USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 93 THR OG1 : rot 35:sc= 0.698 USER MOD Set 1.2: A 97 THR OG1 : rot -130:sc= 0.339 USER MOD Set 2.1: A 26 THR OG1 : rot -59:sc= 0.34 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 13 GLN : amide:sc= -0.0898 K(o=-0.09,f=-1.3!) USER MOD Single : A 17 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.51) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.402 X(o=0.4,f=-0.00016) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 68:sc= -0.32 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.403 K(o=0.4,f=-5.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 1.17 (180deg=0.399) USER MOD Single : A 37 ASN : amide:sc= 0.743 K(o=0.74,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 39 MET CE :methyl -166:sc= -2.69 (180deg=-3.79!) USER MOD Single : A 40 THR OG1 : rot -108:sc= 2.05 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 96:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= 1.17 K(o=1.2,f=-0.029) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.0782 K(o=-0.078,f=-1.3) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.132 USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -0.0436 (180deg=-0.683) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0.567 (180deg=0.412) USER MOD Single : A 82 HIS : no HD1:sc=-0.00867 X(o=-0.0087,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= 0.539 (180deg=-0.211) USER MOD Single : A 88 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.016) USER MOD Single : A 90 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.3!) USER MOD Single : A 91 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00521 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0838) USER MOD Single : A 101 ASN : amide:sc= 0.904 K(o=0.9,f=-0.95) USER MOD Single : A 102 THR OG1 : rot -66:sc= 0.389 USER MOD Single : A 104 CYS SG : rot 129:sc= -0.296 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 6 -15.091 -11.012 3.228 1.00 0.00 N ATOM 86 CA PRO A 6 -13.791 -10.385 3.122 1.00 0.00 C ATOM 87 C PRO A 6 -13.631 -9.373 4.258 1.00 0.00 C ATOM 88 O PRO A 6 -14.610 -8.903 4.851 1.00 0.00 O ATOM 89 CB PRO A 6 -13.771 -9.742 1.734 1.00 0.00 C ATOM 90 CG PRO A 6 -15.222 -9.308 1.557 1.00 0.00 C ATOM 91 CD PRO A 6 -16.023 -10.376 2.309 1.00 0.00 C ATOM 0 HA PRO A 6 -12.956 -11.079 3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.085 -8.896 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.460 -10.447 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.395 -8.315 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.501 -9.268 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.857 -9.928 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.445 -11.105 1.617 1.00 0.00 H new ATOM 99 N ILE A 7 -12.371 -9.047 4.527 1.00 0.00 N ATOM 100 CA ILE A 7 -11.878 -8.336 5.697 1.00 0.00 C ATOM 101 C ILE A 7 -12.261 -6.858 5.603 1.00 0.00 C ATOM 102 O ILE A 7 -11.410 -6.033 5.270 1.00 0.00 O ATOM 103 CB ILE A 7 -10.346 -8.547 5.793 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.900 -10.031 5.701 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.830 -7.933 7.102 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.413 -10.170 5.355 1.00 0.00 C ATOM 0 H ILE A 7 -11.616 -9.291 3.886 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.332 -8.724 6.609 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.913 -8.049 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.098 -10.527 6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.496 -10.541 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.752 -8.080 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.053 -6.866 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.318 -8.417 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.149 -11.226 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.218 -9.698 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.813 -9.684 6.125 1.00 0.00 H new ATOM 118 N ASP A 8 -13.539 -6.535 5.854 1.00 0.00 N ATOM 119 CA ASP A 8 -14.120 -5.181 5.772 1.00 0.00 C ATOM 120 C ASP A 8 -13.615 -4.439 4.520 1.00 0.00 C ATOM 121 O ASP A 8 -13.304 -3.245 4.514 1.00 0.00 O ATOM 122 CB ASP A 8 -13.826 -4.463 7.089 1.00 0.00 C ATOM 123 CG ASP A 8 -14.311 -3.032 7.254 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.202 -2.502 6.552 1.00 0.00 O ATOM 125 OD2 ASP A 8 -13.848 -2.491 8.279 1.00 0.00 O ATOM 0 H ASP A 8 -14.226 -7.236 6.131 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.202 -5.221 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.259 -5.056 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.746 -4.467 7.236 1.00 0.00 H new ATOM 130 N LEU A 9 -13.395 -5.225 3.462 1.00 0.00 N ATOM 131 CA LEU A 9 -12.538 -4.843 2.365 1.00 0.00 C ATOM 132 C LEU A 9 -13.423 -4.183 1.335 1.00 0.00 C ATOM 133 O LEU A 9 -14.448 -4.733 0.916 1.00 0.00 O ATOM 134 CB LEU A 9 -11.797 -6.061 1.798 1.00 0.00 C ATOM 135 CG LEU A 9 -10.309 -5.773 1.530 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.742 -6.945 0.756 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.016 -4.547 0.665 1.00 0.00 C ATOM 0 H LEU A 9 -13.815 -6.148 3.354 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.761 -4.151 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.883 -6.892 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.276 -6.374 0.870 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.872 -5.600 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.686 -6.769 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.850 -7.856 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.281 -7.054 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.939 -4.439 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.484 -4.671 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.417 -3.656 1.149 1.00 0.00 H new ATOM 149 N VAL A 10 -13.025 -2.993 0.930 1.00 0.00 N ATOM 150 CA VAL A 10 -13.887 -2.068 0.206 1.00 0.00 C ATOM 151 C VAL A 10 -13.047 -1.382 -0.868 1.00 0.00 C ATOM 152 O VAL A 10 -12.024 -0.766 -0.557 1.00 0.00 O ATOM 153 CB VAL A 10 -14.657 -1.116 1.131 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.831 -1.802 1.834 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.776 -0.512 2.197 1.00 0.00 C ATOM 0 H VAL A 10 -12.085 -2.634 1.094 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.690 -2.613 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.030 -0.333 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.341 -1.084 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.529 -2.182 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.460 -2.629 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.369 0.154 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.351 -1.306 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.972 0.054 1.727 1.00 0.00 H new ATOM 165 N PRO A 11 -13.392 -1.551 -2.152 1.00 0.00 N ATOM 166 CA PRO A 11 -12.705 -0.846 -3.211 1.00 0.00 C ATOM 167 C PRO A 11 -12.920 0.661 -3.050 1.00 0.00 C ATOM 168 O PRO A 11 -14.052 1.116 -2.870 1.00 0.00 O ATOM 169 CB PRO A 11 -13.269 -1.367 -4.520 1.00 0.00 C ATOM 170 CG PRO A 11 -14.357 -2.379 -4.161 1.00 0.00 C ATOM 171 CD PRO A 11 -14.564 -2.237 -2.659 1.00 0.00 C ATOM 0 HA PRO A 11 -11.628 -1.013 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.681 -0.552 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.488 -1.836 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.279 -2.174 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.052 -3.393 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.470 -1.671 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.678 -3.213 -2.188 1.00 0.00 H new ATOM 179 N THR A 12 -11.854 1.444 -3.147 1.00 0.00 N ATOM 180 CA THR A 12 -11.881 2.899 -3.170 1.00 0.00 C ATOM 181 C THR A 12 -11.013 3.359 -4.342 1.00 0.00 C ATOM 182 O THR A 12 -10.718 2.573 -5.249 1.00 0.00 O ATOM 183 CB THR A 12 -11.493 3.475 -1.796 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.694 4.869 -1.753 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.045 3.206 -1.390 1.00 0.00 C ATOM 0 H THR A 12 -10.909 1.067 -3.215 1.00 0.00 H new ATOM 0 HA THR A 12 -12.885 3.288 -3.340 1.00 0.00 H new ATOM 0 HB THR A 12 -12.145 2.957 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.442 5.209 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.854 3.645 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.873 2.131 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.373 3.650 -2.124 1.00 0.00 H new ATOM 193 N GLN A 13 -10.664 4.639 -4.363 1.00 0.00 N ATOM 194 CA GLN A 13 -9.942 5.305 -5.425 1.00 0.00 C ATOM 195 C GLN A 13 -9.037 6.378 -4.829 1.00 0.00 C ATOM 196 O GLN A 13 -9.354 6.895 -3.754 1.00 0.00 O ATOM 197 CB GLN A 13 -10.970 5.881 -6.419 1.00 0.00 C ATOM 198 CG GLN A 13 -12.094 6.771 -5.850 1.00 0.00 C ATOM 199 CD GLN A 13 -13.285 6.867 -6.813 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.602 5.926 -7.547 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.000 7.977 -6.806 1.00 0.00 N ATOM 0 H GLN A 13 -10.892 5.270 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.298 4.611 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.427 6.462 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.435 5.046 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.430 6.367 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.703 7.769 -5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.734 8.751 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.819 8.060 -7.409 1.00 0.00 H new ATOM 210 N PRO A 14 -7.949 6.754 -5.520 1.00 0.00 N ATOM 211 CA PRO A 14 -7.275 8.005 -5.239 1.00 0.00 C ATOM 212 C PRO A 14 -8.215 9.135 -5.606 1.00 0.00 C ATOM 213 O PRO A 14 -8.907 9.092 -6.630 1.00 0.00 O ATOM 214 CB PRO A 14 -6.027 8.012 -6.107 1.00 0.00 C ATOM 215 CG PRO A 14 -6.407 7.141 -7.305 1.00 0.00 C ATOM 216 CD PRO A 14 -7.406 6.138 -6.726 1.00 0.00 C ATOM 0 HA PRO A 14 -6.999 8.123 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.761 9.023 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.167 7.605 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.853 7.733 -8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.536 6.640 -7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.198 5.920 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.917 5.192 -6.494 1.00 0.00 H new ATOM 224 N LEU A 15 -8.245 10.149 -4.759 1.00 0.00 N ATOM 225 CA LEU A 15 -8.928 11.382 -5.084 1.00 0.00 C ATOM 226 C LEU A 15 -8.130 12.148 -6.161 1.00 0.00 C ATOM 227 O LEU A 15 -6.925 11.916 -6.334 1.00 0.00 O ATOM 228 CB LEU A 15 -9.229 12.145 -3.787 1.00 0.00 C ATOM 229 CG LEU A 15 -8.099 13.064 -3.291 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.716 14.412 -2.915 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.305 12.449 -2.141 1.00 0.00 C ATOM 0 H LEU A 15 -7.802 10.139 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.902 11.209 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.125 12.747 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.458 11.422 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.370 13.204 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.934 15.083 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.199 14.848 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.455 14.267 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.521 13.139 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.972 12.256 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.855 11.512 -2.470 1.00 0.00 H new ATOM 243 N PRO A 16 -8.781 13.066 -6.889 1.00 0.00 N ATOM 244 CA PRO A 16 -8.101 13.972 -7.797 1.00 0.00 C ATOM 245 C PRO A 16 -7.330 15.011 -6.970 1.00 0.00 C ATOM 246 O PRO A 16 -7.455 15.069 -5.748 1.00 0.00 O ATOM 247 CB PRO A 16 -9.221 14.592 -8.636 1.00 0.00 C ATOM 248 CG PRO A 16 -10.472 14.506 -7.755 1.00 0.00 C ATOM 249 CD PRO A 16 -10.114 13.565 -6.615 1.00 0.00 C ATOM 0 HA PRO A 16 -7.367 13.491 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.993 15.625 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.359 14.050 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.752 15.489 -7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.323 14.128 -8.321 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.143 14.087 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.829 12.745 -6.552 1.00 0.00 H new ATOM 257 N ASN A 17 -6.532 15.869 -7.604 1.00 0.00 N ATOM 258 CA ASN A 17 -5.754 16.949 -6.973 1.00 0.00 C ATOM 259 C ASN A 17 -4.596 16.429 -6.102 1.00 0.00 C ATOM 260 O ASN A 17 -3.656 17.177 -5.838 1.00 0.00 O ATOM 261 CB ASN A 17 -6.605 17.939 -6.129 1.00 0.00 C ATOM 262 CG ASN A 17 -8.112 17.981 -6.382 1.00 0.00 C ATOM 263 OD1 ASN A 17 -8.583 18.132 -7.510 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.914 17.942 -5.329 1.00 0.00 N ATOM 0 H ASN A 17 -6.400 15.834 -8.615 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.349 17.493 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.449 17.701 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.210 18.942 -6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.922 18.037 -5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.524 17.817 -4.395 1.00 0.00 H new ATOM 271 N ALA A 18 -4.655 15.186 -5.621 1.00 0.00 N ATOM 272 CA ALA A 18 -3.626 14.554 -4.813 1.00 0.00 C ATOM 273 C ALA A 18 -2.345 14.393 -5.633 1.00 0.00 C ATOM 274 O ALA A 18 -2.414 13.979 -6.793 1.00 0.00 O ATOM 275 CB ALA A 18 -4.149 13.200 -4.330 1.00 0.00 C ATOM 0 H ALA A 18 -5.453 14.574 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.389 15.173 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.388 12.712 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.049 13.349 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.383 12.573 -5.190 1.00 0.00 H new ATOM 281 N SER A 19 -1.199 14.666 -5.012 1.00 0.00 N ATOM 282 CA SER A 19 0.139 14.598 -5.573 1.00 0.00 C ATOM 283 C SER A 19 1.134 14.275 -4.454 1.00 0.00 C ATOM 284 O SER A 19 0.836 14.375 -3.261 1.00 0.00 O ATOM 285 CB SER A 19 0.493 15.921 -6.268 1.00 0.00 C ATOM 286 OG SER A 19 0.361 15.757 -7.667 1.00 0.00 O ATOM 0 H SER A 19 -1.186 14.961 -4.036 1.00 0.00 H new ATOM 0 HA SER A 19 0.186 13.809 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.164 16.717 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.512 16.216 -6.018 1.00 0.00 H new ATOM 0 HG SER A 19 0.584 16.598 -8.117 1.00 0.00 H new ATOM 292 N PHE A 20 2.290 13.755 -4.842 1.00 0.00 N ATOM 293 CA PHE A 20 3.225 13.140 -3.929 1.00 0.00 C ATOM 294 C PHE A 20 3.985 14.188 -3.103 1.00 0.00 C ATOM 295 O PHE A 20 3.776 15.396 -3.248 1.00 0.00 O ATOM 296 CB PHE A 20 4.141 12.215 -4.742 1.00 0.00 C ATOM 297 CG PHE A 20 5.099 11.397 -3.908 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.636 10.609 -2.833 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.477 11.516 -4.140 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.545 9.923 -2.012 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.381 10.832 -3.320 1.00 0.00 C ATOM 302 CZ PHE A 20 6.921 10.036 -2.256 1.00 0.00 C ATOM 0 H PHE A 20 2.603 13.752 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 20 2.697 12.540 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.523 11.538 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.715 12.818 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.576 10.533 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.839 12.133 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.186 9.312 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.442 10.916 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.626 9.513 -1.628 1.00 0.00 H new ATOM 312 N ASP A 21 4.825 13.729 -2.172 1.00 0.00 N ATOM 313 CA ASP A 21 5.412 14.556 -1.133 1.00 0.00 C ATOM 314 C ASP A 21 6.707 13.915 -0.606 1.00 0.00 C ATOM 315 O ASP A 21 7.026 12.780 -0.959 1.00 0.00 O ATOM 316 CB ASP A 21 4.368 14.649 -0.013 1.00 0.00 C ATOM 317 CG ASP A 21 4.675 15.656 1.087 1.00 0.00 C ATOM 318 OD1 ASP A 21 5.602 16.479 0.946 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.895 15.653 2.064 1.00 0.00 O ATOM 0 H ASP A 21 5.117 12.753 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 21 5.671 15.544 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.406 14.904 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.258 13.664 0.440 1.00 0.00 H new ATOM 324 N ASN A 22 7.436 14.565 0.301 1.00 0.00 N ATOM 325 CA ASN A 22 8.557 13.995 1.053 1.00 0.00 C ATOM 326 C ASN A 22 8.109 12.969 2.112 1.00 0.00 C ATOM 327 O ASN A 22 8.854 12.732 3.061 1.00 0.00 O ATOM 328 CB ASN A 22 9.419 15.117 1.679 1.00 0.00 C ATOM 329 CG ASN A 22 10.536 15.630 0.787 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.663 16.836 0.589 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.398 14.764 0.279 1.00 0.00 N ATOM 0 H ASN A 22 7.256 15.540 0.542 1.00 0.00 H new ATOM 0 HA ASN A 22 9.171 13.443 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.770 15.952 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.854 14.747 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.181 15.095 -0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.280 13.766 0.452 1.00 0.00 H new ATOM 338 N PHE A 23 6.925 12.346 2.035 1.00 0.00 N ATOM 339 CA PHE A 23 6.661 11.233 2.948 1.00 0.00 C ATOM 340 C PHE A 23 7.459 10.014 2.486 1.00 0.00 C ATOM 341 O PHE A 23 7.506 9.679 1.298 1.00 0.00 O ATOM 342 CB PHE A 23 5.168 10.935 3.156 1.00 0.00 C ATOM 343 CG PHE A 23 4.429 10.180 2.073 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.573 8.780 1.953 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.507 10.861 1.258 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.802 8.075 1.022 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.721 10.152 0.341 1.00 0.00 C ATOM 348 CZ PHE A 23 2.871 8.763 0.235 1.00 0.00 C ATOM 0 H PHE A 23 6.173 12.579 1.386 1.00 0.00 H new ATOM 0 HA PHE A 23 7.000 11.524 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.068 10.370 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.657 11.886 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.278 8.254 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.405 11.933 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.924 7.008 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.005 10.671 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.258 8.214 -0.465 1.00 0.00 H new ATOM 358 N LYS A 24 8.079 9.331 3.441 1.00 0.00 N ATOM 359 CA LYS A 24 8.564 7.972 3.284 1.00 0.00 C ATOM 360 C LYS A 24 7.504 7.039 3.854 1.00 0.00 C ATOM 361 O LYS A 24 6.692 7.450 4.688 1.00 0.00 O ATOM 362 CB LYS A 24 9.901 7.855 4.024 1.00 0.00 C ATOM 363 CG LYS A 24 10.552 6.479 3.906 1.00 0.00 C ATOM 364 CD LYS A 24 12.016 6.420 4.364 1.00 0.00 C ATOM 365 CE LYS A 24 12.614 5.240 3.581 1.00 0.00 C ATOM 366 NZ LYS A 24 14.004 4.921 3.946 1.00 0.00 N ATOM 0 H LYS A 24 8.261 9.719 4.367 1.00 0.00 H new ATOM 0 HA LYS A 24 8.735 7.705 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.588 8.606 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.743 8.083 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.973 5.767 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.497 6.154 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.539 7.350 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.090 6.261 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.995 4.358 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.572 5.466 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.336 4.117 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.609 5.747 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.050 4.674 4.955 1.00 0.00 H new ATOM 380 N LEU A 25 7.571 5.768 3.481 1.00 0.00 N ATOM 381 CA LEU A 25 6.910 4.679 4.192 1.00 0.00 C ATOM 382 C LEU A 25 7.958 3.632 4.567 1.00 0.00 C ATOM 383 O LEU A 25 8.993 3.523 3.904 1.00 0.00 O ATOM 384 CB LEU A 25 5.684 4.150 3.418 1.00 0.00 C ATOM 385 CG LEU A 25 5.826 3.934 1.897 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.670 2.707 1.545 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.455 3.730 1.255 1.00 0.00 C ATOM 0 H LEU A 25 8.095 5.458 2.662 1.00 0.00 H new ATOM 0 HA LEU A 25 6.477 5.033 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.392 3.200 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.861 4.845 3.581 1.00 0.00 H new ATOM 0 HG LEU A 25 6.319 4.830 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.733 2.608 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.672 2.824 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.207 1.814 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.574 3.579 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.975 2.855 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.836 4.610 1.431 1.00 0.00 H new ATOM 399 N THR A 26 7.743 2.910 5.663 1.00 0.00 N ATOM 400 CA THR A 26 8.708 2.011 6.292 1.00 0.00 C ATOM 401 C THR A 26 7.949 0.770 6.789 1.00 0.00 C ATOM 402 O THR A 26 6.720 0.785 6.823 1.00 0.00 O ATOM 403 CB THR A 26 9.454 2.758 7.422 1.00 0.00 C ATOM 404 OG1 THR A 26 8.629 2.949 8.545 1.00 0.00 O ATOM 405 CG2 THR A 26 9.984 4.140 7.004 1.00 0.00 C ATOM 0 H THR A 26 6.852 2.936 6.159 1.00 0.00 H new ATOM 0 HA THR A 26 9.469 1.681 5.585 1.00 0.00 H new ATOM 0 HB THR A 26 10.300 2.114 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.838 3.467 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.495 4.604 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.682 4.026 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.151 4.770 6.693 1.00 0.00 H new ATOM 413 N CYS A 27 8.625 -0.329 7.137 1.00 0.00 N ATOM 414 CA CYS A 27 7.999 -1.563 7.621 1.00 0.00 C ATOM 415 C CYS A 27 9.086 -2.460 8.234 1.00 0.00 C ATOM 416 O CYS A 27 10.275 -2.127 8.176 1.00 0.00 O ATOM 417 CB CYS A 27 7.280 -2.220 6.422 1.00 0.00 C ATOM 418 SG CYS A 27 6.463 -3.811 6.751 1.00 0.00 S ATOM 0 H CYS A 27 9.642 -0.387 7.089 1.00 0.00 H new ATOM 0 HA CYS A 27 7.261 -1.379 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.532 -1.522 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.008 -2.367 5.624 1.00 0.00 H new ATOM 0 HG CYS A 27 5.445 -3.622 7.536 1.00 0.00 H new ATOM 424 N SER A 28 8.707 -3.621 8.777 1.00 0.00 N ATOM 425 CA SER A 28 9.601 -4.756 8.980 1.00 0.00 C ATOM 426 C SER A 28 10.356 -5.098 7.697 1.00 0.00 C ATOM 427 O SER A 28 11.574 -5.265 7.735 1.00 0.00 O ATOM 428 CB SER A 28 8.816 -5.989 9.438 1.00 0.00 C ATOM 429 OG SER A 28 8.745 -6.065 10.845 1.00 0.00 O ATOM 0 H SER A 28 7.753 -3.797 9.092 1.00 0.00 H new ATOM 0 HA SER A 28 10.317 -4.471 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.809 -5.955 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.291 -6.889 9.048 1.00 0.00 H new ATOM 0 HG SER A 28 8.236 -6.862 11.104 1.00 0.00 H new ATOM 435 N ASN A 29 9.651 -5.276 6.573 1.00 0.00 N ATOM 436 CA ASN A 29 10.308 -5.702 5.341 1.00 0.00 C ATOM 437 C ASN A 29 10.834 -4.471 4.616 1.00 0.00 C ATOM 438 O ASN A 29 10.046 -3.694 4.074 1.00 0.00 O ATOM 439 CB ASN A 29 9.388 -6.535 4.443 1.00 0.00 C ATOM 440 CG ASN A 29 10.212 -7.188 3.335 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.879 -6.528 2.545 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.272 -8.510 3.301 1.00 0.00 N ATOM 0 H ASN A 29 8.644 -5.134 6.495 1.00 0.00 H new ATOM 0 HA ASN A 29 11.139 -6.358 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.881 -7.299 5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.614 -5.901 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.871 -8.976 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.719 -9.063 3.956 1.00 0.00 H new ATOM 449 N THR A 30 12.148 -4.274 4.653 1.00 0.00 N ATOM 450 CA THR A 30 12.805 -3.138 4.027 1.00 0.00 C ATOM 451 C THR A 30 12.519 -3.110 2.523 1.00 0.00 C ATOM 452 O THR A 30 11.971 -2.122 2.059 1.00 0.00 O ATOM 453 CB THR A 30 14.306 -3.118 4.356 1.00 0.00 C ATOM 454 OG1 THR A 30 14.926 -4.355 4.042 1.00 0.00 O ATOM 455 CG2 THR A 30 14.556 -2.832 5.838 1.00 0.00 C ATOM 0 H THR A 30 12.792 -4.908 5.125 1.00 0.00 H new ATOM 0 HA THR A 30 12.391 -2.219 4.441 1.00 0.00 H new ATOM 0 HB THR A 30 14.735 -2.322 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.880 -4.308 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.629 -2.826 6.031 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.135 -1.861 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.083 -3.605 6.443 1.00 0.00 H new ATOM 463 N LYS A 31 12.818 -4.166 1.747 1.00 0.00 N ATOM 464 CA LYS A 31 12.619 -4.181 0.307 1.00 0.00 C ATOM 465 C LYS A 31 11.158 -3.950 -0.055 1.00 0.00 C ATOM 466 O LYS A 31 10.918 -3.347 -1.089 1.00 0.00 O ATOM 467 CB LYS A 31 13.157 -5.513 -0.235 1.00 0.00 C ATOM 468 CG LYS A 31 12.725 -5.875 -1.659 1.00 0.00 C ATOM 469 CD LYS A 31 13.215 -4.909 -2.746 1.00 0.00 C ATOM 470 CE LYS A 31 12.657 -5.522 -4.025 1.00 0.00 C ATOM 471 NZ LYS A 31 12.910 -4.726 -5.249 1.00 0.00 N ATOM 0 H LYS A 31 13.207 -5.034 2.115 1.00 0.00 H new ATOM 0 HA LYS A 31 13.167 -3.361 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.246 -5.484 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.839 -6.312 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.090 -6.876 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.636 -5.917 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.841 -3.898 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.303 -4.846 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.089 -6.514 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.581 -5.656 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.068 -5.366 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.088 -4.120 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.752 -4.132 -5.109 1.00 0.00 H new ATOM 485 N PHE A 32 10.186 -4.401 0.743 1.00 0.00 N ATOM 486 CA PHE A 32 8.789 -4.070 0.492 1.00 0.00 C ATOM 487 C PHE A 32 8.655 -2.553 0.470 1.00 0.00 C ATOM 488 O PHE A 32 8.398 -1.982 -0.586 1.00 0.00 O ATOM 489 CB PHE A 32 7.879 -4.698 1.555 1.00 0.00 C ATOM 490 CG PHE A 32 6.389 -4.605 1.270 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.879 -5.175 0.093 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.497 -4.003 2.180 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.502 -5.171 -0.179 