USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 888 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 80 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.54) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -36:sc= 0.68 USER MOD Set 2.2: A 118 TYR OH : rot 166:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= 0.402 (180deg=-0.0701) USER MOD Single : A 16 ASN : amide:sc= -0.262 K(o=-0.26,f=-1) USER MOD Single : A 17 TYR OH : rot 46:sc= 1.26 USER MOD Single : A 18 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 1.32 (180deg=1.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -160:sc= -1.45 USER MOD Single : A 39 HIS : no HD1:sc= 0.946 K(o=0.95,f=-3.6!) USER MOD Single : A 40 CYS SG : rot 81:sc= -0.393 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= -2.48! (180deg=-4.44!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -142:sc= 0.715 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.374 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.027 (180deg=-0.221) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.743) USER MOD Single : A 71 THR OG1 : rot -19:sc= 0.29 USER MOD Single : A 73 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.5) USER MOD Single : A 84 THR OG1 : rot -12:sc= 1.22 USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= 1.04 (180deg=0.602) USER MOD Single : A 88 TYR OH : rot 107:sc= 0.308 USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -1.73 (180deg=-2.31) USER MOD Single : A 95 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.8) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 163:sc= 1.03 USER MOD Single : A 104 THR OG1 : rot -156:sc= -3.09! USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 1.36 (180deg=1.19) USER MOD Single : A 115 ASN : amide:sc= -2.09 K(o=-2.1,f=-4.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0189) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 2.784 10.781 -3.478 1.00 0.00 N ATOM 84 CA PRO A 8 3.987 9.957 -3.439 1.00 0.00 C ATOM 85 C PRO A 8 3.628 8.483 -3.560 1.00 0.00 C ATOM 86 O PRO A 8 4.215 7.735 -4.353 1.00 0.00 O ATOM 87 CB PRO A 8 4.562 10.239 -2.065 1.00 0.00 C ATOM 88 CG PRO A 8 3.417 10.670 -1.221 1.00 0.00 C ATOM 89 CD PRO A 8 2.383 11.259 -2.140 1.00 0.00 C ATOM 0 HA PRO A 8 4.679 10.178 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.038 9.350 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.325 11.016 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.005 9.824 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.739 11.405 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.379 10.923 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.378 12.348 -2.090 1.00 0.00 H new ATOM 97 N VAL A 9 2.659 8.089 -2.762 1.00 0.00 N ATOM 98 CA VAL A 9 2.122 6.784 -2.781 1.00 0.00 C ATOM 99 C VAL A 9 1.347 6.617 -4.074 1.00 0.00 C ATOM 100 O VAL A 9 0.541 7.485 -4.455 1.00 0.00 O ATOM 101 CB VAL A 9 1.266 6.495 -1.493 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.295 7.610 -1.169 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.528 5.195 -1.604 1.00 0.00 C ATOM 0 H VAL A 9 2.225 8.700 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 9 2.918 6.040 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 9 1.980 6.431 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.267 7.354 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.846 8.535 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.395 7.745 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.053 5.028 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.142 5.229 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.242 4.381 -1.733 1.00 0.00 H new ATOM 113 N THR A 10 1.631 5.554 -4.761 1.00 0.00 N ATOM 114 CA THR A 10 1.107 5.343 -6.062 1.00 0.00 C ATOM 115 C THR A 10 -0.353 4.914 -5.996 1.00 0.00 C ATOM 116 O THR A 10 -0.683 3.842 -5.497 1.00 0.00 O ATOM 117 CB THR A 10 1.963 4.304 -6.803 1.00 0.00 C ATOM 118 OG1 THR A 10 3.348 4.696 -6.669 1.00 0.00 O ATOM 119 CG2 THR A 10 1.603 4.263 -8.288 1.00 0.00 C ATOM 0 H THR A 10 2.239 4.806 -4.426 1.00 0.00 H new ATOM 0 HA THR A 10 1.144 6.281 -6.616 1.00 0.00 H new ATOM 0 HB THR A 10 1.785 3.316 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.918 4.047 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.222 3.520 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.552 3.996 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.778 5.243 -8.732 1.00 0.00 H new ATOM 127 N VAL A 11 -1.216 5.784 -6.429 1.00 0.00 N ATOM 128 CA VAL A 11 -2.611 5.472 -6.498 1.00 0.00 C ATOM 129 C VAL A 11 -2.821 4.606 -7.720 1.00 0.00 C ATOM 130 O VAL A 11 -2.736 5.074 -8.858 1.00 0.00 O ATOM 131 CB VAL A 11 -3.491 6.738 -6.570 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.974 6.376 -6.635 1.00 0.00 C ATOM 133 CG2 VAL A 11 -3.212 7.649 -5.383 1.00 0.00 C ATOM 0 H VAL A 11 -0.974 6.724 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.910 4.948 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.238 7.273 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.569 7.288 -6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.162 5.771 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.250 5.811 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.841 8.537 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.432 7.118 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.163 7.946 -5.391 1.00 0.00 H new ATOM 143 N VAL A 12 -3.033 3.360 -7.473 1.00 0.00 N ATOM 144 CA VAL A 12 -3.170 2.367 -8.487 1.00 0.00 C ATOM 145 C VAL A 12 -4.614 1.969 -8.507 1.00 0.00 C ATOM 146 O VAL A 12 -5.118 1.444 -7.531 1.00 0.00 O ATOM 147 CB VAL A 12 -2.328 1.110 -8.120 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.397 0.092 -9.194 1.00 0.00 C ATOM 149 CG2 VAL A 12 -0.882 1.448 -7.861 1.00 0.00 C ATOM 0 H VAL A 12 -3.119 2.989 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.833 2.755 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.760 0.710 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.800 -0.775 -8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.433 -0.213 -9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.008 0.514 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.335 0.539 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.448 1.897 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.816 2.153 -7.032 1.00 0.00 H new ATOM 159 N VAL A 13 -5.285 2.262 -9.577 1.00 0.00 N ATOM 160 CA VAL A 13 -6.667 1.876 -9.725 1.00 0.00 C ATOM 161 C VAL A 13 -6.779 0.358 -9.869 1.00 0.00 C ATOM 162 O VAL A 13 -5.768 -0.325 -10.116 1.00 0.00 O ATOM 163 CB VAL A 13 -7.315 2.558 -10.940 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.382 4.042 -10.728 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.529 2.264 -12.182 1.00 0.00 C ATOM 0 H VAL A 13 -4.900 2.772 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.197 2.198 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.326 2.167 -11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.843 4.513 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.977 4.256 -9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.375 4.436 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.000 2.753 -13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.511 2.637 -12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.504 1.187 -12.350 1.00 0.00 H new ATOM 175 N ALA A 14 -7.999 -0.164 -9.785 1.00 0.00 N ATOM 176 CA ALA A 14 -8.238 -1.609 -9.859 1.00 0.00 C ATOM 177 C ALA A 14 -7.776 -2.169 -11.199 1.00 0.00 C ATOM 178 O ALA A 14 -7.457 -3.350 -11.321 1.00 0.00 O ATOM 179 CB ALA A 14 -9.701 -1.926 -9.595 1.00 0.00 C ATOM 0 H ALA A 14 -8.845 0.393 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.649 -2.095 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.856 -3.003 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.976 -1.574 -8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.321 -1.428 -10.340 1.00 0.00 H new ATOM 185 N LYS A 15 -7.715 -1.285 -12.183 1.00 0.00 N ATOM 186 CA LYS A 15 -7.198 -1.587 -13.511 1.00 0.00 C ATOM 187 C LYS A 15 -5.726 -2.023 -13.448 1.00 0.00 C ATOM 188 O LYS A 15 -5.344 -3.030 -14.033 1.00 0.00 O ATOM 189 CB LYS A 15 -7.342 -0.319 -14.386 1.00 0.00 C ATOM 190 CG LYS A 15 -6.524 -0.239 -15.684 1.00 0.00 C ATOM 191 CD LYS A 15 -7.090 -1.061 -16.867 1.00 0.00 C ATOM 192 CE LYS A 15 -6.792 -2.560 -16.808 1.00 0.00 C ATOM 193 NZ LYS A 15 -5.350 -2.847 -16.974 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.029 -0.320 -12.080 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.765 -2.413 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.395 -0.213 -14.648 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.078 0.542 -13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.454 0.806 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.509 -0.579 -15.478 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.170 -0.921 -16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.684 -0.661 -17.796 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.133 -2.960 -15.853 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.355 -3.072 -17.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.231 -3.700 -17.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.887 -2.041 -17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.917 -3.002 -16.041 1.00 0.00 H new ATOM 207 N ASN A 16 -4.925 -1.300 -12.706 1.00 0.00 N ATOM 208 CA ASN A 16 -3.478 -1.528 -12.728 1.00 0.00 C ATOM 209 C ASN A 16 -3.051 -2.337 -11.560 1.00 0.00 C ATOM 210 O ASN A 16 -1.924 -2.781 -11.489 1.00 0.00 O ATOM 211 CB ASN A 16 -2.710 -0.249 -12.626 1.00 0.00 C ATOM 212 CG ASN A 16 -3.182 0.877 -13.473 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.662 0.722 -14.588 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.085 2.010 -12.904 1.00 0.00 N ATOM 0 H ASN A 16 -5.233 -0.554 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.276 -2.033 -13.672 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.726 0.076 -11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.670 -0.454 -12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.417 2.849 -13.379 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.676 2.079 -11.972 1.00 0.00 H new ATOM 221 N TYR A 17 -3.915 -2.471 -10.607 1.00 0.00 N ATOM 222 CA TYR A 17 -3.647 -3.192 -9.409 1.00 0.00 C ATOM 223 C TYR A 17 -3.091 -4.599 -9.662 1.00 0.00 C ATOM 224 O TYR A 17 -2.201 -5.053 -8.955 1.00 0.00 O ATOM 225 CB TYR A 17 -4.889 -3.150 -8.513 1.00 0.00 C ATOM 226 CG TYR A 17 -5.299 -4.475 -7.914 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.584 -5.051 -6.879 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.381 -5.164 -8.428 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.931 -6.271 -6.373 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.741 -6.386 -7.932 1.00 0.00 C ATOM 231 CZ TYR A 17 -6.017 -6.944 -6.910 1.00 0.00 C ATOM 232 OH TYR A 17 -6.388 -8.170 -6.428 1.00 0.00 O ATOM 0 H TYR A 17 -4.852 -2.070 -10.643 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.835 -2.703 -8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.708 -2.444 -7.702 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.724 -2.760 -9.095 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.736 -4.526 -6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.952 -4.730 -9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.365 -6.707 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.592 -6.909 -8.343 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.388 -8.150 -5.448 1.00 0.00 H new ATOM 242 N ASN A 18 -3.528 -5.213 -10.727 1.00 0.00 N ATOM 243 CA ASN A 18 -3.108 -6.549 -11.071 1.00 0.00 C ATOM 244 C ASN A 18 -1.706 -6.567 -11.610 1.00 0.00 C ATOM 245 O ASN A 18 -1.094 -7.620 -11.744 1.00 0.00 O ATOM 246 CB ASN A 18 -4.034 -7.151 -12.095 1.00 0.00 C ATOM 247 CG ASN A 18 -5.425 -7.259 -11.600 1.00 0.00 C ATOM 248 OD1 ASN A 18 -6.265 -6.389 -11.832 1.00 0.00 O ATOM 249 ND2 ASN A 18 -5.659 -8.279 -10.874 1.00 0.00 N ATOM 0 H ASN A 18 -4.189 -4.801 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.139 -7.138 -10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.019 -6.541 -12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.671 -8.141 -12.372 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.579 -8.405 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.926 -8.970 -10.714 1.00 0.00 H new ATOM 256 N GLU A 19 -1.208 -5.421 -11.929 1.00 0.00 N ATOM 257 CA GLU A 19 0.127 -5.335 -12.466 1.00 0.00 C ATOM 258 C GLU A 19 1.083 -4.786 -11.443 1.00 0.00 C ATOM 259 O GLU A 19 2.103 -5.372 -11.146 1.00 0.00 O ATOM 260 CB GLU A 19 0.160 -4.532 -13.782 1.00 0.00 C ATOM 261 CG GLU A 19 0.001 -3.036 -13.733 1.00 0.00 C ATOM 262 CD GLU A 19 0.044 -2.420 -15.096 1.00 0.00 C ATOM 263 OE1 GLU A 19 1.158 -2.169 -15.611 1.00 0.00 O ATOM 264 OE2 GLU A 19 -1.018 -2.185 -15.687 1.00 0.00 O1- ATOM 0 H GLU A 19 -1.694 -4.529 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 19 0.456 -6.345 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.110 -4.745 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.627 -4.925 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.946 -2.788 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.792 -2.608 -13.117 1.00 0.00 H new ATOM 271 N ILE A 20 0.712 -3.680 -10.912 1.00 0.00 N ATOM 272 CA ILE A 20 1.529 -2.923 -9.961 1.00 0.00 C ATOM 273 C ILE A 20 1.554 -3.579 -8.585 1.00 0.00 C ATOM 274 O ILE A 20 2.604 -3.921 -8.076 1.00 0.00 O ATOM 275 CB ILE A 20 0.986 -1.483 -9.797 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.824 -0.793 -11.163 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.902 -0.658 -8.878 1.00 0.00 C ATOM 278 CD1 ILE A 20 2.110 -0.445 -11.874 1.00 0.00 C ATOM 0 H ILE A 20 -0.187 -3.242 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 20 2.540 -2.904 -10.368 1.00 0.00 H new ATOM 0 HB ILE A 20 0.001 -1.547 -9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.236 -1.443 -11.811 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.249 0.122 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.502 0.351 -8.776 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.952 -1.129 -7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.902 -0.610 -9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.881 0.036 -12.825 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.696 0.235 -11.255 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.683 -1.354 -12.056 1.00 0.00 H new ATOM 290 N VAL A 21 0.380 -3.754 -8.010 1.00 0.00 N ATOM 291 CA VAL A 21 0.229 -4.260 -6.654 1.00 0.00 C ATOM 292 C VAL A 21 0.489 -5.724 -6.605 1.00 0.00 C ATOM 293 O VAL A 21 1.039 -6.255 -5.656 1.00 0.00 O ATOM 294 CB VAL A 21 -1.210 -4.001 -6.192 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.480 -4.603 -4.819 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.512 -2.513 -6.219 1.00 0.00 C ATOM 0 H VAL A 21 -0.505 -3.548 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 21 0.944 -3.753 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.884 -4.499 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.510 -4.398 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.322 -5.681 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.802 -4.162 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.537 -2.344 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.825 -1.990 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.391 -2.136 -7.234 1.00 0.00 H new ATOM 306 N LEU A 22 0.139 -6.350 -7.645 1.00 0.00 N ATOM 307 CA LEU A 22 0.161 -7.747 -7.704 1.00 0.00 C ATOM 308 C LEU A 22 1.478 -8.215 -8.353 1.00 0.00 C ATOM 309 O LEU A 22 1.583 -9.343 -8.871 1.00 0.00 O ATOM 310 CB LEU A 22 -1.062 -8.150 -8.500 1.00 0.00 C ATOM 311 CG LEU A 22 -1.689 -9.477 -8.137 1.00 0.00 C ATOM 312 CD1 LEU A 22 -2.439 -9.358 -6.820 1.00 0.00 C ATOM 313 CD2 LEU A 22 -2.576 -10.007 -9.248 1.00 0.00 C ATOM 0 H LEU A 22 -0.179 -5.897 -8.502 1.00 0.00 H new ATOM 0 HA LEU A 22 0.127 -8.214 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.817 -7.372 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.790 -8.177 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.890 -10.208 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.887 -10.319 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.746 -9.063 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.223 -8.606 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.006 -10.962 -8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.377 -9.294 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.983 -10.146 -10.152 1.00 0.00 H new ATOM 325 N ASP A 23 2.489 -7.348 -8.269 1.00 0.00 N ATOM 326 CA ASP A 23 3.825 -7.611 -8.848 1.00 0.00 C ATOM 327 C ASP A 23 4.583 -8.635 -7.960 1.00 0.00 C ATOM 328 O ASP A 23 4.138 -8.965 -6.869 1.00 0.00 O ATOM 329 CB ASP A 23 4.632 -6.293 -8.947 1.00 0.00 C ATOM 330 CG ASP A 23 5.805 -6.349 -9.922 1.00 0.00 C ATOM 331 OD1 ASP A 23 6.763 -7.120 -9.705 1.00 0.00 O ATOM 332 OD2 ASP A 23 5.799 -5.589 -10.920 1.00 0.00 O1- ATOM 0 H ASP A 23 2.414 -6.445 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 23 3.707 -8.023 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.960 -5.491 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.009 -6.036 -7.957 1.00 0.00 H new ATOM 337 N ASP A 24 5.684 -9.179 -8.442 1.00 0.00 N ATOM 338 CA ASP A 24 6.462 -10.149 -7.681 1.00 0.00 C ATOM 339 C ASP A 24 7.845 -9.649 -7.343 1.00 0.00 C ATOM 340 O ASP A 24 8.591 -10.341 -6.657 1.00 0.00 O ATOM 341 CB ASP A 24 6.587 -11.486 -8.408 1.00 0.00 C ATOM 342 CG ASP A 24 7.439 -11.439 -9.666 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.948 -10.957 -10.705 1.00 0.00 O1- ATOM 344 OD2 ASP A 24 8.595 -11.908 -9.649 1.00 0.00 O ATOM 0 H ASP A 24 6.065 -8.966 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 24 5.906 -10.294 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.012 -12.220 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.589 -11.837 -8.672 1.00 0.00 H new ATOM 349 N THR A 25 8.215 -8.483 -7.811 1.00 0.00 N ATOM 350 CA THR A 25 9.542 -8.006 -7.515 1.00 0.00 C ATOM 351 C THR A 25 9.526 -6.795 -6.578 1.00 0.00 C ATOM 352 O THR A 25 10.568 -6.243 -6.270 1.00 0.00 O ATOM 353 CB THR A 25 10.396 -7.726 -8.797 1.00 0.00 C ATOM 354 OG1 THR A 25 11.762 -7.454 -8.431 1.00 0.00 O ATOM 355 CG2 THR A 25 9.865 -6.533 -9.572 1.00 0.00 C ATOM 0 H THR A 25 7.638 -7.864 -8.380 1.00 0.00 H new ATOM 0 HA THR A 25 10.035 -8.823 -6.988 1.00 0.00 H new ATOM 0 HB THR A 25 10.336 -8.615 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.782 -6.958 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.483 -6.369 -10.455 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.837 -6.727 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.894 -5.646 -8.939 1.00 0.00 H new ATOM 363 N LYS A 26 8.361 -6.385 -6.116 1.00 0.00 N ATOM 364 CA LYS A 26 8.295 -5.284 -5.164 1.00 0.00 C ATOM 365 C LYS A 26 7.321 -5.678 -4.081 1.00 0.00 C ATOM 366 O LYS A 26 6.309 -6.299 -4.386 1.00 0.00 O ATOM 367 CB LYS A 26 7.764 -3.969 -5.798 1.00 0.00 C ATOM 368 CG LYS A 26 8.273 -3.598 -7.198 1.00 0.00 C ATOM 369 CD LYS A 26 9.766 -3.331 -7.245 1.00 0.00 C ATOM 370 CE LYS A 26 10.194 -2.942 -8.649 1.00 0.00 C ATOM 371 NZ LYS A 26 11.651 -2.786 -8.770 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.460 -6.786 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 26 9.304 -5.102 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.677 -4.033 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.008 -3.148 -5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.034 -4.406 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.742 -2.712 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.021 -2.533 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.310 -4.220 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.853 -3.701 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.707 -2.007 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.865 -2.090 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.041 -2.457 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.079 -3.701 -9.020 1.00 0.00 H new ATOM 385 N ASP A 27 7.640 -5.383 -2.832 1.00 0.00 N ATOM 386 CA ASP A 27 6.666 -5.563 -1.768 1.00 0.00 C ATOM 387 C ASP A 27 5.713 -4.405 -1.895 1.00 0.00 C ATOM 388 O ASP A 27 6.130 -3.259 -1.817 1.00 0.00 O ATOM 389 CB ASP A 27 7.310 -5.532 -0.359 1.00 0.00 C ATOM 390 CG ASP A 27 8.219 -6.703 -0.010 1.00 0.00 C ATOM 391 OD1 ASP A 27 7.873 -7.871 -0.265 1.00 0.00 O ATOM 392 OD2 ASP A 27 9.263 -6.476 0.592 1.00 0.00 O1- ATOM 0 H ASP A 27 8.547 -5.025 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 27 6.184 -6.536 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.886 -4.611 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.512 -5.485 0.382 1.00 0.00 H new ATOM 397 N VAL A 28 4.486 -4.660 -2.167 1.00 0.00 N ATOM 398 CA VAL A 28 3.557 -3.590 -2.368 1.00 0.00 C ATOM 399 C VAL A 28 2.514 -3.540 -1.271 1.00 0.00 C ATOM 400 O VAL A 28 1.739 -4.480 -1.081 1.00 0.00 O ATOM 401 CB VAL A 28 2.890 -3.667 -3.774 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.003 -2.470 -4.026 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.936 -3.773 -4.871 1.00 0.00 C ATOM 0 H VAL A 28 4.093 -5.597 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 28 4.126 -2.661 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 28 2.273 -4.566 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.552 -2.553 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.218 -2.434 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.598 -1.559 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.442 -3.825 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.585 -2.898 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.533 -4.672 -4.719 1.00 0.00 H new ATOM 413 N LEU A 29 2.531 -2.463 -0.523 1.00 0.00 N ATOM 414 CA LEU A 29 1.510 -2.214 0.456 1.00 0.00 C ATOM 415 C LEU A 29 0.386 -1.586 -0.240 1.00 0.00 C ATOM 416 O LEU A 29 0.588 -0.598 -0.940 1.00 0.00 O ATOM 417 CB LEU A 29 1.952 -1.242 1.543 1.00 0.00 C ATOM 418 CG LEU A 29 2.483 -1.805 2.846 1.00 0.00 C ATOM 419 CD1 LEU A 29 2.740 -0.668 3.800 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.501 -2.791 3.467 1.00 0.00 C ATOM 0 H LEU A 29 3.250 -1.741 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 29 1.262 -3.165 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.725 -0.601 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.102 -0.602 1.781 1.00 0.00 H new ATOM 0 HG LEU A 29 3.409 -2.343 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.123 -1.062 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.473 0.012 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.810 -0.130 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.913 -3.176 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.556 -2.286 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.330 -3.618 2.777 1.00 0.00 H new ATOM 432 N ILE A 30 -0.760 -2.150 -0.129 1.00 0.00 N ATOM 433 CA ILE A 30 -1.890 -1.500 -0.709 1.00 0.00 C ATOM 434 C ILE A 30 -2.920 -1.075 0.346 1.00 0.00 C ATOM 435 O ILE A 30 -3.118 -1.766 1.353 1.00 0.00 O ATOM 436 CB ILE A 30 -2.563 -2.340 -1.811 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.482 -1.439 -2.623 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.339 -3.510 -1.201 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.132 -2.105 -3.775 1.00 0.00 C ATOM 0 H ILE A 30 -0.945 -3.035 0.343 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.497 -0.599 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.801 -2.762 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.255 -1.042 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.907 -0.588 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.807 -4.090 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.655 -4.147 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.109 -3.126 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.768 -1.390 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.369 -2.478 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.738 -2.938 -3.419 1.00 0.00 H new ATOM 451 N GLU A 31 -3.534 0.064 0.112 1.00 0.00 N ATOM 452 CA GLU A 31 -4.615 0.569 0.943 1.00 0.00 C ATOM 453 C GLU A 31 -5.887 0.620 0.087 1.00 0.00 C ATOM 454 O GLU A 31 -5.922 1.274 -0.951 1.00 0.00 O ATOM 455 CB GLU A 31 -4.279 1.998 1.459 1.00 0.00 C ATOM 456 CG GLU A 31 -5.302 2.647 2.412 1.00 0.00 C ATOM 457 CD GLU A 31 -5.046 4.156 2.604 1.00 0.00 C ATOM 458 OE1 GLU A 31 -3.993 4.548 3.127 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -5.877 4.988 2.149 1.00 0.00 O ATOM 0 H GLU A 31 -3.297 0.676 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.756 -0.084 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.316 1.958 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.156 2.652 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.307 2.498 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.262 2.148 3.380 1.00 0.00 H new ATOM 466 N PHE A 32 -6.870 -0.133 0.458 1.00 0.00 N ATOM 467 CA PHE A 32 -8.177 -0.028 -0.152 1.00 0.00 C ATOM 468 C PHE A 32 -8.848 1.056 0.564 1.00 0.00 C ATOM 469 O PHE A 32 -8.973 0.951 1.780 1.00 0.00 O ATOM 470 CB PHE A 32 -8.998 -1.286 0.069 1.00 0.00 C ATOM 471 CG PHE A 32 -8.479 -2.502 -0.653 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.871 -2.755 -1.951 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.605 -3.382 -0.039 1.00 0.00 C ATOM 474 CE1 PHE A 32 -8.400 -3.867 -2.628 1.00 0.00 C ATOM 475 CE2 PHE A 32 -7.132 -4.492 -0.706 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.530 -4.736 -2.002 1.00 0.00 C ATOM 0 H PHE A 32 -6.802 -0.840 1.190 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.080 0.134 -1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.033 -1.500 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.023 -1.098 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.553 -2.078 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.289 -3.197 0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.713 -4.054 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.450 -5.169 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.162 -5.605 -2.527 1.00 0.00 H new ATOM 486 N TYR A 33 -9.257 2.086 -0.125 1.00 0.00 N ATOM 487 CA TYR A 33 -9.837 3.214 0.553 1.00 0.00 C ATOM 488 C TYR A 33 -11.001 3.813 -0.202 1.00 0.00 C ATOM 489 O TYR A 33 -11.482 3.266 -1.200 1.00 0.00 O ATOM 490 CB TYR A 33 -8.768 4.303 0.775 1.00 0.00 C ATOM 491 CG TYR A 33 -8.270 5.018 -0.496 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.323 4.450 -1.323 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.769 6.273 -0.851 1.00 0.00 C ATOM 494 CE1 TYR A 33 -6.887 5.103 -2.464 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.339 6.925 -1.983 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.398 6.337 -2.785 1.00 0.00 C ATOM 497 OH TYR A 33 -6.961 6.988 -3.912 1.00 0.00 O ATOM 0 H TYR A 33 -9.201 2.169 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.214 2.847 1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.174 5.051 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.912 3.849 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.915 3.481 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.510 6.743 