USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 818 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 41 GLN : amide:sc= 0.818 K(o=1.8,f=-3.4!) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -178:sc= 0.973 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -175:sc= 2.86 (180deg=2.31) USER MOD Set 2.2: A 109 SER OG : rot 79:sc= 1.11 USER MOD Set 3.1: A 17 SER OG : rot -63:sc= 1.33 USER MOD Set 3.2: A 18 HIS : no HE2:sc= -0.1 K(o=1.2,f=-0.026) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 24 MET CE :methyl -165:sc= -0.129 (180deg=-0.524) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.78 (180deg=1.75) USER MOD Single : A 32 GLN : amide:sc= 1.44 K(o=1.4,f=-0.048) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.00869 K(o=0.0087,f=-2.3!) USER MOD Single : A 38 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 45 SER OG : rot -73:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc=-0.00511 K(o=-0.0051,f=-0.87) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 54 ASN : amide:sc= 0.385 K(o=0.39,f=-5.2!) USER MOD Single : A 58 ASN : amide:sc= 0.319 K(o=0.32,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 71:sc= 1.23 USER MOD Single : A 70 SER OG : rot -29:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.337 K(o=0.34,f=-0.17) USER MOD Single : A 78 TYR OH : rot -91:sc= 0.0361 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.24 USER MOD Single : A 90 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 77:sc= 1.21 USER MOD Single : A 100 GLN : amide:sc= 0.781 K(o=0.78,f=-0.36) USER MOD Single : A 102 GLN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -123:sc= 0.00586 (180deg=0) USER MOD Single : A 107 MET CE :methyl -179:sc= -0.0961 (180deg=-0.0983) USER MOD Single : A 108 CYS SG : rot 80:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -4.068 8.533 -9.051 1.00 0.00 N ATOM 78 CA ALA A 6 -4.395 9.940 -8.812 1.00 0.00 C ATOM 79 C ALA A 6 -3.346 10.674 -7.956 1.00 0.00 C ATOM 80 O ALA A 6 -3.027 11.826 -8.256 1.00 0.00 O ATOM 81 CB ALA A 6 -5.787 9.994 -8.165 1.00 0.00 C ATOM 0 HA ALA A 6 -4.393 10.467 -9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.060 11.032 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.518 9.544 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.772 9.444 -7.224 1.00 0.00 H new ATOM 87 N LEU A 7 -2.768 10.014 -6.942 1.00 0.00 N ATOM 88 CA LEU A 7 -1.691 10.568 -6.108 1.00 0.00 C ATOM 89 C LEU A 7 -0.471 10.883 -6.974 1.00 0.00 C ATOM 90 O LEU A 7 -0.038 12.031 -7.040 1.00 0.00 O ATOM 91 CB LEU A 7 -1.400 9.572 -4.962 1.00 0.00 C ATOM 92 CG LEU A 7 -0.307 9.979 -3.943 1.00 0.00 C ATOM 93 CD1 LEU A 7 -0.492 9.146 -2.665 1.00 0.00 C ATOM 94 CD2 LEU A 7 1.132 9.749 -4.443 1.00 0.00 C ATOM 0 H LEU A 7 -3.039 9.068 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.985 11.514 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.328 9.403 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.113 8.619 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.428 11.049 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.271 9.422 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.480 9.338 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.399 8.087 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.839 10.058 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.276 8.691 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.301 10.334 -5.347 1.00 0.00 H new ATOM 106 N LYS A 8 0.048 9.884 -7.695 1.00 0.00 N ATOM 107 CA LYS A 8 1.243 10.053 -8.528 1.00 0.00 C ATOM 108 C LYS A 8 1.021 11.080 -9.655 1.00 0.00 C ATOM 109 O LYS A 8 1.900 11.901 -9.909 1.00 0.00 O ATOM 110 CB LYS A 8 1.676 8.672 -9.049 1.00 0.00 C ATOM 111 CG LYS A 8 3.051 8.749 -9.733 1.00 0.00 C ATOM 112 CD LYS A 8 3.609 7.361 -10.070 1.00 0.00 C ATOM 113 CE LYS A 8 5.016 7.452 -10.690 1.00 0.00 C ATOM 114 NZ LYS A 8 4.990 7.888 -12.115 1.00 0.00 N ATOM 0 H LYS A 8 -0.345 8.943 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 8 2.053 10.467 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.716 7.963 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.935 8.297 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.968 9.337 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.751 9.271 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.648 6.754 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.937 6.856 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.619 8.152 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.503 6.479 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.962 7.932 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.438 7.208 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.551 8.829 -12.182 1.00 0.00 H new ATOM 128 N THR A 9 -0.173 11.094 -10.266 1.00 0.00 N ATOM 129 CA THR A 9 -0.599 12.053 -11.294 1.00 0.00 C ATOM 130 C THR A 9 -0.685 13.479 -10.746 1.00 0.00 C ATOM 131 O THR A 9 -0.250 14.405 -11.426 1.00 0.00 O ATOM 132 CB THR A 9 -1.925 11.575 -11.882 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.745 10.306 -12.470 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.450 12.499 -12.964 1.00 0.00 C ATOM 0 H THR A 9 -0.897 10.409 -10.048 1.00 0.00 H new ATOM 0 HA THR A 9 0.148 12.093 -12.087 1.00 0.00 H new ATOM 0 HB THR A 9 -2.641 11.550 -11.061 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.595 9.996 -12.847 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.394 12.112 -13.347 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.608 13.494 -12.548 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.725 12.557 -13.776 1.00 0.00 H new ATOM 142 N THR A 10 -1.180 13.664 -9.514 1.00 0.00 N ATOM 143 CA THR A 10 -1.222 14.976 -8.840 1.00 0.00 C ATOM 144 C THR A 10 0.190 15.479 -8.579 1.00 0.00 C ATOM 145 O THR A 10 0.514 16.599 -8.974 1.00 0.00 O ATOM 146 CB THR A 10 -2.045 14.908 -7.543 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.355 14.492 -7.857 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.154 16.272 -6.859 1.00 0.00 C ATOM 0 H THR A 10 -1.565 12.905 -8.951 1.00 0.00 H new ATOM 0 HA THR A 10 -1.719 15.688 -9.499 1.00 0.00 H new ATOM 0 HB THR A 10 -1.541 14.213 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.386 13.513 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.744 16.176 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.157 16.635 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.639 16.979 -7.532 1.00 0.00 H new ATOM 156 N LEU A 11 1.044 14.656 -7.960 1.00 0.00 N ATOM 157 CA LEU A 11 2.435 15.019 -7.677 1.00 0.00 C ATOM 158 C LEU A 11 3.215 15.343 -8.958 1.00 0.00 C ATOM 159 O LEU A 11 3.894 16.367 -8.989 1.00 0.00 O ATOM 160 CB LEU A 11 3.121 13.918 -6.845 1.00 0.00 C ATOM 161 CG LEU A 11 2.585 13.750 -5.406 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.382 12.653 -4.687 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.678 15.046 -4.581 1.00 0.00 C ATOM 0 H LEU A 11 0.790 13.721 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 11 2.430 15.933 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.013 12.968 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.188 14.135 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 11 1.532 13.482 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.004 12.535 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.274 11.712 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.435 12.932 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.287 14.868 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.719 15.361 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.093 15.828 -5.065 1.00 0.00 H new ATOM 175 N ASP A 12 3.061 14.568 -10.034 1.00 0.00 N ATOM 176 CA ASP A 12 3.682 14.856 -11.332 1.00 0.00 C ATOM 177 C ASP A 12 3.238 16.212 -11.906 1.00 0.00 C ATOM 178 O ASP A 12 4.087 17.035 -12.252 1.00 0.00 O ATOM 179 CB ASP A 12 3.376 13.713 -12.310 1.00 0.00 C ATOM 180 CG ASP A 12 4.037 13.951 -13.680 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.269 13.743 -13.794 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.321 14.330 -14.636 1.00 0.00 O ATOM 0 H ASP A 12 2.499 13.717 -10.031 1.00 0.00 H new ATOM 0 HA ASP A 12 4.760 14.926 -11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.731 12.771 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.297 13.620 -12.436 1.00 0.00 H new ATOM 187 N LYS A 13 1.926 16.501 -11.935 1.00 0.00 N ATOM 188 CA LYS A 13 1.408 17.808 -12.375 1.00 0.00 C ATOM 189 C LYS A 13 1.894 18.950 -11.472 1.00 0.00 C ATOM 190 O LYS A 13 2.331 19.987 -11.978 1.00 0.00 O ATOM 191 CB LYS A 13 -0.130 17.768 -12.444 1.00 0.00 C ATOM 192 CG LYS A 13 -0.631 16.946 -13.645 1.00 0.00 C ATOM 193 CD LYS A 13 -2.150 17.053 -13.849 1.00 0.00 C ATOM 194 CE LYS A 13 -2.959 16.584 -12.627 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.425 16.622 -12.892 1.00 0.00 N ATOM 0 H LYS A 13 1.200 15.841 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 13 1.799 18.008 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.523 17.340 -11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.517 18.785 -12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.123 17.285 -14.548 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.361 15.900 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.408 18.088 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.437 16.459 -14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.663 15.569 -12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.727 17.218 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.939 16.300 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.711 17.595 -13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.649 15.998 -13.693 1.00 0.00 H new ATOM 209 N VAL A 14 1.905 18.751 -10.151 1.00 0.00 N ATOM 210 CA VAL A 14 2.477 19.699 -9.177 1.00 0.00 C ATOM 211 C VAL A 14 3.959 19.956 -9.482 1.00 0.00 C ATOM 212 O VAL A 14 4.336 21.093 -9.736 1.00 0.00 O ATOM 213 CB VAL A 14 2.233 19.227 -7.727 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.163 19.846 -6.673 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.774 19.479 -7.311 1.00 0.00 C ATOM 0 H VAL A 14 1.512 17.916 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 14 1.963 20.655 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 14 2.459 18.161 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.911 19.451 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.198 19.598 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.041 20.929 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.624 19.139 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.556 20.545 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.106 18.932 -7.976 1.00 0.00 H new ATOM 225 N VAL A 15 4.788 18.911 -9.536 1.00 0.00 N ATOM 226 CA VAL A 15 6.244 19.007 -9.744 1.00 0.00 C ATOM 227 C VAL A 15 6.610 19.702 -11.063 1.00 0.00 C ATOM 228 O VAL A 15 7.477 20.576 -11.070 1.00 0.00 O ATOM 229 CB VAL A 15 6.881 17.604 -9.649 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.278 17.488 -10.272 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.951 17.163 -8.178 1.00 0.00 C ATOM 0 H VAL A 15 4.463 17.950 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 15 6.650 19.636 -8.952 1.00 0.00 H new ATOM 0 HB VAL A 15 6.232 16.952 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.644 16.468 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.226 17.738 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.958 18.176 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.401 16.172 -8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.556 