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.116 -3.985 1.902 1.00 0.00 C ATOM 495 CZ PHE A 32 3.616 -4.576 0.730 1.00 0.00 C ATOM 0 H PHE A 32 10.343 -4.991 1.560 1.00 0.00 H new ATOM 0 HA PHE A 32 8.476 -4.476 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.147 -5.749 1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.080 -4.217 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.558 -5.625 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.872 -3.556 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.127 -5.624 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.436 -3.513 2.596 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.555 -4.572 0.530 1.00 0.00 H new ATOM 505 N ALA A 33 8.909 -1.901 1.606 1.00 0.00 N ATOM 506 CA ALA A 33 8.783 -0.459 1.727 1.00 0.00 C ATOM 507 C ALA A 33 9.654 0.264 0.695 1.00 0.00 C ATOM 508 O ALA A 33 9.259 1.299 0.174 1.00 0.00 O ATOM 509 CB ALA A 33 9.156 -0.036 3.151 1.00 0.00 C ATOM 0 H ALA A 33 9.208 -2.364 2.465 1.00 0.00 H new ATOM 0 HA ALA A 33 7.749 -0.178 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.063 1.046 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.487 -0.521 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.184 -0.331 3.361 1.00 0.00 H new ATOM 515 N ASP A 34 10.839 -0.251 0.387 1.00 0.00 N ATOM 516 CA ASP A 34 11.826 0.463 -0.419 1.00 0.00 C ATOM 517 C ASP A 34 11.585 0.306 -1.920 1.00 0.00 C ATOM 518 O ASP A 34 11.947 1.197 -2.686 1.00 0.00 O ATOM 519 CB ASP A 34 13.256 0.057 -0.043 1.00 0.00 C ATOM 520 CG ASP A 34 14.221 1.197 -0.362 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.022 2.302 0.198 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.177 1.010 -1.148 1.00 0.00 O ATOM 0 H ASP A 34 11.144 -1.176 0.689 1.00 0.00 H new ATOM 0 HA ASP A 34 11.703 1.522 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.307 -0.188 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.545 -0.840 -0.591 1.00 0.00 H new ATOM 527 N ASP A 35 10.949 -0.789 -2.348 1.00 0.00 N ATOM 528 CA ASP A 35 10.427 -0.965 -3.706 1.00 0.00 C ATOM 529 C ASP A 35 9.209 -0.074 -3.924 1.00 0.00 C ATOM 530 O ASP A 35 9.052 0.545 -4.976 1.00 0.00 O ATOM 531 CB ASP A 35 10.052 -2.417 -3.956 1.00 0.00 C ATOM 532 CG ASP A 35 9.866 -2.660 -5.451 1.00 0.00 C ATOM 533 OD1 ASP A 35 10.890 -2.949 -6.112 1.00 0.00 O ATOM 534 OD2 ASP A 35 8.729 -2.622 -5.979 1.00 0.00 O ATOM 0 H ASP A 35 10.779 -1.595 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 35 11.210 -0.680 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.830 -3.074 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.133 -2.660 -3.423 1.00 0.00 H new ATOM 539 N LEU A 36 8.362 0.025 -2.899 1.00 0.00 N ATOM 540 CA LEU A 36 7.160 0.842 -2.922 1.00 0.00 C ATOM 541 C LEU A 36 7.523 2.328 -2.969 1.00 0.00 C ATOM 542 O LEU A 36 6.999 3.069 -3.802 1.00 0.00 O ATOM 543 CB LEU A 36 6.292 0.517 -1.700 1.00 0.00 C ATOM 544 CG LEU A 36 5.702 -0.907 -1.736 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.139 -1.238 -0.351 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.663 -1.073 -2.844 1.00 0.00 C ATOM 0 H LEU A 36 8.499 -0.470 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 36 6.587 0.615 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.890 0.633 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.478 1.239 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 36 6.492 -1.618 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.718 -2.243 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.938 -1.186 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.360 -0.520 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.276 -2.092 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.844 -0.371 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.127 -0.874 -3.810 1.00 0.00 H new ATOM 558 N ASN A 37 8.469 2.754 -2.125 1.00 0.00 N ATOM 559 CA ASN A 37 9.034 4.100 -2.108 1.00 0.00 C ATOM 560 C ASN A 37 9.600 4.465 -3.484 1.00 0.00 C ATOM 561 O ASN A 37 9.503 5.621 -3.902 1.00 0.00 O ATOM 562 CB ASN A 37 10.169 4.172 -1.071 1.00 0.00 C ATOM 563 CG ASN A 37 9.741 4.551 0.346 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.152 5.597 0.598 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.083 3.725 1.318 1.00 0.00 N ATOM 0 H ASN A 37 8.874 2.147 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 37 8.241 4.801 -1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.667 3.203 -1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.907 4.897 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.857 3.955 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.573 2.857 1.101 1.00 0.00 H new ATOM 572 N GLN A 38 10.200 3.493 -4.183 1.00 0.00 N ATOM 573 CA GLN A 38 10.796 3.662 -5.499 1.00 0.00 C ATOM 574 C GLN A 38 9.709 4.131 -6.458 1.00 0.00 C ATOM 575 O GLN A 38 9.894 5.146 -7.129 1.00 0.00 O ATOM 576 CB GLN A 38 11.458 2.342 -5.941 1.00 0.00 C ATOM 577 CG GLN A 38 12.981 2.439 -6.058 1.00 0.00 C ATOM 578 CD GLN A 38 13.511 3.112 -7.321 1.00 0.00 C ATOM 579 OE1 GLN A 38 12.822 3.330 -8.313 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.796 3.407 -7.346 1.00 0.00 N ATOM 0 H GLN A 38 10.283 2.540 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 38 11.583 4.416 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.204 1.559 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.045 2.041 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.358 2.985 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.395 1.432 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.376 3.229 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.210 3.813 -8.185 1.00 0.00 H new ATOM 589 N MET A 39 8.560 3.446 -6.464 1.00 0.00 N ATOM 590 CA MET A 39 7.501 3.676 -7.429 1.00 0.00 C ATOM 591 C MET A 39 6.892 5.067 -7.309 1.00 0.00 C ATOM 592 O MET A 39 6.465 5.644 -8.313 1.00 0.00 O ATOM 593 CB MET A 39 6.377 2.667 -7.208 1.00 0.00 C ATOM 594 CG MET A 39 6.811 1.215 -7.377 1.00 0.00 C ATOM 595 SD MET A 39 5.846 0.074 -6.363 1.00 0.00 S ATOM 596 CE MET A 39 4.173 0.481 -6.886 1.00 0.00 C ATOM 0 H MET A 39 8.346 2.712 -5.789 1.00 0.00 H new ATOM 0 HA MET A 39 7.952 3.572 -8.416 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.973 2.801 -6.205 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.569 2.879 -7.908 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.716 0.932 -8.425 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.865 1.123 -7.116 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.458 0.049 -6.186 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.052 1.564 -6.907 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.995 0.076 -7.882 1.00 0.00 H new ATOM 606 N THR A 40 6.769 5.576 -6.083 1.00 0.00 N ATOM 607 CA THR A 40 6.188 6.886 -5.838 1.00 0.00 C ATOM 608 C THR A 40 7.249 7.989 -5.934 1.00 0.00 C ATOM 609 O THR A 40 6.881 9.159 -5.883 1.00 0.00 O ATOM 610 CB THR A 40 5.392 6.864 -4.523 1.00 0.00 C ATOM 611 OG1 THR A 40 4.594 8.029 -4.396 1.00 0.00 O ATOM 612 CG2 THR A 40 6.263 6.644 -3.285 1.00 0.00 C ATOM 0 H THR A 40 7.070 5.090 -5.238 1.00 0.00 H new ATOM 0 HA THR A 40 5.469 7.132 -6.620 1.00 0.00 H new ATOM 0 HB THR A 40 4.735 5.996 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.977 8.615 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.635 6.640 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.780 5.688 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.996 7.447 -3.208 1.00 0.00 H new ATOM 620 N GLY A 41 8.531 7.663 -6.129 1.00 0.00 N ATOM 621 CA GLY A 41 9.568 8.665 -6.309 1.00 0.00 C ATOM 622 C GLY A 41 10.017 9.289 -4.990 1.00 0.00 C ATOM 623 O GLY A 41 10.412 10.453 -4.979 1.00 0.00 O ATOM 0 H GLY A 41 8.870 6.702 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.427 8.209 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.200 9.449 -6.971 1.00 0.00 H new ATOM 627 N PHE A 42 9.954 8.556 -3.875 1.00 0.00 N ATOM 628 CA PHE A 42 10.371 9.052 -2.564 1.00 0.00 C ATOM 629 C PHE A 42 11.822 9.550 -2.595 1.00 0.00 C ATOM 630 O PHE A 42 12.688 8.905 -3.201 1.00 0.00 O ATOM 631 CB PHE A 42 10.175 7.942 -1.523 1.00 0.00 C ATOM 632 CG PHE A 42 11.001 8.137 -0.271 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.796 9.259 0.553 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.092 7.283 -0.031 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.725 9.561 1.552 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.996 7.555 1.002 1.00 0.00 C ATOM 637 CZ PHE A 42 12.813 8.702 1.784 1.00 0.00 C ATOM 0 H PHE A 42 9.610 7.596 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 42 9.754 9.907 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.121 7.893 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.432 6.983 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.926 9.883 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.234 6.409 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.607 10.455 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.824 6.889 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.515 8.929 2.573 1.00 0.00 H new ATOM 647 N THR A 43 12.111 10.647 -1.891 1.00 0.00 N ATOM 648 CA THR A 43 13.468 11.050 -1.562 1.00 0.00 C ATOM 649 C THR A 43 13.515 11.693 -0.179 1.00 0.00 C ATOM 650 O THR A 43 12.515 12.204 0.332 1.00 0.00 O ATOM 651 CB THR A 43 14.009 11.935 -2.703 1.00 0.00 C ATOM 652 OG1 THR A 43 15.413 11.819 -2.808 1.00 0.00 O ATOM 653 CG2 THR A 43 13.627 13.415 -2.604 1.00 0.00 C ATOM 0 H THR A 43 11.398 11.282 -1.533 1.00 0.00 H new ATOM 0 HA THR A 43 14.131 10.188 -1.490 1.00 0.00 H new ATOM 0 HB THR A 43 13.525 11.553 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 43 15.734 12.387 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.052 13.958 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.541 13.512 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.016 13.830 -1.674 1.00 0.00 H new ATOM 661 N LYS A 44 14.686 11.621 0.452 1.00 0.00 N ATOM 662 CA LYS A 44 14.973 12.294 1.704 1.00 0.00 C ATOM 663 C LYS A 44 15.342 13.754 1.453 1.00 0.00 C ATOM 664 O LYS A 44 15.729 14.086 0.334 1.00 0.00 O ATOM 665 CB LYS A 44 16.075 11.517 2.450 1.00 0.00 C ATOM 666 CG LYS A 44 15.467 10.660 3.571 1.00 0.00 C ATOM 667 CD LYS A 44 16.120 9.286 3.717 1.00 0.00 C ATOM 668 CE LYS A 44 17.596 9.432 4.098 1.00 0.00 C ATOM 669 NZ LYS A 44 18.359 8.193 3.866 1.00 0.00 N ATOM 0 H LYS A 44 15.474 11.080 0.094 1.00 0.00 H new ATOM 0 HA LYS A 44 14.087 12.308 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.616 10.880 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.799 12.215 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.556 11.197 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.402 10.528 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.597 8.707 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.033 8.734 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.040 10.243 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.672 9.711 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.352 8.341 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.954 7.424 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.311 7.939 2.859 1.00 0.00 H new ATOM 683 N PRO A 45 15.293 14.588 2.501 1.00 0.00 N ATOM 684 CA PRO A 45 14.874 14.195 3.838 1.00 0.00 C ATOM 685 C PRO A 45 13.363 13.973 3.913 1.00 0.00 C ATOM 686 O PRO A 45 12.579 14.821 3.486 1.00 0.00 O ATOM 687 CB PRO A 45 15.289 15.321 4.753 1.00 0.00 C ATOM 688 CG PRO A 45 15.309 16.548 3.845 1.00 0.00 C ATOM 689 CD PRO A 45 15.688 15.983 2.476 1.00 0.00 C ATOM 0 HA PRO A 45 15.335 13.250 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.586 15.446 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.268 15.136 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.338 17.042 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.033 17.287 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.177 16.520 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.758 16.083 2.294 1.00 0.00 H new ATOM 697 N ALA A 46 12.956 12.799 4.403 1.00 0.00 N ATOM 698 CA ALA A 46 11.556 12.468 4.486 1.00 0.00 C ATOM 699 C ALA A 46 10.937 13.271 5.627 1.00 0.00 C ATOM 700 O ALA A 46 11.345 13.103 6.781 1.00 0.00 O ATOM 701 CB ALA A 46 11.360 10.968 4.685 1.00 0.00 C ATOM 0 H ALA A 46 13.585 12.072 4.744 1.00 0.00 H new ATOM 0 HA ALA A 46 11.058 12.727 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.295 10.745 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.797 10.429 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.848 10.657 5.609 1.00 0.00 H new ATOM 707 N SER A 47 9.980 14.135 5.307 1.00 0.00 N ATOM 708 CA SER A 47 9.287 14.978 6.277 1.00 0.00 C ATOM 709 C SER A 47 8.480 14.132 7.267 1.00 0.00 C ATOM 710 O SER A 47 8.315 14.517 8.428 1.00 0.00 O ATOM 711 CB SER A 47 8.372 15.960 5.538 1.00 0.00 C ATOM 712 OG SER A 47 9.096 16.642 4.533 1.00 0.00 O ATOM 0 H SER A 47 9.658 14.272 4.349 1.00 0.00 H new ATOM 0 HA SER A 47 10.029 15.536 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.535 15.423 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.951 16.677 6.243 1.00 0.00 H new ATOM 0 HG SER