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.146 4.642 -3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.741 7.895 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.424 7.848 -3.993 1.00 0.00 H new ATOM 507 N ALA A 34 -11.413 4.937 0.321 1.00 0.00 N ATOM 508 CA ALA A 34 -12.423 5.806 -0.186 1.00 0.00 C ATOM 509 C ALA A 34 -12.019 7.190 0.323 1.00 0.00 C ATOM 510 O ALA A 34 -11.374 7.268 1.367 1.00 0.00 O ATOM 511 CB ALA A 34 -13.780 5.415 0.377 1.00 0.00 C ATOM 0 H ALA A 34 -11.010 5.292 1.188 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.505 5.767 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.544 6.085 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.012 4.390 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.758 5.489 1.464 1.00 0.00 H new ATOM 517 N PRO A 35 -12.395 8.292 -0.334 1.00 0.00 N ATOM 518 CA PRO A 35 -11.957 9.621 0.084 1.00 0.00 C ATOM 519 C PRO A 35 -12.806 10.105 1.229 1.00 0.00 C ATOM 520 O PRO A 35 -12.423 10.953 2.019 1.00 0.00 O ATOM 521 CB PRO A 35 -12.173 10.489 -1.154 1.00 0.00 C ATOM 522 CG PRO A 35 -13.046 9.699 -2.089 1.00 0.00 C ATOM 523 CD PRO A 35 -13.294 8.348 -1.479 1.00 0.00 C ATOM 0 HA PRO A 35 -10.923 9.642 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.647 11.433 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.221 10.733 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.990 10.218 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.563 9.594 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.334 8.236 -1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.083 7.548 -2.188 1.00 0.00 H new ATOM 531 N TRP A 36 -13.947 9.497 1.322 1.00 0.00 N ATOM 532 CA TRP A 36 -14.911 9.801 2.369 1.00 0.00 C ATOM 533 C TRP A 36 -14.711 8.905 3.571 1.00 0.00 C ATOM 534 O TRP A 36 -15.473 8.949 4.545 1.00 0.00 O ATOM 535 CB TRP A 36 -16.339 9.704 1.837 1.00 0.00 C ATOM 536 CG TRP A 36 -16.693 8.405 1.165 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.627 8.147 -0.168 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.194 7.204 1.779 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.030 6.869 -0.421 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.387 6.266 0.752 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.490 6.832 3.096 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.863 4.981 0.993 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.962 5.557 3.335 1.00 0.00 C ATOM 544 CH2 TRP A 36 -18.143 4.646 2.290 1.00 0.00 C ATOM 0 H TRP A 36 -14.251 8.769 0.676 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.744 10.828 2.693 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.029 9.864 2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.500 10.516 1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.302 8.852 -0.919 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.060 6.432 -1.342 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.352 7.529 3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -18.006 4.275 0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -18.195 5.258 4.346 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -18.512 3.655 2.511 1.00 0.00 H new ATOM 555 N CYS A 37 -13.688 8.113 3.505 1.00 0.00 N ATOM 556 CA CYS A 37 -13.379 7.197 4.558 1.00 0.00 C ATOM 557 C CYS A 37 -12.607 7.911 5.651 1.00 0.00 C ATOM 558 O CYS A 37 -11.489 8.399 5.416 1.00 0.00 O ATOM 559 CB CYS A 37 -12.583 6.010 4.021 1.00 0.00 C ATOM 560 SG CYS A 37 -12.086 4.802 5.258 1.00 0.00 S ATOM 0 H CYS A 37 -13.041 8.083 2.717 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.309 6.815 4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.181 5.505 3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.689 6.387 3.524 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.097 4.094 4.800 1.00 0.00 H new ATOM 566 N GLY A 38 -13.194 7.970 6.838 1.00 0.00 N ATOM 567 CA GLY A 38 -12.559 8.630 7.965 1.00 0.00 C ATOM 568 C GLY A 38 -11.263 7.951 8.333 1.00 0.00 C ATOM 569 O GLY A 38 -10.280 8.604 8.697 1.00 0.00 O ATOM 0 H GLY A 38 -14.109 7.568 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.369 9.675 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.233 8.622 8.822 1.00 0.00 H new ATOM 573 N HIS A 39 -11.260 6.644 8.194 1.00 0.00 N ATOM 574 CA HIS A 39 -10.101 5.829 8.456 1.00 0.00 C ATOM 575 C HIS A 39 -8.999 6.160 7.454 1.00 0.00 C ATOM 576 O HIS A 39 -7.863 6.357 7.835 1.00 0.00 O ATOM 577 CB HIS A 39 -10.486 4.341 8.397 1.00 0.00 C ATOM 578 CG HIS A 39 -9.389 3.382 8.754 1.00 0.00 C ATOM 579 ND1 HIS A 39 -8.996 3.146 10.042 1.00 0.00 N ATOM 580 CD2 HIS A 39 -8.634 2.567 7.982 1.00 0.00 C ATOM 581 CE1 HIS A 39 -8.056 2.240 10.060 1.00 0.00 C ATOM 582 NE2 HIS A 39 -7.811 1.865 8.823 1.00 0.00 N ATOM 0 H HIS A 39 -12.076 6.112 7.891 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.722 6.040 9.456 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.327 4.173 9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.833 4.112 7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.673 2.485 6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.562 1.862 10.943 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.123 1.168 8.538 1.00 0.00 H new ATOM 591 N CYS A 40 -9.356 6.265 6.180 1.00 0.00 N ATOM 592 CA CYS A 40 -8.385 6.589 5.127 1.00 0.00 C ATOM 593 C CYS A 40 -7.740 7.928 5.390 1.00 0.00 C ATOM 594 O CYS A 40 -6.531 8.081 5.289 1.00 0.00 O ATOM 595 CB CYS A 40 -9.032 6.604 3.749 1.00 0.00 C ATOM 596 SG CYS A 40 -7.907 7.076 2.421 1.00 0.00 S ATOM 0 H CYS A 40 -10.310 6.131 5.845 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.625 5.808 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.435 5.614 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.875 7.295 3.761 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.183 6.051 2.081 1.00 0.00 H new ATOM 602 N LYS A 41 -8.535 8.872 5.811 1.00 0.00 N ATOM 603 CA LYS A 41 -8.051 10.216 6.071 1.00 0.00 C ATOM 604 C LYS A 41 -7.154 10.293 7.330 1.00 0.00 C ATOM 605 O LYS A 41 -6.598 11.350 7.644 1.00 0.00 O ATOM 606 CB LYS A 41 -9.210 11.208 6.139 1.00 0.00 C ATOM 607 CG LYS A 41 -10.032 11.275 4.850 1.00 0.00 C ATOM 608 CD LYS A 41 -11.119 12.338 4.917 1.00 0.00 C ATOM 609 CE LYS A 41 -12.150 12.012 5.978 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.206 13.034 6.058 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.532 8.742 5.985 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.416 10.496 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.866 10.932 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.816 12.200 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.371 11.486 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.488 10.303 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.669 13.307 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.608 12.421 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.600 11.043 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.657 11.924 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.889 12.770 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.782 13.954 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.695 13.101 5.142 1.00 0.00 H new ATOM 624 N ALA A 42 -6.993 9.174 8.028 1.00 0.00 N ATOM 625 CA ALA A 42 -6.112 9.107 9.177 1.00 0.00 C ATOM 626 C ALA A 42 -4.847 8.426 8.741 1.00 0.00 C ATOM 627 O ALA A 42 -3.784 8.600 9.318 1.00 0.00 O ATOM 628 CB ALA A 42 -6.745 8.297 10.291 1.00 0.00 C ATOM 0 H ALA A 42 -7.467 8.297 7.812 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.917 10.113 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.067 8.259 11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.682 8.764 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.941 7.284 9.938 1.00 0.00 H new ATOM 634 N LEU A 43 -4.976 7.679 7.679 1.00 0.00 N ATOM 635 CA LEU A 43 -3.915 6.889 7.114 1.00 0.00 C ATOM 636 C LEU A 43 -3.178 7.657 6.052 1.00 0.00 C ATOM 637 O LEU A 43 -2.068 7.361 5.724 1.00 0.00 O ATOM 638 CB LEU A 43 -4.468 5.588 6.560 1.00 0.00 C ATOM 639 CG LEU A 43 -4.601 4.417 7.556 1.00 0.00 C ATOM 640 CD1 LEU A 43 -5.489 4.735 8.749 1.00 0.00 C ATOM 641 CD2 LEU A 43 -5.066 3.166 6.851 1.00 0.00 C ATOM 0 H LEU A 43 -5.853 7.600 7.165 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.202 6.652 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.452 5.789 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.827 5.267 5.739 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.604 4.245 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.538 3.868 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.075 5.583 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.492 4.983 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.153 2.353 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.037 3.348 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.344 2.893 6.081 1.00 0.00 H new ATOM 653 N ALA A 44 -3.789 8.688 5.616 1.00 0.00 N ATOM 654 CA ALA A 44 -3.283 9.572 4.591 1.00 0.00 C ATOM 655 C ALA A 44 -1.907 10.160 4.933 1.00 0.00 C ATOM 656 O ALA A 44 -0.994 10.036 4.128 1.00 0.00 O ATOM 657 CB ALA A 44 -4.269 10.685 4.325 1.00 0.00 C ATOM 0 H ALA A 44 -4.703 8.971 5.969 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.156 8.968 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.875 11.343 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.216 10.260 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.429 11.256 5.240 1.00 0.00 H new ATOM 663 N PRO A 45 -1.690 10.742 6.167 1.00 0.00 N ATOM 664 CA PRO A 45 -0.423 11.396 6.481 1.00 0.00 C ATOM 665 C PRO A 45 0.712 10.430 6.468 1.00 0.00 C ATOM 666 O PRO A 45 1.790 10.727 6.011 1.00 0.00 O ATOM 667 CB PRO A 45 -0.590 11.916 7.893 1.00 0.00 C ATOM 668 CG PRO A 45 -2.025 11.781 8.240 1.00 0.00 C ATOM 669 CD PRO A 45 -2.609 10.771 7.329 1.00 0.00 C ATOM 0 HA PRO A 45 -0.199 12.173 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.029 11.349 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.274 12.957 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.141 11.473 9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.537 12.737 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.673 9.794 7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.620 11.045 7.028 1.00 0.00 H new ATOM 677 N LYS A 46 0.431 9.242 6.894 1.00 0.00 N ATOM 678 CA LYS A 46 1.500 8.243 7.017 1.00 0.00 C ATOM 679 C LYS A 46 1.745 7.647 5.704 1.00 0.00 C ATOM 680 O LYS A 46 2.834 7.342 5.379 1.00 0.00 O ATOM 681 CB LYS A 46 1.138 7.161 8.016 1.00 0.00 C ATOM 682 CG LYS A 46 -0.083 6.421 7.626 1.00 0.00 C ATOM 683 CD LYS A 46 -0.806 5.787 8.741 1.00 0.00 C ATOM 684 CE LYS A 46 -1.445 6.819 9.704 1.00 0.00 C ATOM 685 NZ LYS A 46 -0.503 7.584 10.571 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.499 8.922 7.163 1.00 0.00 H new ATOM 0 HA LYS A 46 2.400 8.739 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.969 6.462 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.989 7.611 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.759 7.108 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.191 5.651 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.585 5.138 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.119 5.152 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.019 7.531 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.153 6.295 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.808 7.513 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.455 7.191 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.498 8.583 10.281 1.00 0.00 H new ATOM 699 N TYR A 47 0.735 7.576 4.934 1.00 0.00 N ATOM 700 CA TYR A 47 0.809 6.932 3.694 1.00 0.00 C ATOM 701 C TYR A 47 1.502 7.820 2.690 1.00 0.00 C ATOM 702 O TYR A 47 2.198 7.350 1.800 1.00 0.00 O ATOM 703 CB TYR A 47 -0.576 6.531 3.293 1.00 0.00 C ATOM 704 CG TYR A 47 -0.676 5.106 2.966 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.550 4.168 3.960 1.00 0.00 C ATOM 706 CD2 TYR A 47 -0.873 4.691 1.684 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.625 2.833 3.686 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.950 3.361 1.376 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.825 2.421 2.386 1.00 0.00 C ATOM 710 OH TYR A 47 -0.900 1.077 2.094 1.00 0.00 O ATOM 0 H TYR A 47 -0.180 7.971 5.153 1.00 0.00 H new ATOM 0 HA TYR A 47 1.412 6.025 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.267 6.764 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.886 7.121 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.389 4.492 4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.970 5.425 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.529 2.107 4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.107 3.046 0.355 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.045 0.959 1.132 1.00 0.00 H new ATOM 720 N GLU A 48 1.363 9.105 2.881 1.00 0.00 N ATOM 721 CA GLU A 48 2.049 10.054 2.067 1.00 0.00 C ATOM 722 C GLU A 48 3.462 10.295 2.548 1.00 0.00 C ATOM 723 O GLU A 48 4.309 10.585 1.762 1.00 0.00 O ATOM 724 CB GLU A 48 1.284 11.344 1.936 1.00 0.00 C ATOM 725 CG GLU A 48 -0.008 11.180 1.160 1.00 0.00 C ATOM 726 CD GLU A 48 -0.879 12.389 1.234 1.00 0.00 C ATOM 727 OE1 GLU A 48 -0.575 13.406 0.583 1.00 0.00 O ATOM 728 OE2 GLU A 48 -1.897 12.341 1.954 1.00 0.00 O1- ATOM 0 H GLU A 48 0.772 9.515 3.604 1.00 0.00 H new ATOM 0 HA GLU A 48 2.117 9.618 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.060 11.732 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.910 12.085 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.224 10.967 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.553 10.319 1.547 1.00 0.00 H new ATOM 735 N