17.873 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.945 17.131 -7.759 1.00 0.00 H new ATOM 241 N THR A 16 5.942 19.338 -12.164 1.00 0.00 N ATOM 242 CA THR A 16 6.247 19.855 -13.511 1.00 0.00 C ATOM 243 C THR A 16 5.801 21.301 -13.703 1.00 0.00 C ATOM 244 O THR A 16 6.553 22.090 -14.270 1.00 0.00 O ATOM 245 CB THR A 16 5.664 18.954 -14.610 1.00 0.00 C ATOM 246 OG1 THR A 16 4.297 18.706 -14.378 1.00 0.00 O ATOM 247 CG2 THR A 16 6.396 17.612 -14.671 1.00 0.00 C ATOM 0 H THR A 16 5.169 18.673 -12.149 1.00 0.00 H new ATOM 0 HA THR A 16 7.333 19.842 -13.600 1.00 0.00 H new ATOM 0 HB THR A 16 5.791 19.480 -15.556 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.202 18.006 -13.699 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.961 16.996 -15.458 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.451 17.782 -14.885 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.298 17.100 -13.714 1.00 0.00 H new ATOM 255 N SER A 17 4.615 21.673 -13.215 1.00 0.00 N ATOM 256 CA SER A 17 4.085 23.040 -13.386 1.00 0.00 C ATOM 257 C SER A 17 4.640 24.053 -12.365 1.00 0.00 C ATOM 258 O SER A 17 4.803 25.229 -12.694 1.00 0.00 O ATOM 259 CB SER A 17 2.547 23.032 -13.337 1.00 0.00 C ATOM 260 OG SER A 17 2.057 22.641 -12.062 1.00 0.00 O ATOM 0 H SER A 17 3.997 21.049 -12.696 1.00 0.00 H new ATOM 0 HA SER A 17 4.425 23.372 -14.367 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.171 24.026 -13.581 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.164 22.351 -14.097 1.00 0.00 H new ATOM 0 HG SER A 17 2.329 21.718 -11.876 1.00 0.00 H new ATOM 266 N HIS A 18 4.946 23.624 -11.132 1.00 0.00 N ATOM 267 CA HIS A 18 5.436 24.511 -10.064 1.00 0.00 C ATOM 268 C HIS A 18 6.978 24.633 -10.031 1.00 0.00 C ATOM 269 O HIS A 18 7.516 25.506 -9.345 1.00 0.00 O ATOM 270 CB HIS A 18 4.947 23.977 -8.704 1.00 0.00 C ATOM 271 CG HIS A 18 3.450 23.859 -8.484 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.443 23.924 -9.423 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.843 23.604 -7.281 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.269 23.725 -8.800 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.458 23.531 -7.483 1.00 0.00 N ATOM 0 H HIS A 18 4.861 22.649 -10.845 1.00 0.00 H new ATOM 0 HA HIS A 18 5.040 25.506 -10.268 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.386 22.990 -8.555 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.349 24.626 -7.926 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.568 24.094 -10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.348 23.480 -6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.306 23.721 -9.290 1.00 0.00 H new ATOM 283 N LYS A 19 7.704 23.727 -10.705 1.00 0.00 N ATOM 284 CA LYS A 19 9.171 23.551 -10.700 1.00 0.00 C ATOM 285 C LYS A 19 9.763 23.250 -9.309 1.00 0.00 C ATOM 286 O LYS A 19 10.282 22.157 -9.106 1.00 0.00 O ATOM 287 CB LYS A 19 9.874 24.748 -11.392 1.00 0.00 C ATOM 288 CG LYS A 19 9.861 24.672 -12.930 1.00 0.00 C ATOM 289 CD LYS A 19 10.882 23.655 -13.459 1.00 0.00 C ATOM 290 CE LYS A 19 10.935 23.670 -14.992 1.00 0.00 C ATOM 291 NZ LYS A 19 12.005 22.772 -15.488 1.00 0.00 N ATOM 0 H LYS A 19 7.250 23.046 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 19 9.372 22.653 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.389 25.673 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.907 24.798 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.863 24.397 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.080 25.656 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.869 23.883 -13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.618 22.656 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.973 23.356 -15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.113 24.686 -15.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.081 22.860 -16.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.911 23.036 -15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.775 21.788 -15.241 1.00 0.00 H new ATOM 305 N VAL A 20 9.701 24.194 -8.369 1.00 0.00 N ATOM 306 CA VAL A 20 10.264 24.111 -7.003 1.00 0.00 C ATOM 307 C VAL A 20 9.114 23.921 -6.012 1.00 0.00 C ATOM 308 O VAL A 20 8.210 24.752 -5.970 1.00 0.00 O ATOM 309 CB VAL A 20 11.060 25.394 -6.654 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.565 25.400 -5.205 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.278 25.580 -7.572 1.00 0.00 C ATOM 0 H VAL A 20 9.235 25.085 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 20 10.951 23.267 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 20 10.353 26.211 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.116 26.321 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.716 25.338 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.222 24.545 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.808 26.491 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.946 24.725 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.945 25.656 -8.607 1.00 0.00 H new ATOM 321 N VAL A 21 9.143 22.840 -5.225 1.00 0.00 N ATOM 322 CA VAL A 21 8.025 22.446 -4.346 1.00 0.00 C ATOM 323 C VAL A 21 8.551 22.003 -2.982 1.00 0.00 C ATOM 324 O VAL A 21 9.288 21.026 -2.887 1.00 0.00 O ATOM 325 CB VAL A 21 7.176 21.309 -4.967 1.00 0.00 C ATOM 326 CG1 VAL A 21 5.876 21.116 -4.164 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.817 21.596 -6.435 1.00 0.00 C ATOM 0 H VAL A 21 9.943 22.209 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 21 7.385 23.320 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 21 7.780 20.402 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.288 20.314 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.120 20.857 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.299 22.040 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.222 20.774 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.244 22.521 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.731 21.697 -7.020 1.00 0.00 H new ATOM 337 N LEU A 22 8.164 22.716 -1.920 1.00 0.00 N ATOM 338 CA LEU A 22 8.534 22.396 -0.535 1.00 0.00 C ATOM 339 C LEU A 22 7.414 21.587 0.147 1.00 0.00 C ATOM 340 O LEU A 22 6.247 21.987 0.143 1.00 0.00 O ATOM 341 CB LEU A 22 8.909 23.727 0.154 1.00 0.00 C ATOM 342 CG LEU A 22 9.497 23.701 1.581 1.00 0.00 C ATOM 343 CD1 LEU A 22 8.434 23.450 2.652 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.648 22.703 1.759 1.00 0.00 C ATOM 0 H LEU A 22 7.575 23.545 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 22 9.403 21.741 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.628 24.236 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.012 24.346 0.181 1.00 0.00 H new ATOM 0 HG LEU A 22 9.905 24.702 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.903 23.442 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.685 24.241 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.955 22.488 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.008 22.743 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.294 21.696 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.461 22.960 1.080 1.00 0.00 H new ATOM 356 N PHE A 23 7.771 20.445 0.740 1.00 0.00 N ATOM 357 CA PHE A 23 6.847 19.559 1.451 1.00 0.00 C ATOM 358 C PHE A 23 7.082 19.661 2.964 1.00 0.00 C ATOM 359 O PHE A 23 8.191 19.419 3.439 1.00 0.00 O ATOM 360 CB PHE A 23 7.025 18.128 0.915 1.00 0.00 C ATOM 361 CG PHE A 23 6.535 17.941 -0.512 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.199 17.568 -0.748 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.402 18.142 -1.603 1.00 0.00 C ATOM 364 CE1 PHE A 23 4.738 17.371 -2.062 1.00 0.00 C ATOM 365 CE2 PHE A 23 6.936 17.952 -2.917 1.00 0.00 C ATOM 366 CZ PHE A 23 5.607 17.564 -3.149 1.00 0.00 C ATOM 0 H PHE A 23 8.732 20.103 0.739 1.00 0.00 H new ATOM 0 HA PHE A 23 5.813 19.856 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.080 17.860 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.490 17.437 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.524 17.432 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.425 18.442 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.715 17.071 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.604 18.105 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.254 17.414 -4.159 1.00 0.00 H new ATOM 376 N MET A 24 6.035 20.011 3.720 1.00 0.00 N ATOM 377 CA MET A 24 6.073 20.232 5.180 1.00 0.00 C ATOM 378 C MET A 24 4.697 20.001 5.818 1.00 0.00 C ATOM 379 O MET A 24 3.740 19.699 5.119 1.00 0.00 O ATOM 380 CB MET A 24 6.643 21.640 5.479 1.00 0.00 C ATOM 381 CG MET A 24 5.797 22.805 4.949 1.00 0.00 C ATOM 382 SD MET A 24 6.472 24.413 5.437 1.00 0.00 S ATOM 383 CE MET A 24 5.560 25.473 4.298 1.00 0.00 C ATOM 0 H MET A 24 5.106 20.154 3.325 1.00 0.00 H new ATOM 0 HA MET A 24 6.739 19.500 5.636 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.752 21.750 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.642 21.710 5.049 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.744 22.749 3.862 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.777 22.712 5.323 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.028 26.457 4.263 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.570 25.031 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.530 25.573 4.640 1.00 0.00 H new ATOM 393 N LYS A 25 4.545 20.199 7.128 1.00 0.00 N ATOM 394 CA LYS A 25 3.251 20.108 7.844 1.00 0.00 C ATOM 395 C LYS A 25 2.373 21.375 7.661 1.00 0.00 C ATOM 396 O LYS A 25 1.752 21.871 8.601 1.00 0.00 O ATOM 397 CB LYS A 25 3.531 19.776 9.323 1.00 0.00 C ATOM 398 CG LYS A 25 4.318 18.467 9.496 1.00 0.00 C ATOM 399 CD LYS A 25 4.377 17.990 10.957 1.00 0.00 C ATOM 400 CE LYS A 25 5.112 18.989 11.867 1.00 0.00 C ATOM 401 NZ LYS A 25 5.205 18.495 13.268 1.00 0.00 N ATOM 0 H LYS A 25 5.326 20.432 7.741 1.00 0.00 H new ATOM 0 HA LYS A 25 2.657 19.304 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.091 20.595 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.585 19.701 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.859 17.690 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.333 18.608 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.364 17.840 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.879 17.024 11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.114 19.167 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.590 19.946 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.707 19.195 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.248 18.349 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.725 17.595 13.285 1.00 0.00 H new ATOM 415 N GLY A 26 2.395 21.949 6.452 1.00 0.00 N ATOM 416 CA GLY A 26 1.824 23.257 6.092 1.00 0.00 C ATOM 417 C GLY A 26 2.132 23.638 4.642 1.00 0.00 C ATOM 418 O GLY A 26 2.553 22.788 3.860 1.00 0.00 O ATOM 0 H GLY A 26 2.835 21.490 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.744 23.234 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.221 24.022 6.760 1.00 0.00 H new ATOM 422 N THR A 27 1.944 24.909 4.278 1.00 0.00 N ATOM 423 CA THR A 27 2.153 25.427 2.907 1.00 0.00 C ATOM 424 C THR A 27 2.412 26.934 2.927 1.00 0.00 C ATOM 425 O THR A 27 2.646 27.503 3.985 1.00 0.00 O ATOM 426 CB THR A 27 1.004 24.962 1.990 1.00 0.00 C ATOM 427 OG1 THR A 27 1.302 25.288 0.656 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.358 25.555 2.354 1.00 0.00 C ATOM 0 H THR A 27 1.637 25.627 4.934 1.00 0.00 H new ATOM 0 HA THR A 27 3.059 25.005 2.472 1.00 0.00 H new ATOM 0 HB THR A 27 0.926 23.883 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.571 24.990 