.906 19.323 26.007 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.135 20.123 26.269 1.00 25.00 N ATOM 0 H LYS A 112 2.343 14.948 22.942 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.055 16.101 24.380 1.00 10.00 H new ATOM 0 HB2 LYS A 112 2.005 17.289 22.434 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.848 18.191 23.393 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.962 17.121 25.484 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.237 16.581 24.409 1.00 25.00 H new ATOM 0 HD2 LYS A 112 4.179 18.659 24.391 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.674 19.383 23.858 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.013 19.947 26.042 1.00 25.00 H new ATOM 0 HE3 LYS A 112 2.777 18.540 26.754 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.069 20.563 27.209 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.968 19.501 26.235 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.227 20.864 25.546 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.566 16.131 22.432 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.504 15.992 21.280 1.00 10.00 C ATOM 1629 C ILE A 113 -3.787 16.783 21.549 1.00 10.00 C ATOM 1630 O ILE A 113 -4.208 16.932 22.679 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.803 14.495 21.189 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -3.892 14.255 20.141 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.284 13.987 22.548 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.749 12.841 19.572 1.00 10.00 C ATOM 0 H ILE A 113 -1.999 16.427 23.307 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.081 16.377 20.352 1.00 10.00 H new ATOM 0 HB ILE A 113 -1.897 13.961 20.901 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.877 14.380 20.590 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -3.810 14.991 19.341 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.497 12.920 22.483 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.509 14.157 23.295 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.190 14.521 22.836 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.524 12.669 18.825 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.768 12.733 19.108 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.852 12.113 20.377 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.418 17.285 20.523 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.678 18.058 20.733 1.00 10.00 C ATOM 1648 C VAL A 114 -6.877 17.101 20.748 1.00 10.00 C ATOM 1649 O VAL A 114 -7.043 16.288 19.860 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.746 19.050 19.554 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.694 18.542 18.460 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -6.247 20.404 20.063 1.00 50.00 C ATOM 0 H VAL A 114 -4.119 17.195 19.552 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.697 18.588 21.685 1.00 10.00 H new ATOM 0 HB VAL A 114 -4.747 19.150 19.129 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.723 19.261 17.641 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -6.338 17.581 18.087 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.696 18.422 18.873 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -6.297 21.109 19.233 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -7.239 20.285 20.498 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -5.562 20.784 20.821 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.710 17.192 21.746 1.00 10.00 N ATOM 1663 CA TYR A 115 -8.893 16.287 21.812 1.00 10.00 C ATOM 1664 C TYR A 115 -10.105 16.977 21.166 1.00 10.00 C ATOM 1665 O TYR A 115 -10.236 18.184 21.206 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.092 16.015 23.319 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.445 16.498 23.797 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -11.554 15.645 23.751 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -10.584 17.801 24.285 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -12.803 16.096 24.194 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -11.832 18.253 24.728 1.00 50.00 C ATOM 1672 CZ TYR A 115 -12.942 17.402 24.683 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.172 17.847 25.120 1.00 50.00 O ATOM 0 H TYR A 115 -7.624 17.853 22.518 1.00 10.00 H new ATOM 0 HA TYR A 115 -8.761 15.352 21.268 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -8.997 14.947 23.512 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.306 16.513 23.886 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -11.446 14.639 23.374 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -9.728 18.459 24.320 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -13.659 15.438 24.159 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -11.939 19.259 25.105 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.094 18.774 25.428 1.00 50.00 H new ATOM 1683 N ASN A 116 -10.983 16.218 20.563 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.181 16.824 19.903 1.00 10.00 C ATOM 1685 C ASN A 116 -11.763 17.547 18.622 1.00 10.00 C ATOM 1686 O ASN A 116 -12.041 18.715 18.437 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.756 17.815 20.917 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.233 17.494 21.161 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.702 16.432 20.803 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.991 18.373 21.759 1.00 10.00 N ATOM 0 H ASN A 116 -10.923 15.202 20.498 1.00 10.00 H new ATOM 0 HA ASN A 116 -12.917 16.070 19.623 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.201 17.758 21.853 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.651 18.834 20.546 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.976 18.168 21.925 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.598 19.265 22.060 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.095 16.860 17.734 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.655 17.506 16.464 1.00 10.00 C ATOM 1699 C ALA A 117 -11.863 17.828 15.580 1.00 10.00 C ATOM 1700 O ALA A 117 -11.765 18.574 14.627 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.759 16.473 15.783 1.00 50.00 C ATOM 0 H ALA A 117 -10.835 15.879 17.834 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.134 18.447 16.643 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.394 16.875 14.838 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -8.913 16.242 16.430 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.330 15.564 15.594 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.003 17.272 15.888 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.213 17.547 15.060 1.00 12.50 C ATOM 1709 C LYS A 118 -14.450 19.056 14.949 1.00 12.50 C ATOM 1710 O LYS A 118 -15.173 19.518 14.088 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.364 16.879 15.814 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.648 17.655 17.102 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.975 17.182 17.699 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.074 18.187 17.356 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.243 17.770 18.179 1.00 50.00 N ATOM 0 H LYS A 118 -13.149 16.640 16.675 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.113 17.167 14.043 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.256 16.853 15.188 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.108 15.846 16.048 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -14.840 17.502 17.817 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.691 18.724 16.893 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.232 16.198 17.307 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.884 17.081 18.781 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.767 19.205 17.593 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.311 18.165 16.292 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -20.041 18.413 18.000 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.517 16.799 17.926 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.989 17.807 19.187 1.00 50.00 H new ATOM 1726 N HIS A 119 -13.854 19.826 15.818 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.051 21.303 15.766 1.00 50.00 C ATOM 1728 C HIS A 119 -13.234 21.918 14.625 1.00 50.00 C ATOM 1729 O HIS A 119 -13.523 23.003 14.160 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.551 21.809 17.119 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.503 21.373 18.198 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -15.863 21.628 18.131 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.307 20.696 19.377 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.428 21.113 19.238 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.524 20.533 20.032 1.00 50.00 N ATOM 0 H HIS A 119 -13.239 19.496 16.562 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.091 21.574 15.582 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.553 21.419 17.320 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.471 22.896 17.106 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.348 22.117 17.379 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.353 20.344 19.741 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.484 21.163 19.458 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.217 21.238 14.170 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.391 21.794 13.059 1.00 12.50 C ATOM 1745 C LEU A 120 -12.294 22.283 11.923 1.00 12.50 C ATOM 1746 O LEU A 120 -13.088 21.539 11.385 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.518 20.628 12.592 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.088 21.121 12.362 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.140 20.410 13.330 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.668 20.820 10.922 1.00 12.50 C ATOM 0 H LEU A 120 -11.923 20.325 14.517 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.792 22.648 13.376 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -10.524 19.833 13.338 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -10.920 20.204 11.672 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.044 22.196 12.535 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.121 20.762 13.166 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -8.438 20.627 14.356 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.185 19.334 13.159 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.649 21.172 10.759 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.713 19.745 10.747 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.342 21.329 10.233 1.00 12.50 H new