A 47 8.501 17.265 4.067 1.00 0.00 H new ATOM 718 N ARG A 48 8.005 12.955 6.844 1.00 0.00 N ATOM 719 CA ARG A 48 7.489 11.931 7.743 1.00 0.00 C ATOM 720 C ARG A 48 7.889 10.551 7.245 1.00 0.00 C ATOM 721 O ARG A 48 8.278 10.397 6.084 1.00 0.00 O ATOM 722 CB ARG A 48 5.961 12.050 7.934 1.00 0.00 C ATOM 723 CG ARG A 48 5.144 11.763 6.658 1.00 0.00 C ATOM 724 CD ARG A 48 3.726 11.233 6.945 1.00 0.00 C ATOM 725 NE ARG A 48 2.663 12.204 6.641 1.00 0.00 N ATOM 726 CZ ARG A 48 2.422 13.354 7.281 1.00 0.00 C ATOM 727 NH1 ARG A 48 3.103 13.694 8.371 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.498 14.180 6.814 1.00 0.00 N ATOM 0 H ARG A 48 7.970 12.690 5.860 1.00 0.00 H new ATOM 0 HA ARG A 48 7.935 12.084 8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.648 11.358 8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.726 13.055 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.070 12.678 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.680 11.035 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.559 10.329 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.658 10.949 7.995 1.00 0.00 H new ATOM 0 HE ARG A 48 2.046 11.977 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.826 13.073 8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.903 14.576 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.976 13.938 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.309 15.059 7.296 1.00 0.00 H new ATOM 742 N GLU A 49 7.707 9.553 8.095 1.00 0.00 N ATOM 743 CA GLU A 49 7.890 8.147 7.813 1.00 0.00 C ATOM 744 C GLU A 49 6.613 7.464 8.291 1.00 0.00 C ATOM 745 O GLU A 49 6.407 7.300 9.494 1.00 0.00 O ATOM 746 CB GLU A 49 9.146 7.618 8.523 1.00 0.00 C ATOM 747 CG GLU A 49 10.439 8.061 7.812 1.00 0.00 C ATOM 748 CD GLU A 49 11.709 7.944 8.658 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.660 8.239 9.877 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.766 7.602 8.070 1.00 0.00 O ATOM 0 H GLU A 49 7.410 9.718 9.057 1.00 0.00 H new ATOM 0 HA GLU A 49 8.050 7.950 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.158 7.975 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.109 6.529 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.564 7.463 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.325 9.097 7.494 1.00 0.00 H new ATOM 757 N LEU A 50 5.715 7.124 7.365 1.00 0.00 N ATOM 758 CA LEU A 50 4.592 6.232 7.661 1.00 0.00 C ATOM 759 C LEU A 50 5.178 4.855 7.959 1.00 0.00 C ATOM 760 O LEU A 50 6.247 4.519 7.454 1.00 0.00 O ATOM 761 CB LEU A 50 3.611 6.091 6.480 1.00 0.00 C ATOM 762 CG LEU A 50 3.064 7.408 5.901 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.340 7.161 4.572 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.099 8.060 6.889 1.00 0.00 C ATOM 0 H LEU A 50 5.744 7.454 6.400 1.00 0.00 H new ATOM 0 HA LEU A 50 4.034 6.649 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.111 5.545 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.768 5.481 6.804 1.00 0.00 H new ATOM 0 HG LEU A 50 3.909 8.074 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.962 8.106 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.035 6.725 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.507 6.476 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.720 8.991 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.266 7.384 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.621 8.271 7.822 1.00 0.00 H new ATOM 776 N SER A 51 4.432 4.015 8.666 1.00 0.00 N ATOM 777 CA SER A 51 4.841 2.650 8.970 1.00 0.00 C ATOM 778 C SER A 51 3.771 1.705 8.425 1.00 0.00 C ATOM 779 O SER A 51 2.579 2.024 8.509 1.00 0.00 O ATOM 780 CB SER A 51 5.052 2.519 10.484 1.00 0.00 C ATOM 781 OG SER A 51 6.067 1.584 10.785 1.00 0.00 O ATOM 0 H SER A 51 3.519 4.264 9.047 1.00 0.00 H new ATOM 0 HA SER A 51 5.788 2.388 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.315 3.491 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.120 2.211 10.957 1.00 0.00 H new ATOM 0 HG SER A 51 6.179 1.524 11.757 1.00 0.00 H new ATOM 787 N VAL A 52 4.174 0.559 7.876 1.00 0.00 N ATOM 788 CA VAL A 52 3.296 -0.418 7.247 1.00 0.00 C ATOM 789 C VAL A 52 3.387 -1.720 8.040 1.00 0.00 C ATOM 790 O VAL A 52 4.472 -2.061 8.519 1.00 0.00 O ATOM 791 CB VAL A 52 3.725 -0.553 5.768 1.00 0.00 C ATOM 792 CG1 VAL A 52 3.338 -1.890 5.127 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.173 0.615 4.943 1.00 0.00 C ATOM 0 H VAL A 52 5.155 0.279 7.858 1.00 0.00 H new ATOM 0 HA VAL A 52 2.248 -0.118 7.253 1.00 0.00 H new ATOM 0 HB VAL A 52 4.815 -0.525 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.674 -1.907 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.810 -2.706 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.255 -2.009 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.484 0.505 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.084 0.617 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.558 1.555 5.340 1.00 0.00 H new ATOM 803 N THR A 53 2.276 -2.449 8.169 1.00 0.00 N ATOM 804 CA THR A 53 2.213 -3.732 8.861 1.00 0.00 C ATOM 805 C THR A 53 1.441 -4.749 8.006 1.00 0.00 C ATOM 806 O THR A 53 0.518 -4.369 7.276 1.00 0.00 O ATOM 807 CB THR A 53 1.588 -3.515 10.252 1.00 0.00 C ATOM 808 OG1 THR A 53 0.336 -2.848 10.197 1.00 0.00 O ATOM 809 CG2 THR A 53 2.505 -2.699 11.172 1.00 0.00 C ATOM 0 H THR A 53 1.378 -2.155 7.786 1.00 0.00 H new ATOM 0 HA THR A 53 3.211 -4.145 9.008 1.00 0.00 H new ATOM 0 HB THR A 53 1.446 -4.519 10.651 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.388 -3.508 10.220 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.025 -2.570 12.142 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.451 -3.225 11.302 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.691 -1.722 10.726 1.00 0.00 H new ATOM 817 N PHE A 54 1.819 -6.031 8.073 1.00 0.00 N ATOM 818 CA PHE A 54 1.177 -7.115 7.329 1.00 0.00 C ATOM 819 C PHE A 54 0.082 -7.748 8.181 1.00 0.00 C ATOM 820 O PHE A 54 0.321 -8.052 9.352 1.00 0.00 O ATOM 821 CB PHE A 54 2.213 -8.184 6.954 1.00 0.00 C ATOM 822 CG PHE A 54 3.361 -7.681 6.100 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.124 -7.277 4.773 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.664 -7.610 6.628 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.180 -6.810 3.974 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.720 -7.134 5.832 1.00 0.00 C ATOM 827 CZ PHE A 54 5.478 -6.736 4.505 1.00 0.00 C ATOM 0 H PHE A 54 2.593 -6.347 8.657 1.00 0.00 H new ATOM 0 HA PHE A 54 0.739 -6.705 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.620 -8.613 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.708 -8.990 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.124 -7.326 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.852 -7.921 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.994 -6.508 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.718 -7.074 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.291 -6.373 3.894 1.00 0.00 H new ATOM 837 N PHE A 55 -1.104 -7.983 7.609 1.00 0.00 N ATOM 838 CA PHE A 55 -2.201 -8.591 8.343 1.00 0.00 C ATOM 839 C PHE A 55 -1.832 -9.948 8.958 1.00 0.00 C ATOM 840 O PHE A 55 -1.073 -10.698 8.337 1.00 0.00 O ATOM 841 CB PHE A 55 -3.456 -8.747 7.464 1.00 0.00 C ATOM 842 CG PHE A 55 -4.716 -8.148 8.053 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.782 -6.778 8.362 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.821 -8.978 8.324 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.956 -6.234 8.910 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.989 -8.436 8.882 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.061 -7.062 9.172 1.00 0.00 C ATOM 0 H PHE A 55 -1.321 -7.758 6.638 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.420 -7.904 9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.266 -8.282 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.625 -9.808 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.929 -6.142 8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.769 -10.034 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.009 -5.178 9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.834 -9.076 9.089 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.963 -6.644 9.595 1.00 0.00 H new ATOM 857 N PRO A 56 -2.513 -10.346 10.046 1.00 0.00 N ATOM 858 CA PRO A 56 -3.225 -9.469 10.966 1.00 0.00 C ATOM 859 C PRO A 56 -2.241 -8.714 11.879 1.00 0.00 C ATOM 860 O PRO A 56 -1.860 -9.182 12.950 1.00 0.00 O ATOM 861 CB PRO A 56 -4.169 -10.398 11.732 1.00 0.00 C ATOM 862 CG PRO A 56 -3.398 -11.717 11.786 1.00 0.00 C ATOM 863 CD PRO A 56 -2.656 -11.733 10.447 1.00 0.00 C ATOM 0 HA PRO A 56 -3.784 -8.682 10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.385 -10.017 12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.125 -10.511 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.709 -11.748 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.066 -12.572 11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.682 -12.211 10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.213 -12.299 9.700 1.00 0.00 H new ATOM 871 N ASP A 57 -1.873 -7.503 11.473 1.00 0.00 N ATOM 872 CA ASP A 57 -1.259 -6.452 12.261 1.00 0.00 C ATOM 873 C ASP A 57 -1.687 -5.168 11.566 1.00 0.00 C ATOM 874 O ASP A 57 -1.411 -4.968 10.380 1.00 0.00 O ATOM 875 CB ASP A 57 0.273 -6.544 12.306 1.00 0.00 C ATOM 876 CG ASP A 57 0.907 -5.342 13.014 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.185 -4.494 13.573 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.159 -5.281 13.061 1.00 0.00 O ATOM 0 H ASP A 57 -2.010 -7.213 10.505 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.573 -6.515 13.303 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.565 -7.460 12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.661 -6.610 11.289 1.00 0.00 H new ATOM 883 N LEU A 58 -2.425 -4.335 12.287 1.00 0.00 N ATOM 884 CA LEU A 58 -2.916 -3.041 11.870 1.00 0.00 C ATOM 885 C LEU A 58 -2.559 -2.005 12.946 1.00 0.00 C ATOM 886 O LEU A 58 -3.318 -1.075 13.213 1.00 0.00 O ATOM 887 CB LEU A 58 -4.407 -3.139 11.492 1.00 0.00 C ATOM 888 CG LEU A 58 -5.352 -3.807 12.519 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.795 -3.435 12.168 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.288 -5.349 12.527 1.00 0.00 C ATOM 0 H LEU A 58 -2.712 -4.566 13.238 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.431 -2.693 10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.774 -2.131 11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.483 -3.690 10.554 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.032 -3.449 13.498 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.474 -3.899 12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.911 -2.352 12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.028 -3.789 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.980 -5.738 13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.564 -5.730 11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.275 -5.670 12.769 1.00 0.00 H new ATOM 902 N ASN A 59 -1.392 -2.166 13.581 1.00 0.00 N ATOM 903 CA ASN A 59 -0.800 -1.150 14.447 1.00 0.00 C ATOM 904 C ASN A 59 -0.236 -0.004 13.622 1.00 0.00 C ATOM 905 O ASN A 59 -0.204 1.118 14.121 1.00 0.00 O ATOM 906 CB ASN A 59 0.352 -1.710 15.298 1.00 0.00 C ATOM 907 CG ASN A 59 -0.143 -2.579 16.436 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.173 -2.158 17.591 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.554 -3.789 16.126 1.00 0.00 N ATOM 0 H ASN A 59 -0.830 -3.014 13.505 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.602 -0.806 15.100 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.020 -2.292 14.663 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.937 -0.884 15.703 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.911 -4.408 16.854 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.516 -4.108 15.158 1.00 0.00 H new ATOM 916 N GLY A 60 0.230 -0.285 12.398 1.00 0.00 N ATOM 917 CA GLY A 60 0.916 0.653 11.507 1.00 0.00 C ATOM 918 C GLY A 60 0.135 1.938 11.229 1.00 0.00 C ATOM 919 O GLY A 60 -1.007 2.106 11.664 1.00 0.00 O ATOM 0 H GLY A 60 0.134 -1.213 11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.879 0.914 11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.121 0.154 10.560 1.00 0.00 H new ATOM 923 N ASP A 61 0.714 2.844 10.443 1.00 0.00 N ATOM 924 CA ASP A 61 -0.071 3.925 9.845 1.00 0.00 C ATOM 925 C ASP A 61 -0.956 3.347 8.735 1.00 0.00 C ATOM 926 O ASP A 61 -2.138 3.672 8.612 1.00 0.00 O ATOM 927 CB ASP A 61 0.823 5.044 9.278 1.00 0.00 C ATOM 928 CG ASP A 61 0.105 6.383 9.439 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.886 6.615 8.725 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.480 7.173 10.337 1.00 0.00 O ATOM 0 H ASP A 61 1.706 2.854 10.208 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.687 4.370 10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.779 5.064 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.039 4.857 8.226 1.00 0.00 H new ATOM 935 N VAL A 62 -0.394 2.425 7.954 1.00 0.00 N ATOM 936 CA VAL A 62 -1.004 1.824 6.775 