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.114 25.181 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.621 25.266 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.311 26.642 2.286 1.00 0.00 H new ATOM 436 N LYS A 28 2.366 27.600 1.779 1.00 0.00 N ATOM 437 CA LYS A 28 2.628 29.043 1.625 1.00 0.00 C ATOM 438 C LYS A 28 1.667 29.925 2.459 1.00 0.00 C ATOM 439 O LYS A 28 2.068 30.967 2.982 1.00 0.00 O ATOM 440 CB LYS A 28 2.571 29.350 0.119 1.00 0.00 C ATOM 441 CG LYS A 28 2.888 30.816 -0.227 1.00 0.00 C ATOM 442 CD LYS A 28 2.879 31.062 -1.745 1.00 0.00 C ATOM 443 CE LYS A 28 4.121 30.481 -2.437 1.00 0.00 C ATOM 444 NZ LYS A 28 4.011 30.561 -3.916 1.00 0.00 N ATOM 0 H LYS A 28 2.139 27.144 0.895 1.00 0.00 H new ATOM 0 HA LYS A 28 3.613 29.290 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.277 28.703 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.577 29.104 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.157 31.468 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.864 31.082 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.983 30.617 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.827 32.134 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.008 31.022 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.252 29.441 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.906 30.255 -4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.240 29.943 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.809 31.542 -4.197 1.00 0.00 H new ATOM 458 N ASP A 29 0.417 29.480 2.626 1.00 0.00 N ATOM 459 CA ASP A 29 -0.611 30.111 3.475 1.00 0.00 C ATOM 460 C ASP A 29 -0.449 29.804 4.984 1.00 0.00 C ATOM 461 O ASP A 29 -1.026 30.502 5.820 1.00 0.00 O ATOM 462 CB ASP A 29 -1.982 29.642 2.966 1.00 0.00 C ATOM 463 CG ASP A 29 -3.154 30.384 3.627 1.00 0.00 C ATOM 464 OD1 ASP A 29 -3.285 31.612 3.406 1.00 0.00 O ATOM 465 OD2 ASP A 29 -3.965 29.729 4.322 1.00 0.00 O ATOM 0 H ASP A 29 0.076 28.640 2.158 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.505 31.193 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.031 29.785 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.086 28.573 3.151 1.00 0.00 H new ATOM 470 N PHE A 30 0.354 28.789 5.335 1.00 0.00 N ATOM 471 CA PHE A 30 0.613 28.338 6.709 1.00 0.00 C ATOM 472 C PHE A 30 2.051 27.778 6.824 1.00 0.00 C ATOM 473 O PHE A 30 2.236 26.555 6.918 1.00 0.00 O ATOM 474 CB PHE A 30 -0.483 27.328 7.113 1.00 0.00 C ATOM 475 CG PHE A 30 -0.313 26.673 8.479 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.001 27.444 9.618 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.467 25.279 8.612 1.00 0.00 C ATOM 478 CE1 PHE A 30 0.169 26.826 10.869 1.00 0.00 C ATOM 479 CE2 PHE A 30 -0.306 24.661 9.866 1.00 0.00 C ATOM 480 CZ PHE A 30 0.014 25.434 10.996 1.00 0.00 C ATOM 0 H PHE A 30 0.861 28.238 4.642 1.00 0.00 H new ATOM 0 HA PHE A 30 0.562 29.170 7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.446 27.839 7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.523 26.543 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.108 28.515 9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.710 24.681 7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.419 27.421 11.735 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.428 23.592 9.960 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.140 24.960 11.958 1.00 0.00 H new ATOM 490 N PRO A 31 3.084 28.643 6.758 1.00 0.00 N ATOM 491 CA PRO A 31 4.479 28.217 6.758 1.00 0.00 C ATOM 492 C PRO A 31 4.889 27.707 8.142 1.00 0.00 C ATOM 493 O PRO A 31 4.406 28.187 9.168 1.00 0.00 O ATOM 494 CB PRO A 31 5.289 29.439 6.317 1.00 0.00 C ATOM 495 CG PRO A 31 4.431 30.613 6.784 1.00 0.00 C ATOM 496 CD PRO A 31 3.003 30.092 6.606 1.00 0.00 C ATOM 0 HA PRO A 31 4.655 27.383 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.277 29.454 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.439 29.454 5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.638 30.876 7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.611 31.507 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.334 30.526 7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.609 30.360 5.626 1.00 0.00 H new ATOM 504 N GLN A 32 5.778 26.710 8.169 1.00 0.00 N ATOM 505 CA GLN A 32 6.238 26.072 9.406 1.00 0.00 C ATOM 506 C GLN A 32 7.598 26.653 9.830 1.00 0.00 C ATOM 507 O GLN A 32 8.544 26.696 9.037 1.00 0.00 O ATOM 508 CB GLN A 32 6.287 24.545 9.218 1.00 0.00 C ATOM 509 CG GLN A 32 4.944 23.927 8.776 1.00 0.00 C ATOM 510 CD GLN A 32 3.798 24.213 9.751 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.754 23.702 10.863 1.00 0.00 O ATOM 512 NE2 GLN A 32 2.839 25.045 9.393 1.00 0.00 N ATOM 0 H GLN A 32 6.202 26.320 7.327 1.00 0.00 H new ATOM 0 HA GLN A 32 5.535 26.281 10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.048 24.304 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.598 24.083 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.680 24.314 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.064 22.849 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.859 25.480 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.077 25.253 10.039 1.00 0.00 H new ATOM 521 N CYS A 33 7.694 27.118 11.081 1.00 0.00 N ATOM 522 CA CYS A 33 8.840 27.867 11.604 1.00 0.00 C ATOM 523 C CYS A 33 10.140 27.037 11.681 1.00 0.00 C ATOM 524 O CYS A 33 10.116 25.809 11.811 1.00 0.00 O ATOM 525 CB CYS A 33 8.460 28.459 12.977 1.00 0.00 C ATOM 526 SG CYS A 33 7.024 29.561 12.808 1.00 0.00 S ATOM 0 H CYS A 33 6.958 26.980 11.774 1.00 0.00 H new ATOM 0 HA CYS A 33 9.065 28.669 10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.231 27.656 13.677 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.305 29.011 13.390 1.00 0.00 H new ATOM 0 HG CYS A 33 6.713 30.051 13.972 1.00 0.00 H new ATOM 532 N GLY A 34 11.286 27.727 11.641 1.00 0.00 N ATOM 533 CA GLY A 34 12.620 27.119 11.728 1.00 0.00 C ATOM 534 C GLY A 34 13.125 26.651 10.367 1.00 0.00 C ATOM 535 O GLY A 34 13.313 27.473 9.467 1.00 0.00 O ATOM 0 H GLY A 34 11.313 28.742 11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.321 27.842 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.588 26.272 12.414 1.00 0.00 H new ATOM 539 N PHE A 35 13.370 25.345 10.215 1.00 0.00 N ATOM 540 CA PHE A 35 13.964 24.738 9.015 1.00 0.00 C ATOM 541 C PHE A 35 13.202 25.095 7.733 1.00 0.00 C ATOM 542 O PHE A 35 13.771 25.691 6.824 1.00 0.00 O ATOM 543 CB PHE A 35 14.048 23.206 9.209 1.00 0.00 C ATOM 544 CG PHE A 35 15.331 22.669 9.836 1.00 0.00 C ATOM 545 CD1 PHE A 35 16.089 23.429 10.753 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.787 21.387 9.465 1.00 0.00 C ATOM 547 CE1 PHE A 35 17.294 22.919 11.270 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.994 20.877 9.981 1.00 0.00 C ATOM 549 CZ PHE A 35 17.752 21.647 10.881 1.00 0.00 C ATOM 0 H PHE A 35 13.156 24.662 10.941 1.00 0.00 H new ATOM 0 HA PHE A 35 14.967 25.147 8.890 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.208 22.894 9.830 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.919 22.731 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.743 24.405 11.059 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.205 20.790 8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.870 23.507 11.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.337 19.896 9.686 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.683 21.263 11.272 1.00 0.00 H new ATOM 559 N SER A 36 11.914 24.768 7.654 1.00 0.00 N ATOM 560 CA SER A 36 11.108 24.960 6.437 1.00 0.00 C ATOM 561 C SER A 36 11.006 26.440 6.051 1.00 0.00 C ATOM 562 O SER A 36 11.301 26.805 4.912 1.00 0.00 O ATOM 563 CB SER A 36 9.714 24.359 6.640 1.00 0.00 C ATOM 564 OG SER A 36 9.808 23.034 7.133 1.00 0.00 O ATOM 0 H SER A 36 11.393 24.361 8.431 1.00 0.00 H new ATOM 0 HA SER A 36 11.607 24.446 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.146 24.973 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.169 24.363 5.696 1.00 0.00 H new ATOM 0 HG SER A 36 8.908 22.667 7.258 1.00 0.00 H new ATOM 570 N GLN A 37 10.715 27.312 7.024 1.00 0.00 N ATOM 571 CA GLN A 37 10.734 28.772 6.868 1.00 0.00 C ATOM 572 C GLN A 37 12.080 29.250 6.306 1.00 0.00 C ATOM 573 O GLN A 37 12.095 30.012 5.342 1.00 0.00 O ATOM 574 CB GLN A 37 10.443 29.386 8.251 1.00 0.00 C ATOM 575 CG GLN A 37 10.499 30.925 8.315 1.00 0.00 C ATOM 576 CD GLN A 37 10.251 31.453 9.734 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.547 30.810 10.736 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.694 32.639 9.880 1.00 0.00 N ATOM 0 H GLN A 37 10.454 27.015 7.964 1.00 0.00 H new ATOM 0 HA GLN A 37 9.976 29.091 6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.454 29.061 8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.159 28.983 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.474 31.267 7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.754 31.343 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.441 33.188 9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.516 33.007 10.814 1.00 0.00 H new ATOM 587 N THR A 38 13.206 28.763 6.847 1.00 0.00 N ATOM 588 CA THR A 38 14.552 29.116 6.398 1.00 0.00 C ATOM 589 C THR A 38 14.800 28.614 4.976 1.00 0.00 C ATOM 590 O THR A 38 15.237 29.399 4.145 1.00 0.00 O ATOM 591 CB THR A 38 15.593 28.602 7.397 1.00 0.00 C ATOM 592 OG1 THR A 38 15.333 29.160 8.667 1.00 0.00 O ATOM 593 CG2 THR A 38 16.998 29.027 6.996 1.00 0.00 C ATOM 0 H THR A 38 13.202 28.101 7.623 1.00 0.00 H new ATOM 0 HA THR A 38 14.646 30.201 6.363 1.00 0.00 H new ATOM 0 HB THR A 38 15.529 27.514 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.623 28.650 9.109 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.715 28.647 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.233 28.623 6.011 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.054 30.115 6.965 1.00 0.00 H new ATOM 601 N VAL A 39 14.452 27.365 4.656 1.00 0.00 N ATOM 602 CA VAL A 39 14.529 26.820 3.282 1.00 0.00 C ATOM 603 C VAL A 39 13.696 27.667 2.306 1.00 0.00 C ATOM 604 O VAL A 39 14.189 28.012 1.234 1.00 0.00 O ATOM 605 CB VAL A 39 14.107 25.330 3.228 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.948 24.796 1.794 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.145 24.452 3.945 1.00 0.00 C ATOM 0 H VAL A 39 14.106 26.693 5.341 1.00 0.00 H new ATOM 0 HA VAL A 39 15.572 26.871 2.970 1.00 0.00 H new ATOM 0 HB VAL A 39 13.137 25.280 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.651 23.748 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.184 25.373 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.896 24.888 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.834 23.408 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.114 24.564 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.224 24.760 4.987 1.00 0.00 H new ATOM 617 N VAL A 40 12.472 28.058 2.689 1.00 0.00 N ATOM 618 CA VAL A 40 11.614 28.949 1.887 1.00 0.00 C ATOM 619 C VAL A 40 12.275 30.326 1.694 1.00 0.00 C ATOM 620 O VAL A 40 12.322 30.817 0.569 1.00 0.00 O ATOM 621 CB VAL A 40 10.197 29.061 2.508 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.387 30.243 1.956 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.407 27.763 2.273 1.00 0.00 C ATOM 0 H VAL A 40 12.045 27.765 3.568 1.00 0.00 H new ATOM 0 HA VAL A 40 11.496 28.511 0.896 1.00 0.00 H new ATOM 0 HB VAL A 40 10.346 29.232 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.406 30.265 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.913 31.174 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.266 30.130 