GLU A 49 3.722 10.161 3.828 1.00 0.00 N ATOM 736 CA GLU A 49 5.081 10.334 4.313 1.00 0.00 C ATOM 737 C GLU A 49 5.876 9.085 4.063 1.00 0.00 C ATOM 738 O GLU A 49 6.949 9.143 3.522 1.00 0.00 O ATOM 739 CB GLU A 49 5.161 10.715 5.796 1.00 0.00 C ATOM 740 CG GLU A 49 4.554 12.060 6.138 1.00 0.00 C ATOM 741 CD GLU A 49 4.792 12.451 7.575 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.317 11.744 8.493 1.00 0.00 O ATOM 743 OE2 GLU A 49 5.442 13.491 7.820 1.00 0.00 O1- ATOM 0 H GLU A 49 3.030 9.937 4.543 1.00 0.00 H new ATOM 0 HA GLU A 49 5.502 11.171 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.659 9.945 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.207 10.716 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.975 12.822 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.482 12.031 5.945 1.00 0.00 H new ATOM 750 N LEU A 50 5.286 7.950 4.367 1.00 0.00 N ATOM 751 CA LEU A 50 5.950 6.672 4.261 1.00 0.00 C ATOM 752 C LEU A 50 6.047 6.334 2.818 1.00 0.00 C ATOM 753 O LEU A 50 7.053 5.831 2.344 1.00 0.00 O ATOM 754 CB LEU A 50 5.102 5.651 5.018 1.00 0.00 C ATOM 755 CG LEU A 50 5.676 4.245 5.333 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.751 3.353 4.111 1.00 0.00 C ATOM 757 CD2 LEU A 50 7.038 4.362 5.975 1.00 0.00 C ATOM 0 H LEU A 50 4.323 7.889 4.698 1.00 0.00 H new ATOM 0 HA LEU A 50 6.953 6.683 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.819 6.105 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.184 5.506 4.448 1.00 0.00 H new ATOM 0 HG LEU A 50 4.983 3.774 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.160 2.383 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.752 3.219 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.395 3.815 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.426 3.366 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.717 4.878 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.955 4.927 6.904 1.00 0.00 H new ATOM 769 N GLY A 51 4.999 6.652 2.122 1.00 0.00 N ATOM 770 CA GLY A 51 4.978 6.415 0.705 1.00 0.00 C ATOM 771 C GLY A 51 5.940 7.277 -0.016 1.00 0.00 C ATOM 772 O GLY A 51 6.555 6.846 -0.959 1.00 0.00 O ATOM 0 H GLY A 51 4.152 7.073 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.212 5.369 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.973 6.594 0.322 1.00 0.00 H new ATOM 776 N ALA A 52 6.077 8.494 0.438 1.00 0.00 N ATOM 777 CA ALA A 52 7.060 9.397 -0.105 1.00 0.00 C ATOM 778 C ALA A 52 8.416 8.858 0.186 1.00 0.00 C ATOM 779 O ALA A 52 9.207 8.644 -0.718 1.00 0.00 O ATOM 780 CB ALA A 52 6.900 10.774 0.492 1.00 0.00 C ATOM 0 H ALA A 52 5.514 8.888 1.192 1.00 0.00 H new ATOM 0 HA ALA A 52 6.923 9.482 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.651 11.443 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.905 11.156 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.029 10.719 1.573 1.00 0.00 H new ATOM 786 N LEU A 53 8.636 8.527 1.443 1.00 0.00 N ATOM 787 CA LEU A 53 9.933 8.024 1.879 1.00 0.00 C ATOM 788 C LEU A 53 10.313 6.794 1.099 1.00 0.00 C ATOM 789 O LEU A 53 11.442 6.651 0.676 1.00 0.00 O ATOM 790 CB LEU A 53 9.964 7.718 3.380 1.00 0.00 C ATOM 791 CG LEU A 53 9.788 8.905 4.328 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.746 8.424 5.765 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.901 9.924 4.140 1.00 0.00 C ATOM 0 H LEU A 53 7.937 8.595 2.183 1.00 0.00 H new ATOM 0 HA LEU A 53 10.659 8.814 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.180 6.992 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.915 7.238 3.610 1.00 0.00 H new ATOM 0 HG LEU A 53 8.843 9.394 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.620 9.278 6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.910 7.737 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.678 7.911 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.751 10.757 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.863 9.454 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.888 10.292 3.114 1.00 0.00 H new ATOM 805 N TYR A 54 9.367 5.939 0.848 1.00 0.00 N ATOM 806 CA TYR A 54 9.677 4.766 0.114 1.00 0.00 C ATOM 807 C TYR A 54 9.818 5.054 -1.367 1.00 0.00 C ATOM 808 O TYR A 54 10.824 4.738 -1.941 1.00 0.00 O ATOM 809 CB TYR A 54 8.742 3.592 0.454 1.00 0.00 C ATOM 810 CG TYR A 54 9.056 2.933 1.814 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.503 3.678 2.908 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.937 1.567 1.981 1.00 0.00 C ATOM 813 CE1 TYR A 54 9.809 3.075 4.115 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.243 0.956 3.188 1.00 0.00 C ATOM 815 CZ TYR A 54 9.676 1.713 4.249 1.00 0.00 C ATOM 816 OH TYR A 54 9.977 1.110 5.455 1.00 0.00 O ATOM 0 H TYR A 54 8.394 6.035 1.138 1.00 0.00 H new ATOM 0 HA TYR A 54 10.661 4.425 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.712 3.948 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.815 2.840 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.612 4.748 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.598 0.961 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.151 3.671 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.141 -0.114 3.293 1.00 0.00 H new ATOM 0 HH TYR A 54 10.419 0.251 5.290 1.00 0.00 H new ATOM 826 N ALA A 55 8.891 5.787 -1.933 1.00 0.00 N ATOM 827 CA ALA A 55 8.889 6.074 -3.373 1.00 0.00 C ATOM 828 C ALA A 55 9.740 7.314 -3.741 1.00 0.00 C ATOM 829 O ALA A 55 9.597 7.881 -4.823 1.00 0.00 O ATOM 830 CB ALA A 55 7.462 6.229 -3.875 1.00 0.00 C ATOM 0 H ALA A 55 8.113 6.207 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 55 9.355 5.223 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.473 6.442 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.911 5.306 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.978 7.050 -3.347 1.00 0.00 H new ATOM 836 N LYS A 56 10.637 7.704 -2.868 1.00 0.00 N ATOM 837 CA LYS A 56 11.545 8.821 -3.136 1.00 0.00 C ATOM 838 C LYS A 56 12.969 8.475 -2.674 1.00 0.00 C ATOM 839 O LYS A 56 13.943 8.976 -3.223 1.00 0.00 O ATOM 840 CB LYS A 56 11.070 10.093 -2.415 1.00 0.00 C ATOM 841 CG LYS A 56 11.133 11.377 -3.243 1.00 0.00 C ATOM 842 CD LYS A 56 10.207 11.343 -4.470 1.00 0.00 C ATOM 843 CE LYS A 56 8.735 11.166 -4.091 1.00 0.00 C ATOM 844 NZ LYS A 56 7.854 11.228 -5.279 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.767 7.268 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 56 11.548 9.002 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.042 9.942 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.674 10.229 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.862 12.224 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.159 11.541 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.324 12.268 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.510 10.528 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.601 10.208 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.446 11.942 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.864 11.104 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.964 12.151 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.114 10.472 -5.944 1.00 0.00 H new ATOM 858 N SER A 57 13.084 7.608 -1.681 1.00 0.00 N ATOM 859 CA SER A 57 14.386 7.218 -1.151 1.00 0.00 C ATOM 860 C SER A 57 14.829 5.930 -1.864 1.00 0.00 C ATOM 861 O SER A 57 14.339 5.633 -2.927 1.00 0.00 O ATOM 862 CB SER A 57 14.292 7.038 0.385 1.00 0.00 C ATOM 863 OG SER A 57 15.553 6.777 0.990 1.00 0.00 O ATOM 0 H SER A 57 12.291 7.159 -1.223 1.00 0.00 H new ATOM 0 HA SER A 57 15.133 7.990 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.863 7.938 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.611 6.217 0.609 1.00 0.00 H new ATOM 0 HG SER A 57 15.437 6.674 1.958 1.00 0.00 H new ATOM 869 N GLU A 58 15.705 5.154 -1.267 1.00 0.00 N ATOM 870 CA GLU A 58 16.273 3.950 -1.906 1.00 0.00 C ATOM 871 C GLU A 58 15.230 2.833 -2.192 1.00 0.00 C ATOM 872 O GLU A 58 15.570 1.794 -2.746 1.00 0.00 O ATOM 873 CB GLU A 58 17.388 3.370 -1.040 1.00 0.00 C ATOM 874 CG GLU A 58 16.918 2.920 0.336 1.00 0.00 C ATOM 875 CD GLU A 58 17.971 2.166 1.086 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.190 0.976 0.777 1.00 0.00 O1- ATOM 877 OE2 GLU A 58 18.603 2.731 1.996 1.00 0.00 O ATOM 0 H GLU A 58 16.055 5.325 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 58 16.657 4.284 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.835 2.521 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.171 4.119 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.618 3.792 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.035 2.291 0.226 1.00 0.00 H new ATOM 884 N PHE A 59 13.970 3.063 -1.880 1.00 0.00 N ATOM 885 CA PHE A 59 12.988 2.013 -2.005 1.00 0.00 C ATOM 886 C PHE A 59 12.092 2.320 -3.143 1.00 0.00 C ATOM 887 O PHE A 59 11.163 1.596 -3.403 1.00 0.00 O ATOM 888 CB PHE A 59 12.107 1.903 -0.792 1.00 0.00 C ATOM 889 CG PHE A 59 12.807 1.869 0.536 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.209 0.666 1.085 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.041 3.036 1.244 1.00 0.00 C ATOM 892 CE1 PHE A 59 13.831 0.624 2.310 1.00 0.00 C ATOM 893 CE2 PHE A 59 13.666 3.001 2.469 1.00 0.00 C ATOM 894 CZ PHE A 59 14.060 1.791 3.001 1.00 0.00 C ATOM 0 H PHE A 59 13.609 3.955 -1.543 1.00 0.00 H new ATOM 0 HA PHE A 59 13.539 1.083 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.416 2.746 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.507 0.998 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.032 -0.252 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.730 3.984 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.139 -0.323 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.847 3.917 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.550 1.760 3.963 1.00 0.00 H new ATOM 904 N LYS A 60 12.369 3.399 -3.828 1.00 0.00 N ATOM 905 CA LYS A 60 11.540 3.823 -4.945 1.00 0.00 C ATOM 906 C LYS A 60 11.813 2.933 -6.148 1.00 0.00 C ATOM 907 O LYS A 60 11.134 2.984 -7.164 1.00 0.00 O ATOM 908 CB LYS A 60 11.796 5.288 -5.246 1.00 0.00 C ATOM 909 CG LYS A 60 13.214 5.581 -5.577 1.00 0.00 C ATOM 910 CD LYS A 60 13.449 7.010 -5.974 1.00 0.00 C ATOM 911 CE LYS A 60 14.918 7.242 -6.246 1.00 0.00 C ATOM 912 NZ LYS A 60 15.395 6.489 -7.429 1.00 0.00 N1+ ATOM 0 H LYS A 60 13.165 4.008 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 60 10.485 3.721 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.165 5.596 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.500 5.886 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.837 5.344 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.532 4.928 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.865 7.249 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.109 7.676 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.093 8.307 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.498 6.947 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.333 6.841 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.460 5.478 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.727 6.619 -8.216 1.00 0.00 H new ATOM 926 N ASP A 61 12.833 2.140 -5.990 1.00 0.00 N ATOM 927 CA ASP A 61 13.221 1.122 -6.923 1.00 0.00 C ATOM 928 C ASP A 61 12.802 -0.241 -6.343 1.00 0.00 C ATOM 929 O ASP A 61 12.950 -1.284 -6.963 1.00 0.00 O ATOM 930 CB ASP A 61 14.755 1.199 -7.112 1.00 0.00 C ATOM 931 CG ASP A 61 15.347 0.063 -7.910 1.00 0.00 C ATOM 932 OD1 ASP A 61 15.176 0.020 -9.144 1.00 0.00 O ATOM 933 OD2 ASP A 61 16.011 -0.807 -7.306 1.00 0.00 O1- ATOM 0 H ASP A 61 13.442 2.187 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 61 12.741 1.257 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.000 2.139 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.228 1.222 -6.130 1.00 0.00 H new ATOM 938 N ARG A 62 12.211 -0.209 -5.159 1.00 0.00 N ATOM 939 CA ARG A 62 11.896 -1.412 -4.440 1.00 0.00 C ATOM 940 C ARG A 62 10.393 -1.377 -4.069 1.00 0.00 C ATOM 941 O ARG A 62 9.561 -1.101 -4.928 1.00 0.00 O ATOM 942 CB ARG A 62 12.780 -1.400 -3.197 1.00 0.00 C ATOM 943 CG ARG A 62 13.142 -2.754 -2.653 1.00 0.00 C ATOM 944 CD ARG A 62 14.078 -2.607 -1.460 1.00 0.00 C ATOM 945 NE ARG A 62 15.251 -1.763 -1.779 1.00 0.00 N ATOM 946 CZ ARG A 62 16.040 -1.173 -0.866 1.00 0.00 C ATOM 947 NH1 ARG A 62 15.904 -1.464 0.424 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 16.990 -0.331 -1.248 1.00 0.00 N ATOM 0 H ARG A 62 11.942 0.650 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 62 12.075 -2.318 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.699 -0.863 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.271 -0.837 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.240 -3.287 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.621 -3.350 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.533 -2.170 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.416 -3.593 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 62 15.477 -1.619 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.199 -2.137 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.505 -1.014 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.124 -0.129 -2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.587 0.115 -0.551 1.00 0.00 H new ATOM 962 N VAL A 63 10.082 -1.676 -2.805 1.00 0.00 N ATOM 963 CA VAL A 63 8.732 -1.641 -2.228 1.00 0.00 C ATOM 964 C VAL A 63 7.942 -0.407 -2.648 1.00 0.00 C ATOM 965 O VAL A 63 8.407 0.733 -2.521 1.00 0.00 O ATOM 966 CB VAL A 63 8.798 -1.732 -0.655 1.00 0.00 C ATOM 967 CG1 VAL A 63 9.943 -0.918 -0.119 1.00 0.00 C ATOM 968 CG2 VAL A 63 7.501 -1.239 -0.004 1.00 0.00 C ATOM 0 H VAL A 63 10.790 -1.960 