1.00 0.00 C ATOM 937 C VAL A 62 -0.902 0.301 6.940 1.00 0.00 C ATOM 938 O VAL A 62 -0.053 -0.196 7.682 1.00 0.00 O ATOM 939 CB VAL A 62 -0.292 2.389 5.524 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.748 1.733 4.207 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.459 3.921 5.454 1.00 0.00 C ATOM 0 H VAL A 62 0.542 2.062 8.137 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.061 2.063 6.655 1.00 0.00 H new ATOM 0 HB VAL A 62 0.764 2.143 5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.207 2.178 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.542 0.663 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.818 1.893 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.048 4.302 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.519 4.169 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.024 4.375 6.344 1.00 0.00 H new ATOM 951 N VAL A 63 -1.771 -0.457 6.271 1.00 0.00 N ATOM 952 CA VAL A 63 -1.908 -1.898 6.475 1.00 0.00 C ATOM 953 C VAL A 63 -1.692 -2.603 5.129 1.00 0.00 C ATOM 954 O VAL A 63 -1.833 -1.989 4.067 1.00 0.00 O ATOM 955 CB VAL A 63 -3.299 -2.163 7.099 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.486 -3.626 7.513 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.559 -1.300 8.353 1.00 0.00 C ATOM 0 H VAL A 63 -2.406 -0.083 5.565 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.162 -2.296 7.163 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.005 -1.902 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.478 -3.758 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.383 -4.268 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.730 -3.895 8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.548 -1.525 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.805 -1.520 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.507 -0.245 8.085 1.00 0.00 H new ATOM 967 N ALA A 64 -1.324 -3.883 5.136 1.00 0.00 N ATOM 968 CA ALA A 64 -1.168 -4.719 3.954 1.00 0.00 C ATOM 969 C ALA A 64 -2.013 -5.971 4.159 1.00 0.00 C ATOM 970 O ALA A 64 -1.864 -6.646 5.176 1.00 0.00 O ATOM 971 CB ALA A 64 0.314 -5.038 3.727 1.00 0.00 C ATOM 0 H ALA A 64 -1.119 -4.383 6.001 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.512 -4.206 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.420 -5.664 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.868 -4.110 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.709 -5.567 4.594 1.00 0.00 H new ATOM 977 N ILE A 65 -2.912 -6.252 3.218 1.00 0.00 N ATOM 978 CA ILE A 65 -3.748 -7.444 3.182 1.00 0.00 C ATOM 979 C ILE A 65 -3.034 -8.453 2.267 1.00 0.00 C ATOM 980 O ILE A 65 -2.277 -8.059 1.372 1.00 0.00 O ATOM 981 CB ILE A 65 -5.169 -7.049 2.703 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.867 -6.083 3.694 1.00 0.00 C ATOM 983 CG2 ILE A 65 -6.084 -8.255 2.434 1.00 0.00 C ATOM 984 CD1 ILE A 65 -6.292 -6.702 5.033 1.00 0.00 C ATOM 0 H ILE A 65 -3.083 -5.628 2.429 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.884 -7.908 4.159 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.010 -6.538 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.194 -5.250 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.751 -5.669 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.061 -7.904 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.642 -8.882 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.199 -8.836 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.770 -5.941 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.995 -7.515 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.414 -7.090 5.550 1.00 0.00 H new ATOM 996 N ASP A 66 -3.249 -9.756 2.469 1.00 0.00 N ATOM 997 CA ASP A 66 -2.679 -10.752 1.566 1.00 0.00 C ATOM 998 C ASP A 66 -3.386 -10.673 0.212 1.00 0.00 C ATOM 999 O ASP A 66 -4.618 -10.619 0.134 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.748 -12.173 2.133 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.817 -13.089 1.330 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.066 -13.329 0.128 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -0.800 -13.559 1.888 1.00 0.00 O ATOM 0 H ASP A 66 -3.803 -10.138 3.235 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.620 -10.523 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.457 -12.171 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.771 -12.545 2.086 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.594 -10.731 -0.855 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.985 -10.801 -2.256 1.00 0.00 C ATOM 1010 C TYR A 67 -4.105 -11.808 -2.540 1.00 0.00 C ATOM 1011 O TYR A 67 -4.801 -11.659 -3.534 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.712 -11.140 -3.063 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.910 -11.914 -4.356 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.145 -13.305 -4.317 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -1.897 -11.245 -5.591 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.442 -14.008 -5.495 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.172 -11.946 -6.778 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.456 -13.328 -6.729 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.697 -14.018 -7.869 1.00 0.00 O ATOM 0 H TYR A 67 -1.579 -10.730 -0.751 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.405 -9.839 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.201 -10.207 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.045 -11.715 -2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.096 -13.832 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.675 -10.189 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.659 -15.065 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.166 -11.428 -7.726 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.674 -13.405 -8.633 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.338 -12.832 -1.721 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.421 -13.785 -1.965 1.00 0.00 C ATOM 1031 C ARG A 68 -6.785 -13.100 -1.990 1.00 0.00 C ATOM 1032 O ARG A 68 -7.706 -13.571 -2.650 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.391 -14.828 -0.857 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.012 -15.469 -0.696 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.052 -16.998 -0.725 1.00 0.00 C ATOM 1036 NE ARG A 68 -2.718 -17.620 -0.675 1.00 0.00 N ATOM 1037 CZ ARG A 68 -1.757 -17.577 -1.603 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -1.970 -17.003 -2.784 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -0.567 -18.096 -1.322 1.00 0.00 N ATOM 0 H ARG A 68 -3.791 -13.024 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.272 -14.246 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.684 -14.363 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.126 -15.604 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.358 -15.114 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.574 -15.141 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.643 -17.354 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.563 -17.323 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.501 -18.148 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.878 -16.587 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.226 -16.979 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.398 -18.519 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.177 -18.072 -2.019 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.922 -12.003 -1.247 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.122 -11.161 -1.276 1.00 0.00 C ATOM 1055 C HIS A 69 -8.170 -10.179 -2.466 1.00 0.00 C ATOM 1056 O HIS A 69 -9.168 -9.471 -2.610 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.307 -10.450 0.079 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.054 -11.295 1.084 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -8.661 -12.518 1.587 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -10.297 -11.019 1.594 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -9.655 -12.976 2.366 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.680 -12.103 2.391 1.00 0.00 N ATOM 0 H HIS A 69 -6.203 -11.670 -0.605 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.970 -11.826 -1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.329 -10.190 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.846 -9.516 -0.076 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -7.776 -12.989 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.876 -10.125 1.413 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.635 -13.915 2.899 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.148 -10.111 -3.326 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.102 -9.242 -4.502 1.00 0.00 C ATOM 1072 C TYR A 70 -8.021 -9.808 -5.581 1.00 0.00 C ATOM 1073 O TYR A 70 -7.619 -10.669 -6.368 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.656 -9.120 -5.009 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.375 -8.334 -6.278 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.238 -7.338 -6.785 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.202 -8.664 -6.981 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.915 -6.682 -7.990 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -3.877 -8.030 -8.186 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.736 -7.037 -8.696 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.432 -6.466 -9.892 1.00 0.00 O ATOM 0 H TYR A 70 -6.306 -10.677 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.449 -8.243 -4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.066 -8.672 -4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.276 -10.130 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.141 -7.080 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.541 -9.420 -6.584 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.564 -5.910 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.977 -8.299 -8.719 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.586 -6.833 -10.224 1.00 0.00 H new ATOM 1091 N SER A 71 -9.260 -9.335 -5.613 1.00 0.00 N ATOM 1092 CA SER A 71 -10.229 -9.593 -6.666 1.00 0.00 C ATOM 1093 C SER A 71 -10.381 -8.376 -7.590 1.00 0.00 C ATOM 1094 O SER A 71 -10.020 -7.252 -7.230 1.00 0.00 O ATOM 1095 CB SER A 71 -11.551 -9.992 -5.995 1.00 0.00 C ATOM 1096 OG SER A 71 -11.355 -11.169 -5.217 1.00 0.00 O ATOM 0 H SER A 71 -9.631 -8.737 -4.875 1.00 0.00 H new ATOM 0 HA SER A 71 -9.892 -10.407 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.909 -9.180 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.316 -10.167 -6.751 1.00 0.00 H new ATOM 0 HG SER A 71 -12.199 -11.422 -4.788 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.949 -8.590 -8.779 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.198 -7.561 -9.791 1.00 0.00 C ATOM 1104 C ALA A 72 -12.186 -6.481 -9.343 1.00 0.00 C ATOM 1105 O ALA A 72 -12.249 -5.435 -9.987 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.723 -8.246 -11.047 1.00 0.00 C ATOM 0 H ALA A 72 -11.259 -9.516 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.254 -7.047 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.916 -7.498 -11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.981 -8.957 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.648 -8.774 -10.814 1.00 0.00 H new ATOM 1112 N SER A 73 -12.900 -6.694 -8.239 1.00 0.00 N ATOM 1113 CA SER A 73 -13.661 -5.686 -7.513 1.00 0.00 C ATOM 1114 C SER A 73 -12.785 -4.478 -7.163 1.00 0.00 C ATOM 1115 O SER A 73 -13.266 -3.346 -7.127 1.00 0.00 O ATOM 1116 CB SER A 73 -14.164 -6.325 -6.210 1.00 0.00 C ATOM 1117 OG SER A 73 -14.448 -7.704 -6.386 1.00 0.00 O ATOM 0 H SER A 73 -12.965 -7.617 -7.809 1.00 0.00 H new ATOM 0 HA SER A 73 -14.486 -5.342 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.413 -6.203 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.062 -5.807 -5.872 1.00 0.00 H new ATOM 0 HG SER A 73 -14.764 -8.083 -5.540 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.502 -4.740 -6.890 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.503 -3.800 -6.411 1.00 0.00 C ATOM 1125 C PHE A 74 -9.527 -3.433 -7.537 1.00 0.00 C ATOM 1126 O PHE A 74 -8.343 -3.210 -7.282 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.776 -4.394 -5.195 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.650 -5.118 -4.175 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.488 -4.436 -3.272 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.602 -6.517 -4.123 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.215 -5.143 -2.293 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.376 -7.231 -3.200 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.156 -6.546 -2.260 1.00 0.00 C ATOM 0 H PHE A 74 -11.117 -5.677 -7.008 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.992 -2.878 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.020 -5.092 -5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.249 -3.588 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.575 -3.361 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.958 -7.053 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.815 -4.608 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.371 -8.311 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.710 -7.094 -1.513 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.958 -3.458 -8.803 1.00 0.00 N ATOM 1144 CA LYS A 75 -9.109 -3.284 -9.974 1.00 0.00 C ATOM 1145 C LYS A 75 -8.348 -1.954 -9.925 1.00 0.00 C ATOM 1146 O LYS A 75 -7.203 -1.924 -10.381 1.00 0.00 O ATOM 1147 CB LYS A 75 -10.015 -3.473 -11.214 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.886 -2.455 -12.356 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.952 -2.830 -13.505 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.669 -3.549 -13.084 1.00 0.00 C ATOM 1151 NZ LYS A 75 -7.809 -5.004 -13.294 1.00 0.00 N ATOM 0 H LYS A 75 -10.939 -3.605 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.312 -4.026 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.819 -4.464 -11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.051 -3.468 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.879 -2.278 -12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.544 -1.510 -11.933 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.496 -3.467 -14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.682 -1.923 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.825 -3.170 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.456 -3.344 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.372 -5.513 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.818 -5.251 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.336 -5.274 -14.180 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.950 -0.880 -9.417 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.355 0.452 -9.331 1.00 0.00 C ATOM 1167 C LYS A 76 -8.045 0.840 -7.874 1.00 0.00 C ATOM 1168 O LYS A 76 -7.734 2.003 -7.623 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.243 1.478 -10.046 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.292 1.337 -11.570 1.00 0.00 C ATOM 1171 CD LYS A 76 -9.819 2.642 -12.166 1.00 0.00 C ATOM 1172 CE LYS A 76 -9.751 2.637 -13.698 1.00 0.00 C ATOM 1173 NZ LYS A 76 -10.314 3.883 -14.260 1.00 0.00 N ATOM 0 H LYS A 76 -9.898 -0.915 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.395 0.440 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.257 1.394 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.888 2.479 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.299 1.117 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.937 0.505 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.850 2.796 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.238 3.479 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.715 2.525 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.299 1.779 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.255 3.853 -15.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.309 3.975 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.774 4.698 -13.906 1.00 0.00 H new ATOM 1187 N GLY A 77 -8.135 -0.087 -6.916 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.658 0.064 -5.544 1.00 0.00 C ATOM 1189 C GLY A 77 -8.715 -0.217 -4.480 1.00 0.00 C ATOM 1190 O GLY A 77 -9.900 -0.371 -4.786 1.00 0.00 O ATOM 0 H GLY A 77 -8.560 -0.999 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.814 -0.608 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.285 1.080 -5.411 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.292 -0.344 -3.216 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.147 -0.666 -2.079 1.00 0.00 C ATOM 1196 C ALA A 78 -8.568 -0.071 -0.795 1.00 0.00 C ATOM 1197 O ALA A 78 -7.411 0.352 -0.773 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.227 -2.183 -1.919 1.00 0.00 C ATOM 0 H ALA A 78 -7.314 -0.221 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.138 -0.250 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.866 -2.426 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.645 -2.623 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.228 -2.584 -1.748 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.353 -0.084 0.280 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.045 0.371 1.633 1.00 0.00 C ATOM 1206 C LYS A 79 -9.745 -0.599 2.602 1.00 0.00 C ATOM 1207 O LYS A 79 -10.460 -1.496 2.159 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.530 1.833 1.800 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.039 1.909 1.501 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.818 3.180 1.829 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.246 2.777 2.251 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.331 2.488 3.709 1.00 0.00 N ATOM 0 H LYS A 79 -10.305 -0.445 0.221 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.975 0.369 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.331 2.180 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.981 2.489 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.169 1.715 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.517 1.088 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.326 3.731 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.850 3.840 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.940 3.579 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.557 1.897 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.226 1.999 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.533 1.883 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.293 3.380 4.242 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.571 -0.400 3.902 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.202 -1.120 5.000 1.00 0.00 C ATOM 1228 C LEU A 80 -11.091 -0.098 5.729 1.00 0.00 C ATOM 1229 O LEU A 80 -11.258 1.030 5.242 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.085 -1.714 5.902 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.197 -3.206 6.247 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -7.969 -3.653 7.050 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.440 -3.496 7.066 1.00 0.00 C ATOM 0 H LEU A 80 -8.937 0.324 4.242 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.821 -1.957 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.127 -1.550 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.065 -1.150 6.834 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.257 -3.754 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.057 -4.713 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.068 -3.489 6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.908 -3.076 7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.487 -4.561 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.403 -2.929 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.325 -3.206 6.499 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.602 -0.479 6.905 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.482 0.257 7.821 1.00 0.00 C ATOM 1247 C LEU A 81 -12.380 1.771 7.692 1.00 0.00 C ATOM 1248 O LEU A 81 -13.283 2.432 7.172 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.243 -0.230 9.269 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.489 -0.100 10.176 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -13.303 -0.955 11.430 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.783 1.336 10.621 1.00 0.00 C ATOM 0 H LEU A 81 -11.388 -1.404 7.277 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.510 0.034 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.927 -1.273 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.424 0.341 9.706 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.333 -0.438 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.182 -0.862 12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.172 -1.998 11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.422 -0.615 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.671 1.346 11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.933 1.724 11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.955 1.961 9.744 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.261 2.317 8.164 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.945 3.735 8.086 1.00 0.00 C ATOM 1266 C HIS A 82 -9.486 3.961 7.702 1.00 0.00 C ATOM 1267 O HIS A 82 -8.999 5.085 7.794 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.335 4.431 9.394 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.452 4.115 10.575 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.669 5.026 11.246 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.317 2.909 11.210 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.060 4.389 12.256 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.455 3.103 12.296 1.00 0.00 N ATOM 0 H HIS A 82 -10.533 1.769 8.622 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.534 4.188 7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.325 5.509 9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.360 4.156 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.788 1.980 10.925 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.355 4.842 12.938 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.179 2.404 12.985 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.790 2.899 7.283 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.368 2.899 6.991 1.00 0.00 C ATOM 1283 C LYS A 83 -7.102 2.318 5.602 1.00 0.00 C ATOM 1284 O LYS A 83 -7.906 1.507 5.127 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.672 2.063 8.068 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.642 2.805 9.404 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.558 2.202 10.293 1.00 0.00 C ATOM 1288 CE LYS A 83 -6.062 1.010 11.110 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.187 0.761 12.273 1.00 0.00 N ATOM 0 H LYS A 83 -9.224 1.988 7.135 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.982 3.918 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.192 1.112 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.654 1.832 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.446 3.865 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.613 2.733 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.720 1.884 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.181 2.968 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.080 1.201 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.098 0.121 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.634 -0.105 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.541 1.566 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.769 0.647 13.127 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.975 2.659 4.964 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.617 2.177 3.633 1.00 0.00 C ATOM 1305 C PRO A 84 -5.051 0.753 3.679 1.00 0.00 C ATOM 1306 O PRO A 84 -4.542 0.317 4.717 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.579 3.188 3.149 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.872 3.601 4.437 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.961 3.562 5.490 1.00 0.00 C ATOM 0 HA PRO A 84 -6.476 2.110 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.887 2.744 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.046 4.040 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.058 2.918 4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.437 4.597 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.573 3.204 6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.373 4.556 5.666 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.109 0.040 2.549 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.602 -1.329 2.399 1.00 0.00 C ATOM 1319 C ILE A 85 -3.787 -1.443 1.116 1.00 0.00 C ATOM 1320 O ILE A 85 -4.033 -0.719 0.142 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.732 -2.393 2.426 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.555 -2.492 1.116 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.653 -2.173 3.597 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.147 -3.706 0.269 1.00 0.00 C ATOM 0 H ILE A 85 -5.520 0.408 1.691 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.962 -1.534 3.257 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.217 -3.348 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.615 -2.560 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.419 -1.581 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.435 -2.932 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.085 -2.243 4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.106 -1.184 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.750 -3.735 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.093 -3.626 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.308 -4.620 0.841 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.916 -2.444 1.063 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.240 -2.899 -0.145 1.00 0.00 C ATOM 1338 C VAL A 86 -2.333 -4.418 -0.222 1.00 0.00 C ATOM 1339 O VAL A 86 -2.946 -5.041 0.645 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.785 -2.403 -0.194 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.724 -0.888 -0.024 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.117 -3.087 