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.415 27.856 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.313 27.583 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.933 26.928 2.736 1.00 0.00 H new ATOM 633 N GLN A 41 12.827 30.933 2.750 1.00 0.00 N ATOM 634 CA GLN A 41 13.521 32.226 2.672 1.00 0.00 C ATOM 635 C GLN A 41 14.795 32.158 1.813 1.00 0.00 C ATOM 636 O GLN A 41 15.053 33.088 1.049 1.00 0.00 O ATOM 637 CB GLN A 41 13.847 32.730 4.092 1.00 0.00 C ATOM 638 CG GLN A 41 12.617 33.248 4.859 1.00 0.00 C ATOM 639 CD GLN A 41 12.083 34.569 4.301 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.137 34.608 3.521 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.681 35.696 4.638 1.00 0.00 N ATOM 0 H GLN A 41 12.805 30.539 3.691 1.00 0.00 H new ATOM 0 HA GLN A 41 12.851 32.931 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.304 31.920 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.586 33.529 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.828 32.497 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.879 33.382 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.469 35.681 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.355 36.582 4.251 1.00 0.00 H new ATOM 650 N ILE A 42 15.573 31.073 1.881 1.00 0.00 N ATOM 651 CA ILE A 42 16.766 30.870 1.037 1.00 0.00 C ATOM 652 C ILE A 42 16.389 30.858 -0.448 1.00 0.00 C ATOM 653 O ILE A 42 17.019 31.567 -1.221 1.00 0.00 O ATOM 654 CB ILE A 42 17.550 29.602 1.468 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.241 29.844 2.830 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.618 29.228 0.418 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.767 28.566 3.501 1.00 0.00 C ATOM 0 H ILE A 42 15.396 30.303 2.526 1.00 0.00 H new ATOM 0 HA ILE A 42 17.440 31.714 1.184 1.00 0.00 H new ATOM 0 HB ILE A 42 16.839 28.781 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.072 30.535 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.535 30.331 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.153 28.336 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.134 29.031 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 42 19.322 30.052 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.237 28.821 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.938 27.881 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.499 28.088 2.850 1.00 0.00 H new ATOM 669 N LEU A 43 15.351 30.118 -0.856 1.00 0.00 N ATOM 670 CA LEU A 43 14.899 30.065 -2.258 1.00 0.00 C ATOM 671 C LEU A 43 14.429 31.449 -2.745 1.00 0.00 C ATOM 672 O LEU A 43 14.921 31.968 -3.755 1.00 0.00 O ATOM 673 CB LEU A 43 13.785 29.004 -2.374 1.00 0.00 C ATOM 674 CG LEU A 43 14.273 27.551 -2.179 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.073 26.631 -1.910 1.00 0.00 C ATOM 676 CD2 LEU A 43 15.058 27.043 -3.400 1.00 0.00 C ATOM 0 H LEU A 43 14.798 29.537 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 43 15.730 29.781 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.015 29.219 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.317 29.090 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 43 14.947 27.538 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.423 25.608 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.556 26.961 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.388 26.670 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.383 26.018 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.418 27.073 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.929 27.677 -3.562 1.00 0.00 H new ATOM 688 N LYS A 44 13.535 32.083 -1.973 1.00 0.00 N ATOM 689 CA LYS A 44 13.062 33.448 -2.230 1.00 0.00 C ATOM 690 C LYS A 44 14.251 34.394 -2.474 1.00 0.00 C ATOM 691 O LYS A 44 14.391 34.925 -3.576 1.00 0.00 O ATOM 692 CB LYS A 44 12.201 33.933 -1.049 1.00 0.00 C ATOM 693 CG LYS A 44 10.804 33.291 -1.031 1.00 0.00 C ATOM 694 CD LYS A 44 10.044 33.601 0.269 1.00 0.00 C ATOM 695 CE LYS A 44 9.731 35.100 0.417 1.00 0.00 C ATOM 696 NZ LYS A 44 9.056 35.392 1.709 1.00 0.00 N ATOM 0 H LYS A 44 13.117 31.658 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 44 12.447 33.449 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.713 33.706 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.098 35.017 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.228 33.653 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.900 32.211 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.113 33.034 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.636 33.270 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.655 35.674 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.096 35.423 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.829 36.406 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.179 34.837 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.687 35.138 2.496 1.00 0.00 H new ATOM 710 N SER A 45 15.121 34.542 -1.464 1.00 0.00 N ATOM 711 CA SER A 45 16.268 35.469 -1.438 1.00 0.00 C ATOM 712 C SER A 45 17.411 35.121 -2.413 1.00 0.00 C ATOM 713 O SER A 45 18.116 36.033 -2.857 1.00 0.00 O ATOM 714 CB SER A 45 16.804 35.630 -0.003 1.00 0.00 C ATOM 715 OG SER A 45 17.289 34.417 0.550 1.00 0.00 O ATOM 0 H SER A 45 15.043 33.997 -0.605 1.00 0.00 H new ATOM 0 HA SER A 45 15.873 36.420 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.605 36.369 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.010 36.020 0.633 1.00 0.00 H new ATOM 0 HG SER A 45 16.534 33.830 0.763 1.00 0.00 H new ATOM 721 N LEU A 46 17.575 33.844 -2.795 1.00 0.00 N ATOM 722 CA LEU A 46 18.467 33.422 -3.884 1.00 0.00 C ATOM 723 C LEU A 46 18.038 34.113 -5.190 1.00 0.00 C ATOM 724 O LEU A 46 18.892 34.462 -6.004 1.00 0.00 O ATOM 725 CB LEU A 46 18.421 31.881 -3.994 1.00 0.00 C ATOM 726 CG LEU A 46 19.134 31.258 -5.208 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.630 31.597 -5.232 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.954 29.731 -5.167 1.00 0.00 C ATOM 0 H LEU A 46 17.086 33.068 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 46 19.497 33.715 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.859 31.461 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.376 31.571 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 46 18.688 31.673 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 21.093 31.137 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.757 32.678 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 21.104 31.216 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.456 29.282 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.386 29.338 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.892 29.489 -5.201 1.00 0.00 H new ATOM 740 N ASN A 47 16.718 34.315 -5.335 1.00 0.00 N ATOM 741 CA ASN A 47 15.981 35.122 -6.326 1.00 0.00 C ATOM 742 C ASN A 47 15.115 34.201 -7.192 1.00 0.00 C ATOM 743 O ASN A 47 15.267 34.145 -8.416 1.00 0.00 O ATOM 744 CB ASN A 47 16.847 36.116 -7.135 1.00 0.00 C ATOM 745 CG ASN A 47 16.023 37.112 -7.951 1.00 0.00 C ATOM 746 OD1 ASN A 47 14.830 37.306 -7.740 1.00 0.00 O ATOM 747 ND2 ASN A 47 16.639 37.784 -8.908 1.00 0.00 N ATOM 0 H ASN A 47 16.068 33.867 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 47 15.324 35.793 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.493 36.665 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.497 35.557 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.123 38.462 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.631 37.625 -9.086 1.00 0.00 H new ATOM 754 N ALA A 48 14.254 33.416 -6.531 1.00 0.00 N ATOM 755 CA ALA A 48 13.517 32.335 -7.198 1.00 0.00 C ATOM 756 C ALA A 48 12.074 32.155 -6.679 1.00 0.00 C ATOM 757 O ALA A 48 11.840 32.321 -5.476 1.00 0.00 O ATOM 758 CB ALA A 48 14.326 31.032 -7.059 1.00 0.00 C ATOM 0 H ALA A 48 14.051 33.509 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 48 13.407 32.605 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.792 30.218 -7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.303 31.159 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.457 30.796 -6.003 1.00 0.00 H new ATOM 764 N PRO A 49 11.124 31.786 -7.564 1.00 0.00 N ATOM 765 CA PRO A 49 9.783 31.380 -7.170 1.00 0.00 C ATOM 766 C PRO A 49 9.795 29.962 -6.582 1.00 0.00 C ATOM 767 O PRO A 49 10.732 29.185 -6.776 1.00 0.00 O ATOM 768 CB PRO A 49 8.942 31.462 -8.447 1.00 0.00 C ATOM 769 CG PRO A 49 9.949 31.106 -9.538 1.00 0.00 C ATOM 770 CD PRO A 49 11.247 31.725 -9.019 1.00 0.00 C ATOM 0 HA PRO A 49 9.372 32.020 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.105 30.764 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.523 32.458 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.039 30.028 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.662 31.521 -10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.108 31.123 -9.311 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.397 32.720 -9.438 1.00 0.00 H new ATOM 778 N PHE A 50 8.714 29.625 -5.878 1.00 0.00 N ATOM 779 CA PHE A 50 8.505 28.347 -5.203 1.00 0.00 C ATOM 780 C PHE A 50 7.012 28.144 -4.919 1.00 0.00 C ATOM 781 O PHE A 50 6.236 29.103 -4.889 1.00 0.00 O ATOM 782 CB PHE A 50 9.317 28.297 -3.889 1.00 0.00 C ATOM 783 CG PHE A 50 8.709 29.128 -2.769 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.797 30.532 -2.805 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.964 28.503 -1.750 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.110 31.307 -1.856 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.280 29.278 -0.795 1.00 0.00 C ATOM 788 CZ PHE A 50 7.343 30.683 -0.854 1.00 0.00 C ATOM 0 H PHE A 50 7.928 30.263 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 50 8.851 27.543 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.397 27.261 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.330 28.649 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.394 31.015 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.918 27.425 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.170 32.385 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.707 28.795 -0.017 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.805 31.280 -0.133 1.00 0.00 H new ATOM 798 N GLU A 51 6.627 26.900 -4.647 1.00 0.00 N ATOM 799 CA GLU A 51 5.306 26.528 -4.145 1.00 0.00 C ATOM 800 C GLU A 51 5.480 25.536 -2.987 1.00 0.00 C ATOM 801 O GLU A 51 6.597 25.188 -2.600 1.00 0.00 O ATOM 802 CB GLU A 51 4.437 25.950 -5.277 1.00 0.00 C ATOM 803 CG GLU A 51 4.150 26.920 -6.439 1.00 0.00 C ATOM 804 CD GLU A 51 3.392 28.201 -6.044 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.758 28.265 -4.963 1.00 0.00 O ATOM 806 OE2 GLU A 51 3.425 29.182 -6.824 1.00 0.00 O ATOM 0 H GLU A 51 7.244 26.098 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 51 4.785 27.410 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.930 25.064 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.487 25.623 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.097 27.203 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.572 26.393 -7.198 1.00 0.00 H new ATOM 813 N SER A 52 4.396 25.090 -2.359 1.00 0.00 N ATOM 814 CA SER A 52 4.469 24.182 -1.209 1.00 0.00 C ATOM 815 C SER A 52 3.240 23.266 -1.089 1.00 0.00 C ATOM 816 O SER A 52 2.182 23.560 -1.650 1.00 0.00 O ATOM 817 CB SER A 52 4.679 24.995 0.082 1.00 0.00 C ATOM 818 OG SER A 52 5.874 25.759 0.032 1.00 0.00 O ATOM 0 H SER A 52 3.445 25.344 -2.628 1.00 0.00 H new ATOM 0 HA SER A 52 5.322 23.522 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.829 25.659 0.236 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.715 