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 63 8.204 -2.510 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 63 8.943 -2.784 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.968 -0.996 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.880 -1.292 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.812 0.126 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.585 -1.317 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.328 -0.199 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.666 -1.850 -0.348 1.00 0.00 H new ATOM 978 N VAL A 64 6.765 -0.648 -3.132 1.00 0.00 N ATOM 979 CA VAL A 64 5.907 0.395 -3.577 1.00 0.00 C ATOM 980 C VAL A 64 4.789 0.543 -2.581 1.00 0.00 C ATOM 981 O VAL A 64 4.201 -0.456 -2.147 1.00 0.00 O ATOM 982 CB VAL A 64 5.281 0.084 -4.976 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.352 1.207 -5.434 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.353 -0.142 -6.009 1.00 0.00 C ATOM 0 H VAL A 64 6.372 -1.584 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 64 6.497 1.307 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 64 4.694 -0.828 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.934 0.958 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.543 1.327 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.915 2.138 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.890 -0.356 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.971 0.752 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.975 -0.986 -5.709 1.00 0.00 H new ATOM 994 N ILE A 65 4.523 1.744 -2.169 1.00 0.00 N ATOM 995 CA ILE A 65 3.385 1.969 -1.368 1.00 0.00 C ATOM 996 C ILE A 65 2.317 2.395 -2.350 1.00 0.00 C ATOM 997 O ILE A 65 2.514 3.376 -3.094 1.00 0.00 O ATOM 998 CB ILE A 65 3.659 3.066 -0.301 1.00 0.00 C ATOM 999 CG1 ILE A 65 4.941 2.731 0.492 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.483 3.193 0.658 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.903 1.396 1.219 1.00 0.00 C ATOM 0 H ILE A 65 5.081 2.572 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 65 3.089 1.086 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 65 3.793 4.016 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.788 2.733 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.119 3.522 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.697 3.966 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.586 3.462 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.323 2.242 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.843 1.243 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.080 1.394 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.759 0.592 0.497 1.00 0.00 H new ATOM 1013 N ALA A 66 1.255 1.640 -2.435 1.00 0.00 N ATOM 1014 CA ALA A 66 0.225 1.884 -3.412 1.00 0.00 C ATOM 1015 C ALA A 66 -1.147 1.830 -2.779 1.00 0.00 C ATOM 1016 O ALA A 66 -1.320 1.283 -1.692 1.00 0.00 O ATOM 1017 CB ALA A 66 0.326 0.844 -4.516 1.00 0.00 C ATOM 0 H ALA A 66 1.078 0.838 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 66 0.366 2.882 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.452 1.024 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.304 0.912 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.198 -0.151 -4.091 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.134 2.392 -3.437 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.448 2.313 -2.933 1.00 0.00 C ATOM 1025 C LYS A 67 -4.482 2.474 -3.979 1.00 0.00 C ATOM 1026 O LYS A 67 -4.290 3.200 -4.950 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.688 3.162 -1.692 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.463 4.655 -1.729 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.806 5.132 -0.335 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.698 6.606 -0.087 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.093 6.893 1.329 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.034 2.901 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.555 1.288 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.722 3.000 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.055 2.761 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.431 4.893 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.096 5.132 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.826 4.822 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.154 4.619 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.678 6.945 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.343 7.152 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.202 7.919 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.995 6.420 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.357 6.539 1.973 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.568 1.793 -3.781 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.625 1.731 -4.729 1.00 0.00 C ATOM 1047 C VAL A 68 -7.894 2.198 -4.074 1.00 0.00 C ATOM 1048 O VAL A 68 -8.156 1.919 -2.894 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.815 0.271 -5.272 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.189 -0.677 -4.148 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.876 0.213 -6.367 1.00 0.00 C ATOM 0 H VAL A 68 -5.743 1.253 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.377 2.374 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.862 -0.040 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.316 -1.683 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.398 -0.681 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.122 -0.348 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.980 -0.813 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.830 0.558 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.577 0.853 -7.197 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.657 2.923 -4.795 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.923 3.344 -4.284 1.00 0.00 C ATOM 1063 C ASP A 69 -10.888 2.219 -4.544 1.00 0.00 C ATOM 1064 O ASP A 69 -11.167 1.889 -5.703 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.403 4.633 -4.929 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.646 5.143 -4.274 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.652 4.477 -4.357 1.00 0.00 O1- ATOM 1068 OD2 ASP A 69 -11.620 6.220 -3.663 1.00 0.00 O ATOM 0 H ASP A 69 -8.439 3.242 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.844 3.560 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.620 5.388 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.593 4.462 -5.989 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.382 1.646 -3.482 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.209 0.459 -3.514 1.00 0.00 C ATOM 1075 C ALA A 70 -13.652 0.773 -3.863 1.00 0.00 C ATOM 1076 O ALA A 70 -14.476 -0.137 -4.018 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.145 -0.213 -2.156 1.00 0.00 C ATOM 0 H ALA A 70 -11.219 1.998 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.827 -0.202 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.764 -1.110 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.113 -0.486 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.511 0.473 -1.393 1.00 0.00 H new ATOM 1083 N THR A 71 -13.969 2.029 -3.982 1.00 0.00 N ATOM 1084 CA THR A 71 -15.329 2.407 -4.253 1.00 0.00 C ATOM 1085 C THR A 71 -15.471 3.149 -5.584 1.00 0.00 C ATOM 1086 O THR A 71 -16.583 3.301 -6.108 1.00 0.00 O ATOM 1087 CB THR A 71 -15.951 3.201 -3.066 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.317 3.562 -3.336 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.150 4.443 -2.727 1.00 0.00 C ATOM 0 H THR A 71 -13.312 2.805 -3.897 1.00 0.00 H new ATOM 0 HA THR A 71 -15.901 1.485 -4.355 1.00 0.00 H new ATOM 0 HB THR A 71 -15.925 2.535 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.486 3.504 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.622 4.964 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.136 4.157 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.116 5.102 -3.595 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.373 3.606 -6.118 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.361 4.260 -7.395 1.00 0.00 C ATOM 1099 C ALA A 72 -14.004 3.237 -8.412 1.00 0.00 C ATOM 1100 O ALA A 72 -14.476 3.252 -9.544 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.355 5.402 -7.414 1.00 0.00 C ATOM 0 H ALA A 72 -13.456 3.534 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.339 4.692 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.366 5.881 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.620 6.133 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.357 5.012 -7.212 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.182 2.319 -7.986 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.758 1.245 -8.806 1.00 0.00 C ATOM 1109 C ASN A 73 -13.229 0.001 -8.131 1.00 0.00 C ATOM 1110 O ASN A 73 -12.849 -0.264 -6.989 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.228 1.204 -8.927 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.587 2.535 -9.187 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.405 2.937 -10.322 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.212 3.212 -8.131 1.00 0.00 N ATOM 0 H ASN A 73 -12.789 2.305 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.161 1.353 -9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.815 0.790 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.958 0.522 -9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.748 4.113 -8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.384 2.838 -7.198 1.00 0.00 H new ATOM 1121 N ASP A 74 -14.075 -0.740 -8.782 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.618 -1.931 -8.184 1.00 0.00 C ATOM 1123 C ASP A 74 -13.559 -3.017 -8.171 1.00 0.00 C ATOM 1124 O ASP A 74 -13.062 -3.456 -9.210 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.911 -2.403 -8.894 1.00 0.00 C ATOM 1126 CG ASP A 74 -15.694 -2.986 -10.276 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -15.355 -2.233 -11.219 1.00 0.00 O ATOM 1128 OD2 ASP A 74 -15.893 -4.211 -10.452 1.00 0.00 O1- ATOM 0 H ASP A 74 -14.406 -0.544 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.903 -1.702 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.400 -3.152 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.595 -1.558 -8.973 1.00 0.00 H new ATOM 1133 N VAL A 75 -13.156 -3.391 -7.002 1.00 0.00 N ATOM 1134 CA VAL A 75 -12.172 -4.420 -6.866 1.00 0.00 C ATOM 1135 C VAL A 75 -12.848 -5.757 -6.624 1.00 0.00 C ATOM 1136 O VAL A 75 -13.880 -5.823 -5.964 1.00 0.00 O ATOM 1137 CB VAL A 75 -11.131 -4.131 -5.740 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.364 -2.848 -6.024 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.777 -4.078 -4.356 1.00 0.00 C ATOM 0 H VAL A 75 -13.493 -2.999 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.616 -4.448 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.427 -4.963 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.645 -2.669 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.836 -2.942 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.061 -2.012 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.013 -3.874 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.527 -3.287 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.252 -5.035 -4.140 1.00 0.00 H new ATOM 1149 N PRO A 76 -12.302 -6.831 -7.184 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.830 -8.192 -6.992 1.00 0.00 C ATOM 1151 C PRO A 76 -12.202 -8.839 -5.754 1.00 0.00 C ATOM 1152 O PRO A 76 -12.546 -9.960 -5.351 1.00 0.00 O ATOM 1153 CB PRO A 76 -12.330 -8.886 -8.253 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.988 -8.271 -8.477 1.00 0.00 C ATOM 1155 CD PRO A 76 -11.134 -6.823 -8.102 1.00 0.00 C ATOM 0 HA PRO A 76 -13.909 -8.238 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.260 -9.965 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.997 -8.714 -9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.228 -8.758 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.678 -8.376 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.238 -6.441 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.312 -6.196 -8.976 1.00 0.00 H new ATOM 1163 N ASP A 77 -11.293 -8.091 -5.169 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.491 -8.507 -4.039 1.00 0.00 C ATOM 1165 C ASP A 77 -11.360 -8.638 -2.771 1.00 0.00 C ATOM 1166 O ASP A 77 -12.545 -8.268 -2.764 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.366 -7.488 -3.826 1.00 0.00 C ATOM 1168 CG ASP A 77 -8.124 -8.090 -3.208 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -8.170 -8.532 -2.045 1.00 0.00 O1- ATOM 1170 OD2 ASP A 77 -7.091 -8.148 -3.903 1.00 0.00 O ATOM 0 H ASP A 77 -11.084 -7.142 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.058 -9.486 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.106 -7.039 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.729 -6.684 -3.186 1.00 0.00 H new ATOM 1175 N GLU A 78 -10.770 -9.108 -1.720 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.474 -9.409 -0.505 1.00 0.00 C ATOM 1177 C GLU A 78 -11.217 -8.330 0.544 1.00 0.00 C ATOM 1178 O GLU A 78 -10.075 -8.099 0.953 1.00 0.00 O ATOM 1179 CB GLU A 78 -11.033 -10.778 -0.011 1.00 0.00 C ATOM 1180 CG GLU A 78 -11.714 -11.273 1.240 1.00 0.00 C ATOM 1181 CD GLU A 78 -11.225 -12.639 1.617 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -10.085 -12.755 2.110 1.00 0.00 O ATOM 1183 OE2 GLU A 78 -11.965 -13.625 1.429 1.00 0.00 O1- ATOM 0 H GLU A 78 -9.769 -9.298 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.548 -9.427 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.204 -11.503 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.958 -10.750 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.527 -10.578 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.792 -11.300 1.084 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.277 -7.685 0.952 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.246 -6.606 1.925 1.00 0.00 C ATOM 1192 C ILE A 79 -12.608 -7.167 3.309 1.00 0.00 C ATOM 1193 O ILE A 79 -13.499 -8.013 3.412 1.00 0.00 O ATOM 1194 CB ILE A 79 -13.294 -5.527 1.520 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -13.007 -4.946 0.118 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -13.356 -4.420 2.541 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.727 -4.136 0.020 1.00 0.00 C ATOM 0 H ILE A 79 -13.216 -7.895 0.612 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.251 -6.162 1.956 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.264 -6.023 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.958 -5.766 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -13.845 -4.314 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -14.096 -3.681 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.638 -4.833 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.379 -3.944 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.607 -3.768 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.777 -3.292 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -10.877 -4.766 0.281 1.00 0.00 H new ATOM 1209 N GLN A 80 -11.926 -6.714 4.363 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.236 -7.194 5.718 1.00 0.00 C ATOM 1211 C GLN A 80 -13.239 -6.293 6.453 1.00 0.00 C ATOM 1212 O GLN A 80 -13.829 -6.692 7.453 1.00 0.00 O ATOM 1213 CB GLN A 80 -10.952 -7.497 6.555 1.00 0.00 C ATOM 1214 CG GLN A 80 -9.931 -6.350 6.718 1.00 0.00 C ATOM 1215 CD GLN A 80 -10.352 -5.217 7.657 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.972 -4.075 7.464 1.00 0.00 O ATOM 1217 NE2 GLN A 80 -11.068 -5.531 8.706 1.00 0.00 N ATOM 0 H GLN A 80 -11.171 -6.030 4.312 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.741 -8.152 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.264 -7.816 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.440 -8.342 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.994 -6.771 7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.728 -5.926 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.374 -6.494 8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.320 -4.813 9.385 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.420 -5.094 5.951 1.00 0.00 N ATOM 1227 CA GLY A 81 -14.391 -4.158 6.521 1.00 0.00 C ATOM 1228 C GLY A 81 -14.994 -3.346 5.412 1.00 0.00 C ATOM 1229 O GLY A 81 -15.960 -3.774 4.774 1.00 0.00 O ATOM 0 H GLY A 81 -12.910 -4.732 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.170 -4.702 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.904 -3.504 7.245 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.432 -2.199 5.177 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.718 -1.442 3.983 1.00 0.00 C ATOM 1235 C PHE A 82 -13.384 -1.090 3.331 1.00 0.00 C ATOM 1236 O PHE A 82 -13.207 -1.321 2.137 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.635 -0.215 4.179 1.00 0.00 C ATOM 1238 CG PHE A 82 -16.010 0.426 2.866 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -15.202 1.400 2.276 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -17.166 0.045 2.218 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -15.556 1.965 1.067 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.522 0.609 1.012 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.718 1.570 0.436 1.00 0.00 C ATOM 0 H PHE A 82 -13.761 -1.756 5.804 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.317 -2.069 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.540 -0.519 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.131 0.518 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.294 1.714 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.802 -0.707 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.924 2.715 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.431 0.298 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.998 2.013 -0.508 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.411 -0.504 4.077 1.00 0.00 N ATOM 1254 CA PRO A 83 -11.069 -0.414 3.594 1.00 0.00 C ATOM 1255 C PRO A 83 -10.265 -1.580 4.110 1.00 0.00 C ATOM 1256 O PRO A 83 -10.723 -2.316 4.997 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.538 0.873 4.215 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.642 1.401 5.075 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.521 0.222 5.354 1.00 0.00 C ATOM 0 HA PRO A 83 -11.012 -0.422 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.642 0.681 4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.264 1.594 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.252 1.828 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.194 2.192 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.166 -0.369 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.547 0.514 5.578 1.00 0.00 H new ATOM 1267 N THR A 84 -9.099 -1.758 3.582 1.00 0.00 N ATOM 1268 CA THR A 84 -8.220 -2.839 4.006 1.00 0.00 C ATOM 1269 C THR A 84 -6.805 -2.544 3.520 1.00 0.00 C ATOM 1270 O THR A 84 -6.631 -1.967 2.467 1.00 0.00 O ATOM 1271 CB THR A 84 -8.685 -4.247 3.439 1.00 0.00 C ATOM 1272 OG1 THR A 84 -10.026 -4.569 3.879 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.745 -5.359 3.890 1.00 0.00 C ATOM 0 H THR A 84 -8.714 -1.168 2.844 1.00 0.00 H new ATOM 0 HA THR A 84 -8.255 -2.894 5.094 1.00 0.00 H new ATOM 0 HB THR A 84 -8.666 -4.173 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.298 -3.945 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.088 -6.312 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.738 -5.153 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.736 -5.408 4.979 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.828 -2.878 4.300 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.469 -2.790 3.874 1.00 0.00 C ATOM 1283 C ILE A 85 -3.973 -4.191 3.651 1.00 0.00 C ATOM 1284 O ILE A 85 -4.248 -5.074 4.431 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.550 -2.052 4.890 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.956 -0.581 5.005 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -2.064 -2.175 4.507 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -3.021 0.227 5.863 1.00 0.00 C ATOM 0 H ILE A 85 -5.950 -3.220 5.253 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.433 -2.198 2.959 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.678 -2.530 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.994 -0.142 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.963 -0.520 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.454 -1.647 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.779 -3.227 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.905 -1.738 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.365 1.260 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.001 -0.188 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.018 0.195 5.438 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.310 -4.397 2.587 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.766 -5.674 2.265 1.00 0.00 C ATOM 1302 C LYS A 86 -1.377 -5.509 1.756 1.00 0.00 C ATOM 1303 O LYS A 86 -1.120 -4.667 0.921 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.608 -6.427 1.235 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.929 -6.968 1.740 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.574 -7.869 0.703 1.00 0.00 C ATOM 1307 CE LYS A 86 -6.865 -8.462 1.219 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.446 -9.423 0.268 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.119 -3.675 1.892 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.767 -6.269 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.806 -5.760 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.019 -7.259 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.770 -7.525 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.599 -6.141 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.770 -7.299 -0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.885 -8.670 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.681 -8.960 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.581 -7.663 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.020 -10.119 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.047 -8.917 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.682 -9.913 -0.240 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.493 -6.286 2.259 1.00 0.00 N ATOM 1323 CA LEU A 87 0.862 -6.240 1.836 1.00 0.00 C ATOM 1324 C LEU A 87 1.058 -7.390 0.915 1.00 0.00 C ATOM 1325 O LEU A 87 0.879 -8.542 1.323 1.00 0.00 O ATOM 1326 CB LEU A 87 1.765 -6.342 3.076 1.00 0.00 C ATOM 1327 CG LEU A 87 3.351 -6.281 2.949 1.00 0.00 C ATOM 1328 CD1 LEU A 87 3.926 -7.567 2.432 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.773 -5.157 2.031 1.00 0.00 C ATOM 0 H LEU A 87 -0.687 -6.979 2.982 1.00 0.00 H new ATOM 0 HA LEU A 87 1.112 -5.313 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.469 -5.540 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.521 -7.282 3.571 1.00 0.00 H new ATOM 0 HG LEU A 87 3.735 -6.106 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.010 -7.479 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.671 -8.379 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.515 -7.779 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.860 -5.135 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.347 -5.317 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.416 -4.208 2.430 1.00 0.00 H new ATOM 1341 N TYR A 88 1.327 -7.091 -0.307 1.00 0.00 N ATOM 1342 CA TYR A 88 1.623 -8.077 -1.291 1.00 0.00 C ATOM 1343 C TYR A 88 3.127 -8.134 -1.448 1.00 0.00 C ATOM 1344 O TYR A 88 3.699 -7.289 -2.110 1.00 0.00 O ATOM 1345 CB TYR A 88 0.967 -7.732 -2.636 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.548 -7.819 -2.655 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.349 -6.855 -2.056 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -1.174 -8.882 -3.266 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.728 -6.976 -2.066 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.535 -9.000 -3.288 1.00 0.00 C ATOM 1351 CZ TYR A 88 -3.306 -8.055 -2.689 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.656 -8.227 -2.664 1.00 0.00 O ATOM 0 H TYR A 88 1.348 -6.134 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 88 1.229 -9.043 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.261 -6.721 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.363 -8.403 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.891 -6.002 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.573 -9.643 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.344 -6.229 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.997 -9.843 -3.781 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.028 -8.021 -3.547 1.00 0.00 H new ATOM 1362 N PRO A 89 3.807 -9.070 -0.763 1.00 0.00 N ATOM 1363 CA PRO A 89 5.245 -9.167 -0.820 1.00 0.00 C ATOM 1364 C PRO A 89 5.721 -9.515 -2.156 1.00 0.00 C ATOM 1365 O PRO A 89 4.988 -10.140 -2.967 1.00 0.00 O ATOM 1366 CB PRO A 89 5.589 -10.354 0.052 1.00 0.00 C ATOM 1367 CG PRO A 89 4.322 -11.073 0.255 1.00 0.00 C ATOM 1368 CD PRO A 89 3.251 -10.065 0.129 1.00 0.00 C ATOM 0 HA PRO A 89 5.686 -8.216 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.330 -10.993 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.014 -10.032 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.201 -11.864 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.297 -11.547 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.339 -10.501 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.993 -9.634 1.096 1.00 0.00 H new ATOM 1376 N ALA A 90 6.949 -9.231 -2.377 1.00 0.00 N ATOM 1377 CA ALA A 90 7.569 -9.639 -3.561 1.00 0.00 C ATOM 1378 C ALA A 90 7.935 -11.082 -3.425 1.00 0.00 C ATOM 1379 O ALA A 90 9.050 -11.446 -3.031 1.00 0.00 O ATOM 1380 CB ALA A 90 8.787 -8.813 -3.857 1.00 0.00 C ATOM 0 H ALA A 90 7.546 -8.708 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 90 6.880 -9.501 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.244 -9.158 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.500 -7.766 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.502 -8.914 -3.041 1.00 0.00 H new ATOM 1386 N GLY A 91 6.929 -11.872 -3.593 1.00 0.00 N ATOM 1387 CA GLY A 91 7.093 -13.276 -3.728 1.00 0.00 C ATOM 1388 C GLY A 91 5.881 -13.992 -3.264 1.00 0.00 C ATOM 1389 O GLY A 91 5.494 -14.999 -3.831 1.00 0.00 O ATOM 0 H GLY A 91 5.960 -11.556 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.292 -13.525 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.958 -13.603 -3.151 1.00 0.00 H new ATOM 1393 N ALA A 92 5.226 -13.437 -2.273 1.00 0.00 N ATOM 1394 CA ALA A 92 4.082 -14.106 -1.678 1.00 0.00 C ATOM 1395 C ALA A 92 2.824 -13.241 -1.765 1.00 0.00 C ATOM 1396 O ALA A 92 1.963 -13.267 -0.890 1.00 0.00 O ATOM 1397 CB ALA A 92 4.411 -14.495 -0.239 1.00 0.00 C ATOM 0 H ALA A 92 5.458 -12.533 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 92 3.869 -15.016 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.553 -14.997 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.269 -15.167 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.647 -13.599 0.335 1.00 0.00 H new ATOM 1403 N LYS A 93 2.692 -12.534 -2.871 1.00 0.00 N ATOM 1404 CA LYS A 93 1.554 -11.628 -3.151 1.00 0.00 C ATOM 1405 C LYS A 93 0.214 -12.396 -3.378 1.00 