0.832 1.00 0.00 C ATOM 0 H VAL A 86 -2.652 -2.980 1.890 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.733 -2.475 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.403 -2.672 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.315 -0.559 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.286 -0.409 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.157 -0.612 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.130 -2.693 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.263 -2.895 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.129 -4.161 0.647 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.701 -4.996 -1.238 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.568 -6.424 -1.428 1.00 0.00 C ATOM 1354 C TRP A 87 -0.102 -6.768 -1.205 1.00 0.00 C ATOM 1355 O TRP A 87 0.755 -6.171 -1.866 1.00 0.00 O ATOM 1356 CB TRP A 87 -2.019 -6.772 -2.846 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.344 -6.181 -3.211 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.532 -5.147 -4.056 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.656 -6.492 -2.664 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.877 -4.853 -4.133 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.620 -5.658 -3.301 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -5.125 -7.395 -1.692 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.992 -5.747 -3.030 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.493 -7.480 -1.397 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.431 -6.669 -2.066 1.00 0.00 C ATOM 0 H TRP A 87 -1.252 -4.455 -1.977 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.184 -6.994 -0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.267 -6.424 -3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.073 -7.856 -2.946 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.749 -4.629 -4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.272 -4.128 -4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.425 -8.029 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.698 -5.119 -3.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.833 -8.178 -0.646 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.483 -6.756 -1.838 1.00 0.00 H new ATOM 1376 N HIS A 88 0.182 -7.708 -0.303 1.00 0.00 N ATOM 1377 CA HIS A 88 1.504 -8.307 -0.160 1.00 0.00 C ATOM 1378 C HIS A 88 1.455 -9.764 -0.615 1.00 0.00 C ATOM 1379 O HIS A 88 0.395 -10.400 -0.649 1.00 0.00 O ATOM 1380 CB HIS A 88 2.025 -8.169 1.280 1.00 0.00 C ATOM 1381 CG HIS A 88 1.326 -9.035 2.308 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.725 -10.286 2.729 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.246 -8.682 3.073 1.00 0.00 C ATOM 1384 CE1 HIS A 88 0.934 -10.652 3.750 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.003 -9.714 3.984 1.00 0.00 N ATOM 0 H HIS A 88 -0.507 -8.076 0.353 1.00 0.00 H new ATOM 0 HA HIS A 88 2.210 -7.773 -0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.088 -8.410 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.932 -7.126 1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.319 -7.766 2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.033 -11.573 4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.735 -9.748 4.687 1.00 0.00 H new ATOM 1393 N ILE A 89 2.628 -10.306 -0.930 1.00 0.00 N ATOM 1394 CA ILE A 89 2.866 -11.724 -1.145 1.00 0.00 C ATOM 1395 C ILE A 89 4.154 -11.986 -0.377 1.00 0.00 C ATOM 1396 O ILE A 89 5.136 -11.305 -0.639 1.00 0.00 O ATOM 1397 CB ILE A 89 3.030 -12.044 -2.654 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.759 -11.742 -3.476 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.382 -13.529 -2.839 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.955 -11.863 -4.991 1.00 0.00 C ATOM 0 H ILE A 89 3.471 -9.744 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 89 2.039 -12.350 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 89 3.830 -11.400 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.967 -12.424 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.419 -10.733 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.496 -13.746 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.316 -13.749 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.584 -14.146 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.017 -11.636 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.723 -11.161 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.264 -12.879 -5.238 1.00 0.00 H new ATOM 1412 N ASN A 90 4.173 -12.946 0.552 1.00 0.00 N ATOM 1413 CA ASN A 90 5.364 -13.384 1.288 1.00 0.00 C ATOM 1414 C ASN A 90 6.165 -12.209 1.879 1.00 0.00 C ATOM 1415 O ASN A 90 7.399 -12.202 1.857 1.00 0.00 O ATOM 1416 CB ASN A 90 6.184 -14.405 0.462 1.00 0.00 C ATOM 1417 CG ASN A 90 6.800 -13.901 -0.843 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.421 -14.326 -1.932 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.758 -13.004 -0.785 1.00 0.00 N ATOM 0 H ASN A 90 3.332 -13.457 0.822 1.00 0.00 H new ATOM 0 HA ASN A 90 5.041 -13.931 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.988 -14.784 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.537 -15.250 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.187 -12.660 -1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.072 -12.651 0.119 1.00 0.00 H new ATOM 1426 N GLN A 91 5.447 -11.219 2.433 1.00 0.00 N ATOM 1427 CA GLN A 91 5.952 -9.955 2.987 1.00 0.00 C ATOM 1428 C GLN A 91 6.734 -9.101 1.975 1.00 0.00 C ATOM 1429 O GLN A 91 7.534 -8.260 2.377 1.00 0.00 O ATOM 1430 CB GLN A 91 6.790 -10.202 4.254 1.00 0.00 C ATOM 1431 CG GLN A 91 6.062 -10.988 5.348 1.00 0.00 C ATOM 1432 CD GLN A 91 6.959 -11.198 6.562 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.586 -10.864 7.680 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.143 -11.765 6.380 1.00 0.00 N ATOM 0 H GLN A 91 4.432 -11.286 2.510 1.00 0.00 H new ATOM 0 HA GLN A 91 5.068 -9.375 3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.696 -10.742 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.104 -9.241 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.161 -10.452 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.744 -11.954 4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.439 -12.038 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.758 -11.929 7.177 1.00 0.00 H new ATOM 1443 N ALA A 92 6.553 -9.319 0.675 1.00 0.00 N ATOM 1444 CA ALA A 92 7.304 -8.701 -0.401 1.00 0.00 C ATOM 1445 C ALA A 92 6.340 -8.098 -1.414 1.00 0.00 C ATOM 1446 O ALA A 92 5.120 -8.283 -1.334 1.00 0.00 O ATOM 1447 CB ALA A 92 8.178 -9.759 -1.088 1.00 0.00 C ATOM 0 H ALA A 92 5.842 -9.965 0.332 1.00 0.00 H new ATOM 0 HA ALA A 92 7.940 -7.914 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.743 -9.295 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.869 -10.187 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.544 -10.547 -1.494 1.00 0.00 H new ATOM 1453 N THR A 93 6.925 -7.407 -2.389 1.00 0.00 N ATOM 1454 CA THR A 93 6.264 -7.004 -3.610 1.00 0.00 C ATOM 1455 C THR A 93 6.969 -7.702 -4.781 1.00 0.00 C ATOM 1456 O THR A 93 7.977 -8.395 -4.601 1.00 0.00 O ATOM 1457 CB THR A 93 6.136 -5.467 -3.681 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.296 -5.136 -4.773 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.472 -4.700 -3.720 1.00 0.00 C ATOM 0 H THR A 93 7.899 -7.108 -2.342 1.00 0.00 H new ATOM 0 HA THR A 93 5.225 -7.330 -3.654 1.00 0.00 H new ATOM 0 HB THR A 93 5.690 -5.137 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.595 -5.815 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.275 -3.629 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.046 -4.923 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.041 -5.005 -4.598 1.00 0.00 H new ATOM 1467 N THR A 94 6.373 -7.618 -5.962 1.00 0.00 N ATOM 1468 CA THR A 94 6.650 -8.361 -7.185 1.00 0.00 C ATOM 1469 C THR A 94 5.716 -7.741 -8.240 1.00 0.00 C ATOM 1470 O THR A 94 4.762 -7.054 -7.872 1.00 0.00 O ATOM 1471 CB THR A 94 6.458 -9.887 -6.968 1.00 0.00 C ATOM 1472 OG1 THR A 94 6.170 -10.564 -8.177 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.385 -10.254 -5.938 1.00 0.00 C ATOM 0 H THR A 94 5.605 -6.961 -6.102 1.00 0.00 H new ATOM 0 HA THR A 94 7.686 -8.282 -7.515 1.00 0.00 H new ATOM 0 HB THR A 94 7.420 -10.213 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.058 -11.521 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.320 -11.339 -5.851 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.649 -9.828 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.422 -9.857 -6.259 1.00 0.00 H new ATOM 1481 N LYS A 95 5.916 -8.001 -9.540 1.00 0.00 N ATOM 1482 CA LYS A 95 5.124 -7.415 -10.631 1.00 0.00 C ATOM 1483 C LYS A 95 3.621 -7.535 -10.376 1.00 0.00 C ATOM 1484 O LYS A 95 2.879 -6.579 -10.607 1.00 0.00 O ATOM 1485 CB LYS A 95 5.520 -8.074 -11.957 1.00 0.00 C ATOM 1486 CG LYS A 95 4.894 -7.358 -13.168 1.00 0.00 C ATOM 1487 CD LYS A 95 5.373 -7.974 -14.488 1.00 0.00 C ATOM 1488 CE LYS A 95 4.701 -9.332 -14.709 1.00 0.00 C ATOM 1489 NZ LYS A 95 5.332 -10.101 -15.795 1.00 0.00 N ATOM 0 H LYS A 95 6.645 -8.635 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 95 5.342 -6.348 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.606 -8.069 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.206 -9.118 -11.951 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.807 -7.420 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.155 -6.300 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.140 -7.305 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.456 -8.094 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.744 -9.910 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.647 -9.179 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.842 -11.012 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.269 -9.564 -16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.332 -10.272 -15.564 1.00 0.00 H new ATOM 1503 N THR A 96 3.205 -8.685 -9.844 1.00 0.00 N ATOM 1504 CA THR A 96 1.857 -8.987 -9.412 1.00 0.00 C ATOM 1505 C THR A 96 1.288 -7.850 -8.554 1.00 0.00 C ATOM 1506 O THR A 96 0.259 -7.281 -8.922 1.00 0.00 O ATOM 1507 CB THR A 96 1.900 -10.341 -8.680 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.532 -11.332 -9.480 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.505 -10.832 -8.316 1.00 0.00 C ATOM 0 H THR A 96 3.842 -9.468 -9.699 1.00 0.00 H new ATOM 0 HA THR A 96 1.179 -9.068 -10.261 1.00 0.00 H new ATOM 0 HB THR A 96 2.471 -10.181 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.549 -12.183 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.579 -11.790 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.023 -10.105 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.087 -10.953 -9.224 1.00 0.00 H new ATOM 1517 N THR A 97 1.938 -7.520 -7.436 1.00 0.00 N ATOM 1518 CA THR A 97 1.462 -6.562 -6.446 1.00 0.00 C ATOM 1519 C THR A 97 1.929 -5.140 -6.726 1.00 0.00 C ATOM 1520 O THR A 97 1.351 -4.214 -6.169 1.00 0.00 O ATOM 1521 CB THR A 97 1.960 -6.992 -5.056 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.344 -7.282 -5.115 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.238 -8.248 -4.567 1.00 0.00 C ATOM 0 H THR A 97 2.840 -7.928 -7.190 1.00 0.00 H new ATOM 0 HA THR A 97 0.373 -6.559 -6.492 1.00 0.00 H new ATOM 0 HB THR A 97 1.760 -6.171 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.513 -8.156 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.614 -8.524 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.168 -8.051 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.416 -9.065 -5.266 1.00 0.00 H new ATOM 1531 N PHE A 98 2.924 -4.955 -7.586 1.00 0.00 N ATOM 1532 CA PHE A 98 3.543 -3.680 -7.905 1.00 0.00 C ATOM 1533 C PHE A 98 2.481 -2.751 -8.478 1.00 0.00 C ATOM 1534 O PHE A 98 2.175 -1.723 -7.882 1.00 0.00 O ATOM 1535 CB PHE A 98 4.740 -3.923 -8.844 1.00 0.00 C ATOM 1536 CG PHE A 98 4.916 -2.948 -9.989 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.413 -1.657 -9.754 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.560 -3.331 -11.297 1.00 0.00 C ATOM 1539 CE1 PHE A 98 5.559 -0.752 -10.817 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.725 -2.432 -12.361 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.224 -1.142 -12.123 1.00 0.00 C ATOM 0 H PHE A 98 3.339 -5.730 -8.103 1.00 0.00 H new ATOM 0 HA PHE A 98 3.944 -3.188 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.650 -3.911 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.646 -4.925 -9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.684 -1.359 -8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.160 -4.317 -11.481 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.929 0.245 -10.630 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.467 -2.733 -13.366 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.350 -0.451 -12.943 1.00 0.00 H new ATOM 1551 N LYS A 99 1.868 -3.135 -9.601 1.00 0.00 N ATOM 1552 CA LYS A 99 0.872 -2.298 -10.260 1.00 0.00 C ATOM 1553 C LYS A 99 -0.287 -1.961 -9.325 1.00 0.00 C ATOM 1554 O LYS A 99 -0.613 -0.781 -9.230 