24.319 0.936 1.00 0.00 H new ATOM 0 HG SER A 52 5.975 26.263 0.866 1.00 0.00 H new ATOM 824 N VAL A 53 3.384 22.150 -0.363 1.00 0.00 N ATOM 825 CA VAL A 53 2.320 21.149 -0.157 1.00 0.00 C ATOM 826 C VAL A 53 2.348 20.652 1.288 1.00 0.00 C ATOM 827 O VAL A 53 3.411 20.310 1.808 1.00 0.00 O ATOM 828 CB VAL A 53 2.478 19.956 -1.130 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.452 18.836 -0.877 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.369 20.375 -2.607 1.00 0.00 C ATOM 0 H VAL A 53 4.257 21.910 0.107 1.00 0.00 H new ATOM 0 HA VAL A 53 1.360 21.625 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 53 3.481 19.579 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.613 18.027 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.572 18.455 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.444 19.232 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.487 19.498 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.392 20.825 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.150 21.099 -2.838 1.00 0.00 H new ATOM 840 N ASN A 54 1.170 20.584 1.917 1.00 0.00 N ATOM 841 CA ASN A 54 1.007 20.036 3.263 1.00 0.00 C ATOM 842 C ASN A 54 0.993 18.497 3.234 1.00 0.00 C ATOM 843 O ASN A 54 0.091 17.885 2.666 1.00 0.00 O ATOM 844 CB ASN A 54 -0.264 20.610 3.914 1.00 0.00 C ATOM 845 CG ASN A 54 -0.454 20.160 5.363 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.389 19.499 5.954 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.574 20.497 5.972 1.00 0.00 N ATOM 0 H ASN A 54 0.298 20.911 1.501 1.00 0.00 H new ATOM 0 HA ASN A 54 1.861 20.333 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.221 21.699 3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.133 20.307 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.738 20.207 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.277 21.048 5.479 1.00 0.00 H new ATOM 854 N ILE A 55 1.960 17.852 3.895 1.00 0.00 N ATOM 855 CA ILE A 55 2.052 16.376 3.969 1.00 0.00 C ATOM 856 C ILE A 55 0.937 15.734 4.815 1.00 0.00 C ATOM 857 O ILE A 55 0.654 14.551 4.653 1.00 0.00 O ATOM 858 CB ILE A 55 3.456 15.943 4.458 1.00 0.00 C ATOM 859 CG1 ILE A 55 3.700 16.260 5.951 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.538 16.546 3.541 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.129 16.001 6.437 1.00 0.00 C ATOM 0 H ILE A 55 2.706 18.333 4.397 1.00 0.00 H new ATOM 0 HA ILE A 55 1.902 16.003 2.956 1.00 0.00 H new ATOM 0 HB ILE A 55 3.514 14.857 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.454 17.307 6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.013 15.664 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.524 16.238 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.388 16.194 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.469 17.634 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.205 16.252 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.377 14.949 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.824 16.618 5.867 1.00 0.00 H new ATOM 873 N LEU A 56 0.300 16.505 5.707 1.00 0.00 N ATOM 874 CA LEU A 56 -0.676 16.024 6.696 1.00 0.00 C ATOM 875 C LEU A 56 -2.150 16.122 6.251 1.00 0.00 C ATOM 876 O LEU A 56 -3.027 15.672 6.990 1.00 0.00 O ATOM 877 CB LEU A 56 -0.431 16.782 8.030 1.00 0.00 C ATOM 878 CG LEU A 56 0.131 15.933 9.189 1.00 0.00 C ATOM 879 CD1 LEU A 56 -0.848 14.839 9.635 1.00 0.00 C ATOM 880 CD2 LEU A 56 1.495 15.320 8.839 1.00 0.00 C ATOM 0 H LEU A 56 0.454 17.512 5.762 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.513 14.954 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.259 17.604 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.373 17.226 8.353 1.00 0.00 H new ATOM 0 HG LEU A 56 0.270 16.617 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.408 14.268 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.777 15.298 9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.055 14.173 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.856 14.730 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.392 14.678 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.207 16.116 8.623 1.00 0.00 H new ATOM 892 N GLU A 57 -2.447 16.692 5.075 1.00 0.00 N ATOM 893 CA GLU A 57 -3.838 16.939 4.647 1.00 0.00 C ATOM 894 C GLU A 57 -4.627 15.663 4.280 1.00 0.00 C ATOM 895 O GLU A 57 -5.860 15.694 4.256 1.00 0.00 O ATOM 896 CB GLU A 57 -3.894 17.973 3.507 1.00 0.00 C ATOM 897 CG GLU A 57 -3.386 17.474 2.147 1.00 0.00 C ATOM 898 CD GLU A 57 -3.566 18.556 1.068 1.00 0.00 C ATOM 899 OE1 GLU A 57 -2.814 19.562 1.071 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.467 18.409 0.210 1.00 0.00 O ATOM 0 H GLU A 57 -1.744 16.992 4.400 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.341 17.349 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.925 18.307 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.307 18.844 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.333 17.202 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.928 16.573 1.859 1.00 0.00 H new ATOM 907 N ASN A 58 -3.940 14.539 4.020 1.00 0.00 N ATOM 908 CA ASN A 58 -4.548 13.233 3.726 1.00 0.00 C ATOM 909 C ASN A 58 -3.563 12.080 4.017 1.00 0.00 C ATOM 910 O ASN A 58 -2.381 12.177 3.689 1.00 0.00 O ATOM 911 CB ASN A 58 -5.028 13.208 2.262 1.00 0.00 C ATOM 912 CG ASN A 58 -5.895 11.988 1.966 1.00 0.00 C ATOM 913 OD1 ASN A 58 -5.396 10.884 1.797 1.00 0.00 O ATOM 914 ND2 ASN A 58 -7.206 12.134 1.940 1.00 0.00 N ATOM 0 H ASN A 58 -2.920 14.514 4.008 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.408 13.087 4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.594 14.115 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.164 13.209 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.806 11.325 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.619 13.056 2.081 1.00 0.00 H new ATOM 921 N GLU A 59 -4.040 10.973 4.600 1.00 0.00 N ATOM 922 CA GLU A 59 -3.194 9.831 4.985 1.00 0.00 C ATOM 923 C GLU A 59 -2.546 9.128 3.780 1.00 0.00 C ATOM 924 O GLU A 59 -1.381 8.731 3.858 1.00 0.00 O ATOM 925 CB GLU A 59 -4.039 8.851 5.822 1.00 0.00 C ATOM 926 CG GLU A 59 -3.278 7.637 6.383 1.00 0.00 C ATOM 927 CD GLU A 59 -2.135 7.977 7.357 1.00 0.00 C ATOM 928 OE1 GLU A 59 -2.031 9.123 7.858 1.00 0.00 O ATOM 929 OE2 GLU A 59 -1.325 7.073 7.665 1.00 0.00 O ATOM 0 H GLU A 59 -5.027 10.842 4.820 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.362 10.207 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.481 9.398 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.862 8.489 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.988 6.986 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.867 7.068 5.549 1.00 0.00 H new ATOM 936 N LEU A 60 -3.252 9.021 2.643 1.00 0.00 N ATOM 937 CA LEU A 60 -2.713 8.424 1.418 1.00 0.00 C ATOM 938 C LEU A 60 -1.523 9.230 0.892 1.00 0.00 C ATOM 939 O LEU A 60 -0.493 8.646 0.568 1.00 0.00 O ATOM 940 CB LEU A 60 -3.807 8.293 0.338 1.00 0.00 C ATOM 941 CG LEU A 60 -5.033 7.440 0.730 1.00 0.00 C ATOM 942 CD1 LEU A 60 -6.029 7.424 -0.437 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.648 5.997 1.095 1.00 0.00 C ATOM 0 H LEU A 60 -4.214 9.348 2.551 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.360 7.422 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.152 9.292 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.359 7.863 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.483 7.891 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.897 6.823 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.347 8.443 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.551 6.995 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.544 5.438 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.166 5.522 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.960 6.007 1.940 1.00 0.00 H new ATOM 955 N LEU A 61 -1.630 10.567 0.882 1.00 0.00 N ATOM 956 CA LEU A 61 -0.514 11.465 0.564 1.00 0.00 C ATOM 957 C LEU A 61 0.633 11.294 1.567 1.00 0.00 C ATOM 958 O LEU A 61 1.771 11.091 1.151 1.00 0.00 O ATOM 959 CB LEU A 61 -1.030 12.919 0.510 1.00 0.00 C ATOM 960 CG LEU A 61 0.062 13.968 0.190 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.663 13.781 -1.212 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.534 15.377 0.313 1.00 0.00 C ATOM 0 H LEU A 61 -2.499 11.057 1.096 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.108 11.209 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.815 12.986 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.486 13.167 1.468 1.00 0.00 H new ATOM 0 HG LEU A 61 0.870 13.832 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.424 14.542 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.116 12.792 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.124 13.876 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.233 16.118 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.360 15.485 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.899 15.530 1.328 1.00 0.00 H new ATOM 974 N ARG A 62 0.340 11.314 2.873 1.00 0.00 N ATOM 975 CA ARG A 62 1.335 11.153 3.944 1.00 0.00 C ATOM 976 C ARG A 62 2.151 9.854 3.798 1.00 0.00 C ATOM 977 O ARG A 62 3.362 9.851 4.026 1.00 0.00 O ATOM 978 CB ARG A 62 0.626 11.206 5.309 1.00 0.00 C ATOM 979 CG ARG A 62 1.599 11.532 6.456 1.00 0.00 C ATOM 980 CD ARG A 62 0.912 11.448 7.826 1.00 0.00 C ATOM 981 NE ARG A 62 0.614 10.052 8.196 1.00 0.00 N ATOM 982 CZ ARG A 62 1.433 9.167 8.747 1.00 0.00 C ATOM 983 NH1 ARG A 62 2.661 9.466 9.123 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.005 7.939 8.919 1.00 0.00 N ATOM 0 H ARG A 62 -0.609 11.444 3.222 1.00 0.00 H new ATOM 0 HA ARG A 62 2.048 11.974 3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.162 11.958 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.145 10.248 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.440 10.839 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.006 12.533 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.553 11.898 8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.012 12.026 7.807 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.335 9.729 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.018 10.413 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.254 8.750 9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.061 7.683 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.617 7.240 9.341 1.00 0.00 H new ATOM 998 N GLN A 63 1.504 8.757 3.388 1.00 0.00 N ATOM 999 CA GLN A 63 2.138 7.463 3.134 1.00 0.00 C ATOM 1000 C GLN A 63 2.897 7.435 1.793 1.00 0.00 C ATOM 1001 O GLN A 63 4.061 7.029 1.752 1.00 0.00 O ATOM 1002 CB GLN A 63 1.028 6.393 3.184 1.00 0.00 C ATOM 1003 CG GLN A 63 1.567 4.967 3.012 1.00 0.00 C ATOM 1004 CD GLN A 63 0.464 3.914 3.136 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.334 3.224 4.141 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -0.381 3.749 2.137 1.00 0.00 N ATOM 0 H GLN A 63 0.498 8.747 3.220 1.00 0.00 H new ATOM 0 HA GLN A 63 2.894 7.266 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.503 6.465 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.298 6.597 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.046 4.876 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.334 4.777 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.289 4.314 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.127 3.057 2.209 1.00 0.00 H new ATOM 1015 N GLY A 64 2.254 7.855 0.694 1.00 0.00 N ATOM 1016 CA GLY A 64 2.765 7.682 -0.670 1.00 0.00 C ATOM 1017 C GLY A 64 3.822 8.689 -1.110 1.00 0.00 C ATOM 