0.00 C ATOM 1406 O LYS A 93 -0.746 -11.848 -3.893 1.00 0.00 O ATOM 1407 CB LYS A 93 1.852 -10.724 -4.384 1.00 0.00 C ATOM 1408 CG LYS A 93 2.020 -11.425 -5.723 1.00 0.00 C ATOM 1409 CD LYS A 93 3.382 -12.047 -5.895 1.00 0.00 C ATOM 1410 CE LYS A 93 3.512 -12.648 -7.264 1.00 0.00 C ATOM 1411 NZ LYS A 93 3.162 -11.674 -8.333 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.377 -12.562 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 93 1.434 -11.007 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.042 -10.000 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.762 -10.159 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.258 -12.199 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.850 -10.708 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.155 -11.293 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.537 -12.815 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.534 -12.997 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.863 -13.520 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.756 -11.848 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.161 -11.786 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.325 -10.706 -7.988 1.00 0.00 H new ATOM 1425 N GLY A 94 0.170 -13.639 -2.975 1.00 0.00 N ATOM 1426 CA GLY A 94 -1.015 -14.447 -3.097 1.00 0.00 C ATOM 1427 C GLY A 94 -1.504 -14.848 -1.730 1.00 0.00 C ATOM 1428 O GLY A 94 -2.545 -15.490 -1.578 1.00 0.00 O ATOM 0 H GLY A 94 0.961 -14.122 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.792 -13.892 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.801 -15.335 -3.691 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.754 -14.443 -0.724 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.111 -14.666 0.648 1.00 0.00 C ATOM 1434 C GLN A 95 -0.880 -13.348 1.487 1.00 0.00 C ATOM 1435 O GLN A 95 -0.380 -13.406 2.614 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.260 -15.818 1.161 1.00 0.00 C ATOM 1437 CG GLN A 95 1.227 -15.512 1.300 1.00 0.00 C ATOM 1438 CD GLN A 95 2.041 -16.711 1.710 1.00 0.00 C ATOM 1439 OE1 GLN A 95 1.739 -17.839 1.343 1.00 0.00 O ATOM 1440 NE2 GLN A 95 3.049 -16.488 2.503 1.00 0.00 N ATOM 0 H GLN A 95 0.128 -13.945 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.166 -14.923 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.644 -16.128 2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.379 -16.666 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.604 -15.132 0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.362 -14.720 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.272 -15.535 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.616 -17.267 2.839 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.328 -12.141 0.952 1.00 0.00 N ATOM 1450 CA PRO A 96 -1.095 -10.812 1.565 1.00 0.00 C ATOM 1451 C PRO A 96 -1.322 -10.733 3.045 1.00 0.00 C ATOM 1452 O PRO A 96 -2.135 -11.492 3.622 1.00 0.00 O ATOM 1453 CB PRO A 96 -2.155 -9.960 0.924 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.325 -10.520 -0.411 1.00 0.00 C ATOM 1455 CD PRO A 96 -2.123 -11.986 -0.281 1.00 0.00 C ATOM 0 HA PRO A 96 -0.054 -10.527 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.086 -9.995 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.849 -8.915 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.318 -10.298 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.605 -10.089 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.074 -12.513 -0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.598 -12.393 -1.145 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.683 -9.777 3.666 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.888 -9.585 5.033 1.00 0.00 C ATOM 1465 C VAL A 97 -2.007 -8.585 5.132 1.00 0.00 C ATOM 1466 O VAL A 97 -1.813 -7.399 4.860 1.00 0.00 O ATOM 1467 CB VAL A 97 0.384 -9.080 5.726 1.00 0.00 C ATOM 1468 CG1 VAL A 97 0.169 -8.968 7.220 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.554 -10.009 5.421 1.00 0.00 C ATOM 0 H VAL A 97 -0.023 -9.134 3.228 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.141 -10.518 5.536 1.00 0.00 H new ATOM 0 HB VAL A 97 0.618 -8.087 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.083 -8.608 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.643 -8.268 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.088 -9.947 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.451 -9.640 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.326 -11.012 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.723 -10.040 4.345 1.00 0.00 H new ATOM 1479 N THR A 98 -3.189 -9.111 5.329 1.00 0.00 N ATOM 1480 CA THR A 98 -4.381 -8.322 5.432 1.00 0.00 C ATOM 1481 C THR A 98 -4.445 -7.634 6.796 1.00 0.00 C ATOM 1482 O THR A 98 -4.299 -8.272 7.859 1.00 0.00 O ATOM 1483 CB THR A 98 -5.650 -9.169 5.114 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.839 -8.381 5.200 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.762 -10.383 6.020 1.00 0.00 C ATOM 0 H THR A 98 -3.348 -10.114 5.423 1.00 0.00 H new ATOM 0 HA THR A 98 -4.351 -7.535 4.679 1.00 0.00 H new ATOM 0 HB THR A 98 -5.541 -9.521 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.617 -8.940 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.660 -10.946 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.886 -11.018 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.820 -10.058 7.059 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.636 -6.360 6.745 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.561 -5.495 7.865 1.00 0.00 C ATOM 1495 C TYR A 99 -5.682 -4.476 7.818 1.00 0.00 C ATOM 1496 O TYR A 99 -6.127 -4.091 6.743 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.235 -4.761 7.753 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.274 -5.027 8.878 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.530 -6.198 8.903 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.098 -4.118 9.908 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -0.639 -6.459 9.925 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -1.207 -4.369 10.935 1.00 0.00 C ATOM 1503 CZ TYR A 99 -0.481 -5.539 10.939 1.00 0.00 C ATOM 1504 OH TYR A 99 0.406 -5.790 11.969 1.00 0.00 O ATOM 0 H TYR A 99 -4.859 -5.873 5.877 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.644 -6.060 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.759 -5.040 6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.431 -3.690 7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.650 -6.919 8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.665 -3.199 9.909 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.070 -7.377 9.930 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.081 -3.650 11.731 1.00 0.00 H new ATOM 0 HH TYR A 99 0.396 -5.040 12.599 1.00 0.00 H new ATOM 1514 N SER A 100 -6.134 -4.054 8.963 1.00 0.00 N ATOM 1515 CA SER A 100 -7.111 -3.006 9.048 1.00 0.00 C ATOM 1516 C SER A 100 -6.407 -1.640 8.988 1.00 0.00 C ATOM 1517 O SER A 100 -6.961 -0.652 8.490 1.00 0.00 O ATOM 1518 CB SER A 100 -7.908 -3.155 10.338 1.00 0.00 C ATOM 1519 OG SER A 100 -8.514 -4.440 10.397 1.00 0.00 O ATOM 0 H SER A 100 -5.836 -4.426 9.865 1.00 0.00 H new ATOM 0 HA SER A 100 -7.802 -3.074 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.252 -3.015 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.674 -2.381 10.392 1.00 0.00 H new ATOM 0 HG SER A 100 -9.022 -4.524 11.231 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.180 -1.593 9.485 1.00 0.00 N ATOM 1526 CA GLY A 101 -4.404 -0.378 9.445 1.00 0.00 C ATOM 1527 C GLY A 101 -4.187 0.188 10.823 1.00 0.00 C ATOM 1528 O GLY A 101 -5.092 0.789 11.396 1.00 0.00 O ATOM 0 H GLY A 101 -4.707 -2.386 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.440 -0.577 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.913 0.359 8.825 1.00 0.00 H new ATOM 1532 N SER A 102 -2.980 0.020 11.332 1.00 0.00 N ATOM 1533 CA SER A 102 -2.605 0.429 12.688 1.00 0.00 C ATOM 1534 C SER A 102 -2.528 1.962 12.861 1.00 0.00 C ATOM 1535 O SER A 102 -2.301 2.447 13.968 1.00 0.00 O ATOM 1536 CB SER A 102 -1.254 -0.192 13.013 1.00 0.00 C ATOM 1537 OG SER A 102 -1.229 -1.572 12.661 1.00 0.00 O ATOM 0 H SER A 102 -2.215 -0.411 10.812 1.00 0.00 H new ATOM 0 HA SER A 102 -3.380 0.082 13.371 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.467 0.338 12.476 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.045 -0.080 14.077 1.00 0.00 H new ATOM 0 HG SER A 102 -0.300 -1.880 12.612 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.688 2.704 11.753 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.669 4.179 11.744 1.00 0.00 C ATOM 1545 C ARG A 103 -1.268 4.709 12.168 1.00 0.00 C ATOM 1546 O ARG A 103 -1.109 5.827 12.648 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.793 4.749 12.650 1.00 0.00 C ATOM 1548 CG ARG A 103 -3.997 6.257 12.538 1.00 0.00 C ATOM 1549 CD ARG A 103 -4.968 6.773 13.572 1.00 0.00 C ATOM 1550 NE ARG A 103 -4.501 6.521 14.945 1.00 0.00 N ATOM 1551 CZ ARG A 103 -4.872 7.232 16.012 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -5.632 8.307 15.860 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -4.456 6.879 17.221 1.00 0.00 N ATOM 0 H ARG A 103 -2.835 2.295 10.830 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.861 4.523 10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.730 4.250 12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.565 4.503 13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.039 6.763 12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.365 6.500 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.113 7.844 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.938 6.298 13.427 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.849 5.750 15.091 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.933 8.591 14.928 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.916 8.850 16.675 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.853 6.064 17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.739 7.422 18.037 1.00 0.00 H new ATOM 1567 N THR A 104 -0.269 3.943 11.890 1.00 0.00 N ATOM 1568 CA THR A 104 1.086 4.269 12.241 1.00 0.00 C ATOM 1569 C THR A 104 2.010 4.278 11.012 1.00 0.00 C ATOM 1570 O THR A 104 1.665 3.730 9.976 1.00 0.00 O ATOM 1571 CB THR A 104 1.551 3.208 13.212 1.00 0.00 C ATOM 1572 OG1 THR A 104 1.101 1.946 12.712 1.00 0.00 O ATOM 1573 CG2 THR A 104 0.947 3.438 14.561 1.00 0.00 C ATOM 0 H THR A 104 -0.365 3.052 11.402 1.00 0.00 H new ATOM 0 HA THR A 104 1.123 5.268 12.675 1.00 0.00 H new ATOM 0 HB THR A 104 2.636 3.236 13.307 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.035 1.306 13.451 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.291 2.666 15.250 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.249 4.417 14.933 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.140 3.398 14.485 1.00 0.00 H new ATOM 1581 N VAL A 105 3.144 4.958 11.131 1.00 0.00 N ATOM 1582 CA VAL A 105 4.186 4.973 10.111 1.00 0.00 C ATOM 1583 C VAL A 105 5.240 3.928 10.458 1.00 0.00 C ATOM 1584 O VAL A 105 5.724 3.203 9.600 1.00 0.00 O ATOM 1585 CB VAL A 105 4.919 6.346 10.060 1.00 0.00 C ATOM 1586 CG1 VAL A 105 5.985 6.344 8.972 1.00 0.00 C ATOM 1587 CG2 VAL A 105 3.952 7.487 9.843 1.00 0.00 C ATOM 0 H VAL A 105 3.369 5.523 11.950 1.00 0.00 H new ATOM 0 HA VAL A 105 3.706 4.774 9.153 1.00 0.00 H new ATOM 0 HB VAL A 105 5.400 6.496 11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.486 7.312 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.715 5.562 9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.518 6.157 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.501 8.428 9.813 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.426 7.344 8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.231 7.513 10.660 1.00 0.00 H new ATOM 1597 N GLU A 106 5.558 3.841 11.744 1.00 0.00 N ATOM 1598 CA GLU A 106 6.644 2.972 12.241 1.00 0.00 C ATOM 1599 C GLU A 106 6.301 1.548 12.010 1.00 0.00 C ATOM 1600 O GLU A 106 7.124 0.722 11.611 1.00 0.00 O ATOM 1601 CB GLU A 106 6.807 3.176 13.718 1.00 0.00 C ATOM 1602 CG GLU A 106 6.841 4.609 14.081 1.00 0.00 C ATOM 1603 CD GLU A 106 7.182 4.830 15.519 1.00 0.00 C ATOM 1604 OE1 GLU A 106 6.293 4.697 16.379 1.00 0.00 O ATOM 1605 OE2 GLU A 106 8.334 5.142 15.824 1.00 0.00 O1- ATOM 0 H GLU A 106 5.079 4.364 12.477 1.00 0.00 H new ATOM 0 HA GLU A 106 7.564 3.225 11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.986 2.689 14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.728 2.696 14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.572 5.121 13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.870 5.057 13.869 1.00 0.00 H new ATOM 1612 N ASP A 107 5.064 1.294 12.208 1.00 0.00 N ATOM 1613 CA ASP A 107 4.532 -0.041 12.088 1.00 0.00 C ATOM 1614 C ASP A 107 4.389 -0.394 10.620 1.00 0.00 C ATOM 1615 O ASP A 107 4.408 -1.546 10.253 1.00 0.00 O ATOM 1616 CB ASP A 107 3.217 -0.156 12.842 1.00 0.00 C ATOM 1617 CG ASP A 107 2.694 -1.566 12.976 1.00 0.00 C ATOM 1618 OD1 ASP A 107 3.452 -2.463 13.439 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 1.505 -1.795 12.696 1.00 0.00 O ATOM 0 H ASP A 107 4.373 2.000 12.461 1.00 0.00 H new ATOM 0 HA ASP A 107 5.218 -0.758 12.539 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.346 0.267 13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.467 0.450 12.333 1.00 0.00 H new ATOM 1624 N LEU A 108 4.307 0.636 9.774 1.00 0.00 N ATOM 1625 CA LEU A 108 4.301 0.447 8.328 1.00 0.00 C ATOM 1626 C LEU A 108 5.649 0.030 7.862 1.00 0.00 C ATOM 1627 O LEU A 108 5.772 -0.876 7.056 1.00 0.00 O ATOM 1628 CB LEU A 108 3.879 1.690 7.575 1.00 0.00 C ATOM 1629 CG LEU A 108 2.393 1.947 7.484 1.00 0.00 