1.00 0.00 O ATOM 1555 CB LYS A 99 0.349 -2.950 -11.538 1.00 0.00 C ATOM 1556 CG LYS A 99 1.282 -2.664 -12.726 1.00 0.00 C ATOM 1557 CD LYS A 99 0.495 -2.431 -14.020 1.00 0.00 C ATOM 1558 CE LYS A 99 1.443 -2.170 -15.192 1.00 0.00 C ATOM 1559 NZ LYS A 99 2.255 -3.351 -15.544 1.00 0.00 N ATOM 0 H LYS A 99 2.047 -4.023 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 99 1.371 -1.368 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.261 -4.027 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.651 -2.576 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.891 -1.787 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.966 -3.502 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.126 -3.301 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.178 -1.582 -13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.862 -1.862 -16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.105 -1.341 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.751 -3.176 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.951 -3.530 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.636 -4.180 -15.647 1.00 0.00 H new ATOM 1573 N PRO A 100 -0.930 -2.918 -8.631 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.024 -2.552 -7.752 1.00 0.00 C ATOM 1575 C PRO A 100 -1.542 -1.790 -6.509 1.00 0.00 C ATOM 1576 O PRO A 100 -2.350 -1.120 -5.870 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.751 -3.860 -7.441 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.645 -4.901 -7.525 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.777 -4.370 -8.669 1.00 0.00 C ATOM 0 HA PRO A 100 -2.708 -1.845 -8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.211 -3.840 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.547 -4.059 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.086 -4.975 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.038 -5.894 -7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.266 -4.659 -8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.101 -4.774 -9.628 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.251 -1.810 -6.159 1.00 0.00 N ATOM 1588 CA ASN A 101 0.256 -0.938 -5.115 1.00 0.00 C ATOM 1589 C ASN A 101 0.306 0.510 -5.598 1.00 0.00 C ATOM 1590 O ASN A 101 0.068 1.396 -4.782 1.00 0.00 O ATOM 1591 CB ASN A 101 1.631 -1.404 -4.628 1.00 0.00 C ATOM 1592 CG ASN A 101 1.522 -2.201 -3.339 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.568 -1.632 -2.261 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.344 -3.509 -3.423 1.00 0.00 N ATOM 0 H ASN A 101 0.449 -2.418 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.430 -0.989 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.103 -2.016 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.275 -0.539 -4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.242 -4.065 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.309 -3.961 -4.337 1.00 0.00 H new ATOM 1601 N THR A 102 0.542 0.787 -6.892 1.00 0.00 N ATOM 1602 CA THR A 102 0.606 2.170 -7.377 1.00 0.00 C ATOM 1603 C THR A 102 -0.676 2.935 -7.021 1.00 0.00 C ATOM 1604 O THR A 102 -0.620 4.058 -6.534 1.00 0.00 O ATOM 1605 CB THR A 102 0.973 2.291 -8.874 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.124 2.138 -9.753 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.079 1.381 -9.392 1.00 0.00 C ATOM 0 H THR A 102 0.690 0.079 -7.611 1.00 0.00 H new ATOM 0 HA THR A 102 1.436 2.643 -6.852 1.00 0.00 H new ATOM 0 HB THR A 102 1.348 3.315 -8.883 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.460 1.219 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.236 1.568 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.002 1.584 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.792 0.340 -9.245 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.840 2.312 -7.187 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.137 2.903 -6.876 1.00 0.00 C ATOM 1617 C TRP A 103 -3.306 3.221 -5.383 1.00 0.00 C ATOM 1618 O TRP A 103 -3.978 4.198 -5.046 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.227 1.944 -7.354 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.309 1.748 -8.837 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.638 0.823 -9.559 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.122 2.484 -9.796 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.000 0.916 -10.887 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -4.957 1.886 -11.080 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.994 3.588 -9.706 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.669 2.320 -12.205 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.672 4.069 -10.839 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.523 3.429 -12.082 1.00 0.00 C ATOM 0 H TRP A 103 -1.908 1.361 -7.550 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.213 3.860 -7.393 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.064 0.974 -6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.190 2.311 -7.000 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.926 0.118 -9.157 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.608 0.339 -11.631 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.143 4.071 -8.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.563 1.811 -13.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.311 4.935 -10.754 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.066 3.790 -12.943 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.679 2.458 -4.481 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.649 2.811 -3.066 1.00 0.00 C ATOM 1641 C CYS A 104 -1.709 3.993 -2.845 1.00 0.00 C ATOM 1642 O CYS A 104 -2.041 4.897 -2.082 1.00 0.00 O ATOM 1643 CB CYS A 104 -2.193 1.625 -2.216 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.400 2.043 -0.458 1.00 0.00 S ATOM 0 H CYS A 104 -2.187 1.594 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.659 3.086 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.776 0.738 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.150 1.390 -2.427 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.059 1.095 0.139 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.562 4.018 -3.532 1.00 0.00 N ATOM 1651 CA LEU A 105 0.412 5.095 -3.418 1.00 0.00 C ATOM 1652 C LEU A 105 -0.245 6.398 -3.875 1.00 0.00 C ATOM 1653 O LEU A 105 -0.055 7.421 -3.227 1.00 0.00 O ATOM 1654 CB LEU A 105 1.681 4.743 -4.229 1.00 0.00 C ATOM 1655 CG LEU A 105 2.528 3.610 -3.613 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.556 3.105 -4.623 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.277 4.021 -2.344 1.00 0.00 C ATOM 0 H LEU A 105 -0.287 3.284 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 105 0.731 5.227 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.386 4.454 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.300 5.636 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 105 1.816 2.830 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.146 2.306 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.042 2.724 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.215 3.924 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.850 3.173 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.954 4.844 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.561 4.339 -1.586 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.093 6.361 -4.912 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.882 7.526 -5.316 1.00 0.00 C ATOM 1671 C ARG A 106 -2.856 7.989 -4.235 1.00 0.00 C ATOM 1672 O ARG A 106 -3.117 9.180 -4.131 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.647 7.252 -6.617 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.713 7.024 -7.803 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.461 7.120 -9.144 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.912 8.209 -9.967 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.685 8.214 -11.286 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.106 7.223 -12.065 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -1.029 9.229 -11.831 1.00 0.00 N ATOM 0 H ARG A 106 -1.248 5.532 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.165 8.331 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.282 6.376 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.305 8.094 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.910 7.761 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.247 6.042 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.379 6.175 -9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.522 7.293 -8.963 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.675 9.068 -9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.614 6.437 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.921 7.249 -13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.702 9.998 -11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.852 9.241 -12.835 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.433 7.069 -3.464 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.363 7.403 -2.393 1.00 0.00 C ATOM 1695 C CYS A 107 -3.621 8.019 -1.199 1.00 0.00 C ATOM 1696 O CYS A 107 -4.220 8.785 -0.447 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.126 6.122 -2.031 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.409 6.351 -0.766 1.00 0.00 S ATOM 0 H CYS A 107 -3.266 6.068 -3.567 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.078 8.162 -2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.588 5.721 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.414 5.376 -1.679 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.996 5.215 -0.532 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.331 7.710 -1.014 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.513 8.314 0.032 1.00 0.00 C ATOM 1706 C LEU A 108 -1.045 9.727 -0.323 1.00 0.00 C ATOM 1707 O LEU A 108 -0.631 10.459 0.581 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.271 7.452 0.290 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.499 6.064 0.897 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.864 5.407 1.096 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.240 6.092 2.233 1.00 0.00 C ATOM 0 H LEU A 108 -1.830 7.033 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.143 8.374 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.255 7.325 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.394 8.006 0.953 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.130 5.504 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.730 4.415 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.369 5.319 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.467 6.017 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.365 5.074 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.665 6.671 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.219 6.551 2.096 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.069 10.120 -1.602 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.632 11.427 -2.050 1.00 0.00 C ATOM 1725 C TRP A 109 -1.490 12.511 -1.390 1.00 0.00 C ATOM 1726 O TRP A 109 -2.667 12.298 -1.094 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.713 11.477 -3.578 1.00 0.00 C ATOM 1728 CG TRP A 109 0.237 10.659 -4.399 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.300 9.945 -3.968 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.191 10.461 -5.839 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.927 9.344 -5.045 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.286 9.637 -6.227 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.705 10.865 -6.848 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.511 9.275 -7.562 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.508 10.489 -8.185 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.608 9.707 -8.548 1.00 0.00 C ATOM 0 H TRP A 109 -1.400 9.522 -2.359 1.00 0.00 H new ATOM 0 HA TRP A 109 0.402 11.610 -1.758 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.724 11.183 -3.860 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.589 12.518 -3.877 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.613 9.857 -2.938 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.759 8.758 -4.972 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.558 11.474 -6.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.367 8.672 -7.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.215 10.800 -8.940 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.768 9.441 -9.582 1.00 0.00 H new ATOM 1747 N SER A 110 -0.892 13.673 -1.146 1.00 0.00 N ATOM 1748 CA SER A 110 -1.487 14.776 -0.411 1.00 0.00 C ATOM 1749 C SER A 110 -2.012 15.811 -1.404 1.00 0.00 C ATOM 1750 O SER A 110 -1.545 15.885 -2.539 1.00 0.00 O ATOM 1751 CB SER A 110 -0.406 15.361 0.502 1.00 0.00 C ATOM 1752 OG SER A 110 -0.988 16.184 1.490 1.00 0.00 O ATOM 0 H SER A 110 0.054 13.876 -1.468 1.00 0.00 H new ATOM 0 HA SER A 110 -2.329 14.448 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.154 14.555 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.305 15.939 -0.089 1.00 0.00 H new ATOM 0 HG SER A 110 -0.285 16.549 2.067 1.00 0.00 H new