1018 O GLY A 64 4.666 8.354 -1.941 1.00 0.00 O ATOM 0 H GLY A 64 1.352 8.331 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.185 6.680 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.926 7.737 -1.363 1.00 0.00 H new ATOM 1022 N LEU A 65 3.829 9.899 -0.543 1.00 0.00 N ATOM 1023 CA LEU A 65 4.819 10.939 -0.853 1.00 0.00 C ATOM 1024 C LEU A 65 6.247 10.501 -0.499 1.00 0.00 C ATOM 1025 O LEU A 65 7.184 10.849 -1.215 1.00 0.00 O ATOM 1026 CB LEU A 65 4.401 12.212 -0.098 1.00 0.00 C ATOM 1027 CG LEU A 65 5.342 13.416 -0.277 1.00 0.00 C ATOM 1028 CD1 LEU A 65 5.384 13.927 -1.721 1.00 0.00 C ATOM 1029 CD2 LEU A 65 4.886 14.522 0.673 1.00 0.00 C ATOM 0 H LEU A 65 3.141 10.189 0.152 1.00 0.00 H new ATOM 0 HA LEU A 65 4.837 11.130 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.402 12.499 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.332 11.979 0.965 1.00 0.00 H new ATOM 0 HG LEU A 65 6.358 13.099 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.064 14.777 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.733 13.131 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.385 14.237 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.539 15.388 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.862 14.808 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.931 14.161 1.700 1.00 0.00 H new ATOM 1041 N LYS A 66 6.425 9.710 0.562 1.00 0.00 N ATOM 1042 CA LYS A 66 7.722 9.137 0.947 1.00 0.00 C ATOM 1043 C LYS A 66 8.284 8.205 -0.146 1.00 0.00 C ATOM 1044 O LYS A 66 9.456 8.312 -0.512 1.00 0.00 O ATOM 1045 CB LYS A 66 7.529 8.419 2.297 1.00 0.00 C ATOM 1046 CG LYS A 66 8.868 7.969 2.903 1.00 0.00 C ATOM 1047 CD LYS A 66 8.733 7.423 4.332 1.00 0.00 C ATOM 1048 CE LYS A 66 7.879 6.144 4.391 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.835 5.575 5.767 1.00 0.00 N ATOM 0 H LYS A 66 5.664 9.445 1.187 1.00 0.00 H new ATOM 0 HA LYS A 66 8.467 9.925 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.021 9.086 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.884 7.552 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.307 7.200 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.559 8.812 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.724 7.214 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.285 8.186 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.866 6.367 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.286 5.403 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.251 4.715 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.800 5.339 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.424 6.274 6.419 1.00 0.00 H new ATOM 1063 N GLU A 67 7.435 7.348 -0.724 1.00 0.00 N ATOM 1064 CA GLU A 67 7.804 6.463 -1.839 1.00 0.00 C ATOM 1065 C GLU A 67 8.080 7.271 -3.122 1.00 0.00 C ATOM 1066 O GLU A 67 9.106 7.052 -3.770 1.00 0.00 O ATOM 1067 CB GLU A 67 6.706 5.409 -2.049 1.00 0.00 C ATOM 1068 CG GLU A 67 7.141 4.319 -3.035 1.00 0.00 C ATOM 1069 CD GLU A 67 6.088 3.204 -3.144 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.005 2.358 -2.220 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.359 3.151 -4.162 1.00 0.00 O ATOM 0 H GLU A 67 6.464 7.247 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 67 8.730 5.945 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.453 4.953 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.803 5.894 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.307 4.761 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.091 3.893 -2.712 1.00 0.00 H new ATOM 1078 N TYR A 68 7.229 8.252 -3.454 1.00 0.00 N ATOM 1079 CA TYR A 68 7.421 9.145 -4.607 1.00 0.00 C ATOM 1080 C TYR A 68 8.737 9.942 -4.518 1.00 0.00 C ATOM 1081 O TYR A 68 9.448 10.107 -5.508 1.00 0.00 O ATOM 1082 CB TYR A 68 6.219 10.103 -4.697 1.00 0.00 C ATOM 1083 CG TYR A 68 6.235 11.005 -5.920 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.908 12.244 -5.885 1.00 0.00 C ATOM 1085 CD2 TYR A 68 5.579 10.600 -7.099 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.946 13.062 -7.031 1.00 0.00 C ATOM 1087 CE2 TYR A 68 5.603 11.420 -8.245 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.298 12.649 -8.216 1.00 0.00 C ATOM 1089 OH TYR A 68 6.345 13.421 -9.336 1.00 0.00 O ATOM 0 H TYR A 68 6.380 8.450 -2.925 1.00 0.00 H new ATOM 0 HA TYR A 68 7.487 8.533 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.300 9.516 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.195 10.724 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.396 12.566 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.055 9.656 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.471 14.005 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.091 11.109 -9.144 1.00 0.00 H new ATOM 0 HH TYR A 68 5.846 12.983 -10.057 1.00 0.00 H new ATOM 1099 N SER A 69 9.069 10.431 -3.321 1.00 0.00 N ATOM 1100 CA SER A 69 10.262 11.262 -3.084 1.00 0.00 C ATOM 1101 C SER A 69 11.560 10.449 -2.947 1.00 0.00 C ATOM 1102 O SER A 69 12.642 11.002 -3.129 1.00 0.00 O ATOM 1103 CB SER A 69 10.072 12.116 -1.821 1.00 0.00 C ATOM 1104 OG SER A 69 8.869 12.872 -1.880 1.00 0.00 O ATOM 0 H SER A 69 8.517 10.263 -2.480 1.00 0.00 H new ATOM 0 HA SER A 69 10.367 11.893 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.055 11.470 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.921 12.790 -1.705 1.00 0.00 H new ATOM 0 HG SER A 69 8.100 12.271 -1.789 1.00 0.00 H new ATOM 1110 N SER A 70 11.464 9.157 -2.606 1.00 0.00 N ATOM 1111 CA SER A 70 12.540 8.182 -2.306 1.00 0.00 C ATOM 1112 C SER A 70 13.288 8.469 -0.985 1.00 0.00 C ATOM 1113 O SER A 70 13.639 7.542 -0.250 1.00 0.00 O ATOM 1114 CB SER A 70 13.517 8.005 -3.489 1.00 0.00 C ATOM 1115 OG SER A 70 14.356 9.129 -3.700 1.00 0.00 O ATOM 0 H SER A 70 10.547 8.719 -2.523 1.00 0.00 H new ATOM 0 HA SER A 70 12.029 7.230 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.137 7.127 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.945 7.812 -4.397 1.00 0.00 H new ATOM 0 HG SER A 70 13.895 9.941 -3.403 1.00 0.00 H new ATOM 1121 N TRP A 71 13.484 9.747 -0.648 1.00 0.00 N ATOM 1122 CA TRP A 71 14.009 10.222 0.630 1.00 0.00 C ATOM 1123 C TRP A 71 12.979 10.016 1.774 1.00 0.00 C ATOM 1124 O TRP A 71 11.789 10.285 1.567 1.00 0.00 O ATOM 1125 CB TRP A 71 14.399 11.691 0.446 1.00 0.00 C ATOM 1126 CG TRP A 71 14.864 12.400 1.674 1.00 0.00 C ATOM 1127 CD1 TRP A 71 14.076 13.159 2.462 1.00 0.00 C ATOM 1128 CD2 TRP A 71 16.194 12.446 2.283 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.813 13.676 3.503 1.00 0.00 N ATOM 1130 CE2 TRP A 71 16.129 13.275 3.446 1.00 0.00 C ATOM 1131 CE3 TRP A 71 17.450 11.872 1.977 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 17.245 13.528 4.258 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 18.578 12.118 2.785 1.00 0.00 C ATOM 1134 CH2 TRP A 71 18.478 12.942 3.923 1.00 0.00 C ATOM 0 H TRP A 71 13.271 10.511 -1.289 1.00 0.00 H new ATOM 0 HA TRP A 71 14.887 9.648 0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.189 11.746 -0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.540 12.227 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.023 13.335 2.300 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.431 14.283 4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.546 11.235 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 17.158 14.163 5.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 19.527 11.671 2.530 1.00 0.00 H new ATOM 0 HH2 TRP A 71 19.348 13.123 4.537 1.00 0.00 H new ATOM 1145 N PRO A 72 13.399 9.549 2.972 1.00 0.00 N ATOM 1146 CA PRO A 72 12.477 9.111 4.022 1.00 0.00 C ATOM 1147 C PRO A 72 11.962 10.204 4.973 1.00 0.00 C ATOM 1148 O PRO A 72 10.874 10.030 5.525 1.00 0.00 O ATOM 1149 CB PRO A 72 13.271 8.065 4.813 1.00 0.00 C ATOM 1150 CG PRO A 72 14.707 8.577 4.724 1.00 0.00 C ATOM 1151 CD PRO A 72 14.761 9.141 3.305 1.00 0.00 C ATOM 0 HA PRO A 72 11.564 8.743 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.931 7.998 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.170 7.070 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.914 9.341 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.434 7.779 4.873 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.445 9.988 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.125 8.391 2.602 1.00 0.00 H new ATOM 1159 N THR A 73 12.717 11.294 5.200 1.00 0.00 N ATOM 1160 CA THR A 73 12.432 12.281 6.261 1.00 0.00 C ATOM 1161 C THR A 73 11.788 13.559 5.727 1.00 0.00 C ATOM 1162 O THR A 73 12.323 14.194 4.823 1.00 0.00 O ATOM 1163 CB THR A 73 13.727 12.623 7.013 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.347 11.435 7.459 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.454 13.498 8.236 1.00 0.00 C ATOM 0 H THR A 73 13.547 11.517 4.650 1.00 0.00 H new ATOM 0 HA THR A 73 11.712 11.823 6.939 1.00 0.00 H new ATOM 0 HB THR A 73 14.371 13.166 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.173 11.657 7.937 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.394 13.719 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.984 14.429 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.789 12.970 8.920 1.00 0.00 H new ATOM 1173 N PHE A 74 10.687 13.981 6.351 1.00 0.00 N ATOM 1174 CA PHE A 74 10.007 15.256 6.087 1.00 0.00 C ATOM 1175 C PHE A 74 10.073 16.173 7.331 1.00 0.00 C ATOM 1176 O PHE A 74 10.109 15.648 8.451 1.00 0.00 O ATOM 1177 CB PHE A 74 8.553 14.973 5.671 1.00 0.00 C ATOM 1178 CG PHE A 74 8.439 14.247 4.342 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.640 12.856 4.276 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.192 14.972 3.160 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.653 12.204 3.035 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.196 14.317 1.917 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.441 12.935 1.854 1.00 0.00 C ATOM 0 H PHE A 74 10.228 13.430 7.076 1.00 0.00 H new ATOM 0 HA PHE A 74 10.508 15.780 5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.070 14.377 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.010 15.916 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.785 12.289 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.999 16.034 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.826 11.139 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.011 14.875 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.466 12.434 0.897 1.00 0.00 H new ATOM 1193 N PRO A 75 10.037 17.520 7.184 1.00 0.00 N ATOM 1194 CA PRO A 75 9.999 18.305 5.943 1.00 0.00 C ATOM 1195 C PRO A 75 11.214 18.122 5.022 1.00 0.00 C ATOM 1196 O PRO A 75 12.294 17.750 5.478 1.00 0.00 O ATOM 1197 CB PRO A 75 9.926 19.772 6.389 1.00 0.00 C ATOM 1198 CG PRO A 75 9.299 19.699 7.777 1.00 0.00 C ATOM 1199 CD PRO A 75 9.908 18.413 8.326 1.00 0.00 C ATOM 0 HA PRO A 75 9.147 17.971 5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.914 20.230 6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.320 20.368 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.554 20.565 8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.211 19.650 7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.878 18.604 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.272 17.976 9.095 1.00 0.00 H new ATOM 1207 N GLN A 76 11.035 18.422 3.727 1.00 0.00 N ATOM 1208 CA GLN A 76 12.061 18.300 2.680 1.00 0.00 C ATOM 1209 C GLN A 76 11.640 19.031 1.400 1.00 0.00 C ATOM 1210 O GLN A 76 10.450 19.138 1.092 1.00 0.00 O ATOM 1211 CB GLN A 76 12.420 16.822 2.398 1.00 0.00 C ATOM 1212 CG GLN A 76 11.238 15.934 1.970 1.00 0.00 C ATOM 1213 CD GLN A 76 11.160 15.718 0.459 