C ATOM 1630 CD1 LEU A 108 2.128 3.212 6.676 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.696 0.752 6.844 1.00 0.00 C ATOM 0 H LEU A 108 4.244 1.610 10.070 1.00 0.00 H new ATOM 0 HA LEU A 108 3.567 -0.331 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.347 2.553 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.278 1.628 6.562 1.00 0.00 H new ATOM 0 HG LEU A 108 1.995 2.087 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.054 3.388 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.608 4.061 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.532 3.093 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.625 0.946 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.094 0.592 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.870 -0.138 7.449 1.00 0.00 H new ATOM 1643 N ILE A 109 6.654 0.699 8.363 1.00 0.00 N ATOM 1644 CA ILE A 109 8.023 0.327 8.109 1.00 0.00 C ATOM 1645 C ILE A 109 8.212 -1.161 8.481 1.00 0.00 C ATOM 1646 O ILE A 109 8.534 -1.991 7.627 1.00 0.00 O ATOM 1647 CB ILE A 109 8.935 1.239 8.949 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.776 2.685 8.467 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.398 0.796 8.873 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.259 3.732 9.433 1.00 0.00 C ATOM 0 H ILE A 109 6.547 1.519 8.960 1.00 0.00 H new ATOM 0 HA ILE A 109 8.280 0.450 7.057 1.00 0.00 H new ATOM 0 HB ILE A 109 8.637 1.168 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.317 2.801 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.723 2.867 8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 109 11.012 1.463 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.490 -0.223 9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.736 0.832 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.105 4.722 9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.702 3.651 10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.321 3.583 9.630 1.00 0.00 H new ATOM 1662 N LYS A 110 7.834 -1.513 9.711 1.00 0.00 N ATOM 1663 CA LYS A 110 7.964 -2.874 10.202 1.00 0.00 C ATOM 1664 C LYS A 110 7.014 -3.813 9.540 1.00 0.00 C ATOM 1665 O LYS A 110 7.173 -5.022 9.617 1.00 0.00 O ATOM 1666 CB LYS A 110 7.802 -2.957 11.699 1.00 0.00 C ATOM 1667 CG LYS A 110 9.073 -2.721 12.459 1.00 0.00 C ATOM 1668 CD LYS A 110 10.085 -3.819 12.191 1.00 0.00 C ATOM 1669 CE LYS A 110 11.231 -3.765 13.174 1.00 0.00 C ATOM 1670 NZ LYS A 110 12.252 -4.791 12.876 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.432 -0.863 10.386 1.00 0.00 H new ATOM 0 HA LYS A 110 8.978 -3.180 9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.059 -2.225 12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.411 -3.941 11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.495 -1.757 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.858 -2.674 13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.595 -4.791 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.470 -3.721 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.689 -2.776 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.851 -3.912 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.914 -4.864 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.788 -5.710 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.773 -4.523 12.017 1.00 0.00 H new ATOM 1684 N PHE A 111 6.055 -3.270 8.867 1.00 0.00 N ATOM 1685 CA PHE A 111 5.092 -4.050 8.195 1.00 0.00 C ATOM 1686 C PHE A 111 5.787 -4.657 7.047 1.00 0.00 C ATOM 1687 O PHE A 111 6.057 -5.809 7.044 1.00 0.00 O ATOM 1688 CB PHE A 111 4.026 -3.154 7.708 1.00 0.00 C ATOM 1689 CG PHE A 111 2.712 -3.754 7.310 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.636 -4.973 6.680 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.549 -3.052 7.532 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.434 -5.483 6.285 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.339 -3.558 7.141 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.282 -4.780 6.512 1.00 0.00 C ATOM 0 H PHE A 111 5.924 -2.263 8.772 1.00 0.00 H new ATOM 0 HA PHE A 111 4.652 -4.812 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.831 -2.417 8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.417 -2.612 6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.540 -5.535 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.592 -2.090 8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.391 -6.443 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.567 -3.000 7.326 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.669 -5.184 6.198 1.00 0.00 H new ATOM 1704 N ILE A 112 6.230 -3.832 6.164 1.00 0.00 N ATOM 1705 CA ILE A 112 6.879 -4.277 4.949 1.00 0.00 C ATOM 1706 C ILE A 112 8.243 -4.882 5.318 1.00 0.00 C ATOM 1707 O ILE A 112 8.873 -5.591 4.557 1.00 0.00 O ATOM 1708 CB ILE A 112 7.136 -3.080 4.035 1.00 0.00 C ATOM 1709 CG1 ILE A 112 5.933 -2.169 4.007 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.372 -3.580 2.640 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.297 -0.716 4.042 1.00 0.00 C ATOM 0 H ILE A 112 6.159 -2.818 6.252 1.00 0.00 H new ATOM 0 HA ILE A 112 6.244 -5.006 4.446 1.00 0.00 H new ATOM 0 HB ILE A 112 8.000 -2.531 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.352 -2.371 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.291 -2.398 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.557 -2.735 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.237 -4.243 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.494 -4.126 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.389 -0.113 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.852 -0.502 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.914 -0.475 3.177 1.00 0.00 H new ATOM 1723 N ALA A 113 8.640 -4.648 6.517 1.00 0.00 N ATOM 1724 CA ALA A 113 9.955 -5.080 6.953 1.00 0.00 C ATOM 1725 C ALA A 113 9.944 -6.463 7.494 1.00 0.00 C ATOM 1726 O ALA A 113 10.949 -7.126 7.476 1.00 0.00 O ATOM 1727 CB ALA A 113 10.559 -4.162 7.972 1.00 0.00 C ATOM 0 H ALA A 113 8.089 -4.163 7.225 1.00 0.00 H new ATOM 0 HA ALA A 113 10.572 -5.055 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.542 -4.535 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.661 -3.163 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.915 -4.119 8.850 1.00 0.00 H new ATOM 1733 N GLU A 114 8.836 -6.887 8.028 1.00 0.00 N ATOM 1734 CA GLU A 114 8.782 -8.231 8.585 1.00 0.00 C ATOM 1735 C GLU A 114 7.845 -9.074 7.779 1.00 0.00 C ATOM 1736 O GLU A 114 7.986 -10.290 7.675 1.00 0.00 O ATOM 1737 CB GLU A 114 8.318 -8.142 10.012 1.00 0.00 C ATOM 1738 CG GLU A 114 9.164 -7.191 10.827 1.00 0.00 C ATOM 1739 CD GLU A 114 10.533 -7.723 11.223 1.00 0.00 C ATOM 1740 OE1 GLU A 114 10.972 -8.786 10.727 1.00 0.00 O ATOM 1741 OE2 GLU A 114 11.210 -7.075 12.042 1.00 0.00 O1- ATOM 0 H GLU A 114 7.973 -6.348 8.095 1.00 0.00 H new ATOM 0 HA GLU A 114 9.769 -8.692 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.279 -7.813 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.349 -9.133 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.299 -6.271 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.618 -6.928 11.733 1.00 0.00 H new ATOM 1748 N ASN A 115 6.908 -8.409 7.192 1.00 0.00 N ATOM 1749 CA ASN A 115 5.904 -9.005 6.392 1.00 0.00 C ATOM 1750 C ASN A 115 6.361 -8.999 4.974 1.00 0.00 C ATOM 1751 O ASN A 115 5.959 -9.849 4.172 1.00 0.00 O ATOM 1752 CB ASN A 115 4.653 -8.170 6.512 1.00 0.00 C ATOM 1753 CG ASN A 115 3.975 -8.224 7.857 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.178 -9.095 8.134 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.274 -7.263 8.688 1.00 0.00 N ATOM 0 H ASN A 115 6.821 -7.395 7.262 1.00 0.00 H new ATOM 0 HA ASN A 115 5.708 -10.028 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.904 -7.133 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.943 -8.495 5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.832 -7.227 9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.950 -6.548 8.419 1.00 0.00 H new ATOM 1762 N GLY A 116 7.202 -8.025 4.653 1.00 0.00 N ATOM 1763 CA GLY A 116 7.706 -7.927 3.344 1.00 0.00 C ATOM 1764 C GLY A 116 8.800 -8.915 3.122 1.00 0.00 C ATOM 1765 O GLY A 116 9.385 -9.389 4.086 1.00 0.00 O ATOM 0 H GLY A 116 7.532 -7.307 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.903 -8.099 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.080 -6.918 3.168 1.00 0.00 H new ATOM 1769 N LYS A 117 9.108 -9.236 1.892 1.00 0.00 N ATOM 1770 CA LYS A 117 10.167 -10.194 1.662 1.00 0.00 C ATOM 1771 C LYS A 117 11.441 -9.481 1.458 1.00 0.00 C ATOM 1772 O LYS A 117 12.537 -10.028 1.668 1.00 0.00 O ATOM 1773 CB LYS A 117 9.909 -11.101 0.495 1.00 0.00 C ATOM 1774 CG LYS A 117 8.758 -12.076 0.710 1.00 0.00 C ATOM 1775 CD LYS A 117 8.697 -13.149 -0.375 1.00 0.00 C ATOM 1776 CE LYS A 117 9.963 -14.008 -0.391 1.00 0.00 C ATOM 1777 NZ LYS A 117 9.892 -15.119 -1.364 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.659 -8.864 1.055 1.00 0.00 H new ATOM 0 HA LYS A 117 10.214 -10.827 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.697 -10.493 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.816 -11.667 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.866 -12.553 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.817 -11.526 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.827 -13.785 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.566 -12.676 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.820 -13.378 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.133 -14.415 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 10.776 -15.666 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.092 -15.739 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.758 -14.734 -2.321 1.00 0.00 H new ATOM 1791 N TYR A 118 11.322 -8.262 1.048 1.00 0.00 N ATOM 1792 CA TYR A 118 12.450 -7.442 0.874 1.00 0.00 C ATOM 1793 C TYR A 118 12.928 -6.931 2.212 1.00 0.00 C ATOM 1794 O TYR A 118 14.061 -6.431 2.319 1.00 0.00 O ATOM 1795 CB TYR A 118 12.156 -6.286 -0.050 1.00 0.00 C ATOM 1796 CG TYR A 118 12.538 -6.492 -1.489 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.830 -6.224 -1.922 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.613 -6.916 -2.419 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.188 -6.379 -3.246 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.959 -7.068 -3.744 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.249 -6.798 -4.155 1.00 0.00 C ATOM 1802 OH TYR A 118 13.591 -6.926 -5.490 1.00 0.00 O ATOM 0 H TYR A 118 10.432 -7.815 0.826 1.00 0.00 H new ATOM 0 HA TYR A 118 13.235 -8.043 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.089 -6.069 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.677 -5.404 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.569 -5.888 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.603 -7.132 -2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.199 -6.172 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.222 -7.398 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 118 12.897 -7.435 -5.958 1.00 0.00 H new ATOM 1812 N LYS A 119 12.049 -7.049 3.240 1.00 0.00 N ATOM 1813 CA LYS A 119 12.346 -6.633 4.586 1.00 0.00 C ATOM 1814 C LYS A 119 12.738 -5.164 4.563 1.00 0.00 C ATOM 1815 O LYS A 119 13.871 -4.786 4.914 1.00 0.00 O ATOM 1816 CB LYS A 119 13.455 -7.513 5.204 1.00 0.00 C ATOM 1817 CG LYS A 119 13.191 -9.029 5.130 1.00 0.00 C ATOM 1818 CD LYS A 119 11.900 -9.398 5.833 1.00 0.00 C ATOM 1819 CE LYS A 119 11.566 -10.874 5.724 1.00 0.00 C ATOM 1820 NZ LYS A 119 12.553 -11.727 6.394 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.114 -7.442 3.131 1.00 0.00 H new ATOM 0 HA LYS A 119 11.465 -6.756 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.396 -7.297 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.583 -7.231 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.142 -9.341 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.022 -9.568 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.975 -9.125 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.083 -8.814 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.582 -11.053 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.506 -11.152 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.235 -12.717 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.470 -11.643 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.655 -11.427 7.385 1.00 0.00 H new ATOM 1834 N ALA A 120 11.805 -4.358 4.080 1.00 0.00 N ATOM 1835 CA ALA A 120 12.017 -2.939 3.831 1.00 0.00 C ATOM 1836 C ALA A 120 12.169 -2.086 5.082 1.00 0.00 C ATOM 1837 O ALA A 120 11.229 -1.417 5.526 1.00 0.00 O ATOM 1838 CB ALA A 120 10.956 -2.384 2.913 1.00 0.00 C ATOM 0 H ALA A 120 10.864 -4.676 3.846 1.00 0.00 H new ATOM 0 HA ALA A 120 12.985 -2.879 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.139 -1.323 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.986 -2.913 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.975 -2.515 3.370 1.00 0.00 H new ATOM 1844 N ALA A 121 13.344 -2.151 5.633 1.00 0.00 N ATOM 1845 CA ALA A 121 13.769 -1.383 6.760 1.00 0.00 C ATOM 1846 C ALA A 121 15.272 -1.452 6.764 1.00 0.00 C ATOM 1847 O ALA A 121 15.845 -2.258 7.529 1.00 0.00 O ATOM 1848 CB ALA A 121 13.205 -1.952 8.055 1.00 0.00 C ATOM 1849 OXT ALA A 121 15.893 -0.792 5.900 1.00 0.00 O ATOM 0 H ALA A 121 14.071 -2.777 5.287 1.00 0.00 H new ATOM 0 HA ALA A 121 13.413 -0.355 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.545 -1.348 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.116 -1.938 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.550 -2.978 8.182 1.00 0.00 H new