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.640 14.727 -0.078 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.556 16.624 -0.283 1.00 0.00 N ATOM 0 H GLN A 76 10.145 18.767 3.368 1.00 0.00 H new ATOM 0 HA GLN A 76 12.964 18.783 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.179 16.791 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.869 16.396 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.322 14.966 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.308 16.388 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.152 17.453 0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.492 16.496 -1.293 1.00 0.00 H new ATOM 1224 N LEU A 77 12.623 19.503 0.632 1.00 0.00 N ATOM 1225 CA LEU A 77 12.431 20.211 -0.634 1.00 0.00 C ATOM 1226 C LEU A 77 12.413 19.220 -1.817 1.00 0.00 C ATOM 1227 O LEU A 77 12.906 18.098 -1.728 1.00 0.00 O ATOM 1228 CB LEU A 77 13.548 21.279 -0.719 1.00 0.00 C ATOM 1229 CG LEU A 77 13.527 22.252 -1.917 1.00 0.00 C ATOM 1230 CD1 LEU A 77 12.247 23.099 -1.946 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.762 23.158 -1.859 1.00 0.00 C ATOM 0 H LEU A 77 13.606 19.400 0.882 1.00 0.00 H new ATOM 0 HA LEU A 77 11.464 20.712 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.513 21.873 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.507 20.760 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 77 13.544 21.662 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.274 23.770 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.379 22.444 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.178 23.685 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.749 23.846 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.753 23.726 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.664 22.547 -1.902 1.00 0.00 H new ATOM 1243 N TYR A 78 11.842 19.633 -2.948 1.00 0.00 N ATOM 1244 CA TYR A 78 11.782 18.844 -4.183 1.00 0.00 C ATOM 1245 C TYR A 78 11.766 19.772 -5.404 1.00 0.00 C ATOM 1246 O TYR A 78 11.110 20.817 -5.372 1.00 0.00 O ATOM 1247 CB TYR A 78 10.530 17.956 -4.141 1.00 0.00 C ATOM 1248 CG TYR A 78 10.523 16.806 -5.124 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.183 17.033 -6.471 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.844 15.505 -4.690 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.156 15.960 -7.379 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.817 14.429 -5.599 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.454 14.652 -6.944 1.00 0.00 C ATOM 1254 OH TYR A 78 10.381 13.616 -7.823 1.00 0.00 O ATOM 0 H TYR A 78 11.397 20.547 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 78 12.664 18.209 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.424 17.553 -3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.656 18.579 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.943 18.031 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.111 15.332 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.906 16.138 -8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.074 13.434 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 78 9.480 13.231 -7.801 1.00 0.00 H new ATOM 1264 N ILE A 79 12.481 19.425 -6.476 1.00 0.00 N ATOM 1265 CA ILE A 79 12.589 20.273 -7.675 1.00 0.00 C ATOM 1266 C ILE A 79 12.605 19.422 -8.957 1.00 0.00 C ATOM 1267 O ILE A 79 13.410 18.498 -9.064 1.00 0.00 O ATOM 1268 CB ILE A 79 13.837 21.203 -7.619 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.047 21.899 -6.249 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.685 22.253 -8.734 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.297 22.787 -6.160 1.00 0.00 C ATOM 0 H ILE A 79 13.002 18.551 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 79 11.705 20.910 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 79 14.723 20.584 -7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.170 22.508 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.106 21.134 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.545 22.923 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.628 21.752 -9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.774 22.829 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.359 23.230 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.186 22.184 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.235 23.579 -6.907 1.00 0.00 H new ATOM 1283 N ASP A 80 11.707 19.735 -9.903 1.00 0.00 N ATOM 1284 CA ASP A 80 11.620 19.253 -11.303 1.00 0.00 C ATOM 1285 C ASP A 80 11.369 17.740 -11.522 1.00 0.00 C ATOM 1286 O ASP A 80 10.812 17.350 -12.551 1.00 0.00 O ATOM 1287 CB ASP A 80 12.877 19.711 -12.065 1.00 0.00 C ATOM 1288 CG ASP A 80 12.754 19.502 -13.581 1.00 0.00 C ATOM 1289 OD1 ASP A 80 12.000 20.273 -14.224 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.438 18.604 -14.126 1.00 0.00 O ATOM 0 H ASP A 80 10.953 20.390 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 80 10.709 19.705 -11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.058 20.766 -11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.743 19.162 -11.695 1.00 0.00 H new ATOM 1295 N GLY A 81 11.753 16.894 -10.563 1.00 0.00 N ATOM 1296 CA GLY A 81 11.768 15.431 -10.662 1.00 0.00 C ATOM 1297 C GLY A 81 12.711 14.721 -9.680 1.00 0.00 C ATOM 1298 O GLY A 81 12.920 13.517 -9.832 1.00 0.00 O ATOM 0 H GLY A 81 12.077 17.225 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.755 15.061 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.051 15.154 -11.678 1.00 0.00 H new ATOM 1302 N GLU A 82 13.278 15.425 -8.690 1.00 0.00 N ATOM 1303 CA GLU A 82 14.125 14.842 -7.647 1.00 0.00 C ATOM 1304 C GLU A 82 14.018 15.637 -6.332 1.00 0.00 C ATOM 1305 O GLU A 82 13.753 16.845 -6.337 1.00 0.00 O ATOM 1306 CB GLU A 82 15.578 14.769 -8.156 1.00 0.00 C ATOM 1307 CG GLU A 82 16.480 13.872 -7.300 1.00 0.00 C ATOM 1308 CD GLU A 82 17.830 13.631 -7.992 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.724 14.504 -7.915 1.00 0.00 O ATOM 1310 OE2 GLU A 82 18.007 12.562 -8.625 1.00 0.00 O ATOM 0 H GLU A 82 13.157 16.433 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 82 13.781 13.831 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.578 14.398 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.997 15.775 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.643 14.336 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.984 12.918 -7.119 1.00 0.00 H new ATOM 1317 N PHE A 83 14.218 14.956 -5.199 1.00 0.00 N ATOM 1318 CA PHE A 83 14.261 15.577 -3.874 1.00 0.00 C ATOM 1319 C PHE A 83 15.532 16.404 -3.654 1.00 0.00 C ATOM 1320 O PHE A 83 16.558 16.230 -4.318 1.00 0.00 O ATOM 1321 CB PHE A 83 14.055 14.522 -2.773 1.00 0.00 C ATOM 1322 CG PHE A 83 15.315 13.779 -2.376 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.734 12.641 -3.094 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.091 14.253 -1.299 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.929 11.989 -2.744 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.288 13.606 -0.955 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.710 12.476 -1.680 1.00 0.00 C ATOM 0 H PHE A 83 14.356 13.946 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 83 13.434 16.285 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.642 15.011 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.313 13.799 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.137 12.270 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.764 15.116 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.248 11.114 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.885 13.975 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.634 11.982 -1.419 1.00 0.00 H new ATOM 1337 N PHE A 84 15.446 17.289 -2.663 1.00 0.00 N ATOM 1338 CA PHE A 84 16.555 18.048 -2.120 1.00 0.00 C ATOM 1339 C PHE A 84 16.469 18.046 -0.581 1.00 0.00 C ATOM 1340 O PHE A 84 15.390 18.056 0.015 1.00 0.00 O ATOM 1341 CB PHE A 84 16.557 19.451 -2.746 1.00 0.00 C ATOM 1342 CG PHE A 84 17.849 20.205 -2.515 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.060 20.899 -1.310 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.865 20.170 -3.489 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.293 21.526 -1.072 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.092 20.815 -3.258 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.310 21.482 -2.041 1.00 0.00 C ATOM 0 H PHE A 84 14.561 17.501 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 84 17.513 17.594 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.382 19.364 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.729 20.027 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.275 20.949 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.701 19.645 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.461 22.045 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.864 20.798 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.259 21.961 -1.850 1.00 0.00 H new ATOM 1357 N GLY A 85 17.643 17.983 0.049 1.00 0.00 N ATOM 1358 CA GLY A 85 17.823 17.774 1.496 1.00 0.00 C ATOM 1359 C GLY A 85 17.332 18.920 2.398 1.00 0.00 C ATOM 1360 O GLY A 85 16.785 19.927 1.943 1.00 0.00 O ATOM 0 H GLY A 85 18.529 18.079 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.300 16.861 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.882 17.609 1.692 1.00 0.00 H new ATOM 1364 N GLY A 86 17.523 18.734 3.713 1.00 0.00 N ATOM 1365 CA GLY A 86 17.022 19.625 4.773 1.00 0.00 C ATOM 1366 C GLY A 86 17.746 20.970 4.868 1.00 0.00 C ATOM 1367 O GLY A 86 18.584 21.309 4.032 1.00 0.00 O ATOM 0 H GLY A 86 18.045 17.938 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.961 19.809 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.108 19.112 5.731 1.00 0.00 H new ATOM 1371 N CYS A 87 17.417 21.761 5.891 1.00 0.00 N ATOM 1372 CA CYS A 87 17.887 23.148 6.030 1.00 0.00 C ATOM 1373 C CYS A 87 19.414 23.262 6.111 1.00 0.00 C ATOM 1374 O CYS A 87 20.001 24.074 5.400 1.00 0.00 O ATOM 1375 CB CYS A 87 17.192 23.775 7.244 1.00 0.00 C ATOM 1376 SG CYS A 87 17.545 25.555 7.272 1.00 0.00 S ATOM 0 H CYS A 87 16.812 21.458 6.654 1.00 0.00 H new ATOM 0 HA CYS A 87 17.619 23.700 5.129 1.00 0.00 H new ATOM 0 HB2 CYS A 87 16.117 23.605 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 87 17.544 23.307 8.163 1.00 0.00 H new ATOM 0 HG CYS A 87 16.958 26.098 8.297 1.00 0.00 H new ATOM 1382 N ASP A 88 20.074 22.419 6.903 1.00 0.00 N ATOM 1383 CA ASP A 88 21.537 22.438 7.041 1.00 0.00 C ATOM 1384 C ASP A 88 22.234 22.143 5.698 1.00 0.00 C ATOM 1385 O ASP A 88 23.130 22.880 5.285 1.00 0.00 O ATOM 1386 CB ASP A 88 21.946 21.441 8.130 1.00 0.00 C ATOM 1387 CG ASP A 88 23.454 21.488 8.422 1.00 0.00 C ATOM 1388 OD1 ASP A 88 23.941 22.530 8.920 1.00 0.00 O ATOM 1389 OD2 ASP A 88 24.143 20.470 8.180 1.00 0.00 O ATOM 0 H ASP A 88 19.615 21.704 7.467 1.00 0.00 H new ATOM 0 HA ASP A 88 21.860 23.436 7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 88 21.394 21.657 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.669 20.433 7.821 1.00 0.00 H new ATOM 1394 N ILE A 89 21.742 21.135 4.963 1.00 0.00 N ATOM 1395 CA ILE A 89 22.193 20.823 3.592 1.00 0.00 C ATOM 1396 C ILE A 89 21.957 22.026 2.665 1.00 0.00 C ATOM 1397 O ILE A 89 22.855 22.402 1.913 1.00 0.00 O ATOM 1398 CB ILE A 89 21.505 19.529 3.073 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.971 18.309 3.908 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.791 19.302 1.575 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.193 17.015 3.632 1.00 0.00 C ATOM 0 H ILE A 89 21.014 20.506 5.303 1.00 0.00 H new ATOM 0 HA ILE A 89 23.266 20.631 3.602 1.00 0.00 H new ATOM 0 HB ILE A 89 20.428 19.647 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 89 23.028 18.132 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.881 18.553 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.296 18.389 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.414 20.148 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.866 19.208 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.585 16.214 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.138 17.169 3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.303 16.741 2.583 1.00 0.00 H new ATOM 1413 N THR A 90 20.782 22.663 2.764 1.00 0.00 N ATOM 1414 CA THR A 90 20.387 23.840 1.969 1.00 0.00 C ATOM 1415 C THR A 90 21.303 25.029 2.253 1.00 0.00 C ATOM 1416 O THR A 90 21.773 25.656 1.311 1.00 0.00 O ATOM 1417 CB THR A 90 18.908 24.193 2.207 1.00 0.00 C ATOM 1418 OG1 THR A 90 18.099 23.071 1.933 1.00 0.00 O ATOM 1419 CG2 THR A 90 18.418 25.306 1.280 1.00 0.00 C ATOM 0 H THR A 90 20.057 22.367 3.418 1.00 0.00 H new ATOM 0 HA THR A 90 20.499 23.589 0.914 1.00 0.00 H new ATOM 0 HB THR A 90 18.835 24.516 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.220 22.400 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.369 25.517 1.488 1.00 0.00 H new ATOM 0 HG22 THR A 90 19.010 26.206 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.525 24.989 0.243 1.00 0.00 H new ATOM 1427 N VAL A 91 21.611 25.305 3.522 1.00 0.00 N ATOM 1428 CA VAL A 91 22.543 26.364 3.945 1.00 0.00 C ATOM 1429 C VAL A 91 23.963 26.109 3.415 1.00 0.00 C ATOM 1430 O VAL A 91 24.577 27.032 2.883 1.00 0.00 O ATOM 1431 CB VAL A 91 22.541 26.526 5.488 1.00 0.00 C ATOM 1432 CG1 VAL A 91 23.701 27.396 6.010 1.00 0.00 C ATOM 1433 CG2 VAL A 91 21.227 27.168 5.963 1.00 0.00 C ATOM 0 H VAL A 91 21.212 24.789 4.306 1.00 0.00 H new ATOM 0 HA VAL A 91 22.195 27.301 3.510 1.00 0.00 H new ATOM 0 HB VAL A 91 22.656 25.518 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.641 27.469 7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 91 24.651 26.942 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 23.632 28.393 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 91 21.245 27.273 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.116 28.151 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 91 20.388 26.536 5.674 1.00 0.00 H new ATOM 1443 N GLU A 92 24.486 24.878 3.517 1.00 0.00 N ATOM 1444 CA GLU A 92 25.814 24.541 2.986 1.00 0.00 C ATOM 1445 C GLU A 92 25.863 24.617 1.453 1.00 0.00 C ATOM 1446 O GLU A 92 26.823 25.157 0.901 1.00 0.00 O ATOM 1447 CB GLU A 92 26.254 23.143 3.453 1.00 0.00 C ATOM 1448 CG GLU A 92 26.602 23.098 4.947 1.00 0.00 C ATOM 1449 CD GLU A 92 27.267 21.763 5.331 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.710 20.681 5.026 1.00 0.00 O ATOM 1451 OE2 GLU A 92 28.366 21.792 5.938 1.00 0.00 O ATOM 0 H GLU A 92 24.007 24.097 3.964 1.00 0.00 H new ATOM 0 HA GLU A 92 26.506 25.285 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.456 22.429 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.121 22.827 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 27.272 23.923 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.696 23.238 5.537 1.00 0.00 H new ATOM 1458 N ALA A 93 24.835 24.126 0.756 1.00 0.00 N ATOM 1459 CA ALA A 93 24.747 24.151 -0.704 1.00 0.00 C ATOM 1460 C ALA A 93 24.588 25.575 -1.258 1.00 0.00 C ATOM 1461 O ALA A 93 25.187 25.898 -2.281 1.00 0.00 O ATOM 1462 CB ALA A 93 23.585 23.241 -1.118 1.00 0.00 C ATOM 0 H ALA A 93 24.026 23.692 1.200 1.00 0.00 H new ATOM 0 HA ALA A 93 25.680 23.783 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.494 23.239 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.775 22.226 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.659 23.610 -0.677 1.00 0.00 H new ATOM 1468 N TYR A 94 23.833 26.443 -0.584 1.00 0.00 N ATOM 1469 CA TYR A 94 23.720 27.872 -0.899 1.00 0.00 C ATOM 1470 C TYR A 94 25.077 28.585 -0.788 1.00 0.00 C ATOM 1471 O TYR A 94 25.486 29.280 -1.719 1.00 0.00 O ATOM 1472 CB TYR A 94 22.669 28.492 0.035 1.00 0.00 C ATOM 1473 CG TYR A 94 22.492 29.994 -0.103 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.751 30.526 -1.178 1.00 0.00 C ATOM 1475 CD2 TYR A 94 23.067 30.858 0.849 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.576 31.918 -1.297 1.00 0.00 C ATOM 1477 CE2 TYR A 94 22.900 32.251 0.729 1.00 0.00 C ATOM 1478 CZ TYR A 94 22.152 32.785 -0.342 1.00 0.00 C ATOM 1479 OH TYR A 94 21.994 34.133 -0.451 1.00 0.00 O ATOM 0 H TYR A 94 23.267 26.167 0.218 1.00 0.00 H new ATOM 0 HA TYR A 94 23.401 27.995 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.709 28.010 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.943 28.267 1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.316 29.864 -1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 94 23.637 30.452 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.002 32.322 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 94 23.345 32.912 1.458 1.00 0.00 H new ATOM 0 HH TYR A 94 22.455 34.577 0.291 1.00 0.00 H new ATOM 1489 N LYS A 95 25.809 28.351 0.307 1.00 0.00 N ATOM 1490 CA LYS A 95 27.145 28.921 0.541 1.00 0.00 C ATOM 1491 C LYS A 95 28.228 28.328 -0.381 1.00 0.00 C ATOM 1492 O LYS A 95 29.154 29.033 -0.780 1.00 0.00 O ATOM 1493 CB LYS A 95 27.517 28.717 2.020 1.00 0.00 C ATOM 1494 CG LYS A 95 26.707 29.632 2.955 1.00 0.00 C ATOM 1495 CD LYS A 95 27.080 29.389 4.423 1.00 0.00 C ATOM 1496 CE LYS A 95 26.300 30.351 5.332 1.00 0.00 C ATOM 1497 NZ LYS A 95 26.694 30.208 6.758 1.00 0.00 N ATOM 0 H LYS A 95 25.487 27.752 1.068 1.00 0.00 H new ATOM 0 HA LYS A 95 27.102 29.984 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 95 27.346 27.676 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 95 28.581 28.912 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 95 26.891 30.675 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 95 25.642 29.452 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.858 28.357 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 95 28.151 29.533 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 95 26.474 31.377 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.232 30.161 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 26.145 30.874 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 26.505 29.236 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 27.708 30.414 6.860 1.00 0.00 H new ATOM 1511 N SER A 96 28.107 27.050 -0.755 1.00 0.00 N ATOM 1512 CA SER A 96 29.061 26.364 -1.649 1.00 0.00 C ATOM 1513 C SER A 96 28.783 26.617 -3.148 1.00 0.00 C ATOM 1514 O SER A 96 29.625 26.304 -3.989 1.00 0.00 O ATOM 1515 CB SER A 96 29.044 24.851 -1.366 1.00 0.00 C ATOM 1516 OG SER A 96 29.271 24.560 0.007 1.00 0.00 O ATOM 0 H SER A 96 27.340 26.453 -0.446 1.00 0.00 H new ATOM 0 HA SER A 96 30.045 26.781 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 96 28.082 24.437 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.807 24.361 -1.971 1.00 0.00 H new ATOM 0 HG SER A 96 28.456 24.743 0.519 1.00 0.00 H new ATOM 1522 N GLY A 97 27.602 27.162 -3.491 1.00 0.00 N ATOM 1523 CA GLY A 97 27.174 27.454 -4.871 1.00 0.00 C ATOM 1524 C GLY A 97 26.371 26.327 -5.523 1.00 0.00 C ATOM 1525 O GLY A 97 25.823 26.510 -6.607 1.00 0.00 O ATOM 0 H GLY A 97 26.900 27.418 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.571 28.362 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 97 28.056 27.657 -5.479 1.00 0.00 H new ATOM 1529 N GLU A 98 26.251 25.176 -4.858 1.00 0.00 N ATOM 1530 CA GLU A 98 25.626 23.961 -5.394 1.00 0.00 C ATOM 1531 C GLU A 98 24.107 24.109 -5.523 1.00 0.00 C ATOM 1532 O GLU A 98 23.529 23.649 -6.505 1.00 0.00 O ATOM 1533 CB GLU A 98 25.977 22.756 -4.502 1.00 0.00 C ATOM 1534 CG GLU A 98 27.489 22.556 -4.330 1.00 0.00 C ATOM 1535 CD GLU A 98 27.789 21.230 -3.618 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.797 21.202 -2.366 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.024 20.208 -4.308 1.00 0.00 O ATOM 0 H GLU A 98 26.595 25.058 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 98 26.020 23.796 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.520 22.892 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.544 21.854 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.975 22.567 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.906 23.384 -3.757 1.00 0.00 H new ATOM 1544 N LEU A 99 23.450 24.795 -4.577 1.00 0.00 N ATOM 1545 CA LEU A 99 22.022 25.128 -4.692 1.00 0.00 C ATOM 1546 C LEU A 99 21.800 26.144 -5.817 1.00 0.00 C ATOM 1547 O LEU A 99 20.887 25.975 -6.617 1.00 0.00 O ATOM 1548 CB LEU A 99 21.506 25.664 -3.339 1.00 0.00 C ATOM 1549 CG LEU A 99 19.994 25.985 -3.308 1.00 0.00 C ATOM 1550 CD1 LEU A 99 19.128 24.720 -3.386 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.666 26.743 -2.016 1.00 0.00 C ATOM 0 H LEU A 99 23.887 25.132 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 99 21.458 24.230 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.724 24.928 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 99 22.061 26.567 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 99 19.767 26.594 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 99 18.074 24.998 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.341 24.190 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.353 24.072 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.601 26.972 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.926 26.126 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 99 20.237 27.671 -1.983 1.00 0.00 H new ATOM 1563 N GLN A 100 22.660 27.165 -5.902 1.00 0.00 N ATOM 1564 CA GLN A 100 22.569 28.232 -6.910 1.00 0.00 C ATOM 1565 C GLN A 100 22.635 27.634 -8.324 1.00 0.00 C ATOM 1566 O GLN A 100 21.758 27.887 -9.149 1.00 0.00 O ATOM 1567 CB GLN A 100 23.702 29.267 -6.719 1.00 0.00 C ATOM 1568 CG GLN A 100 23.910 29.775 -5.276 1.00 0.00 C ATOM 1569 CD GLN A 100 24.982 30.870 -5.186 1.00 0.00 C ATOM 1570 OE1 GLN A 100 25.161 31.697 -6.071 1.00 0.00 O ATOM 1571 NE2 GLN A 100 25.751 30.918 -4.117 1.00 0.00 N ATOM 0 H GLN A 100 23.449 27.277 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 100 21.613 28.740 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 100 24.635 28.824 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.497 30.124 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.967 30.162 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 100 24.195 28.939 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.622 30.241 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.475 31.633 -4.041 1.00 0.00 H new ATOM 1580 N GLU A 101 23.626 26.766 -8.561 1.00 0.00 N ATOM 1581 CA GLU A 101 23.803 26.026 -9.809 1.00 0.00 C ATOM 1582 C GLU A 101 22.608 25.111 -10.111 1.00 0.00 C ATOM 1583 O GLU A 101 22.076 25.161 -11.219 1.00 0.00 O ATOM 1584 CB GLU A 101 25.096 25.195 -9.717 1.00 0.00 C ATOM 1585 CG GLU A 101 26.371 26.023 -9.931 1.00 0.00 C ATOM 1586 CD GLU A 101 26.548 26.439 -11.400 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.883 25.567 -12.239 1.00 0.00 O ATOM 1588 OE2 GLU A 101 26.368 27.637 -11.720 1.00 0.00 O ATOM 0 H GLU A 101 24.345 26.556 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 101 23.871 26.744 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.143 24.717 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.060 24.398 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.334 26.914 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 101 27.237 25.444 -9.611 1.00 0.00 H new ATOM 1595 N GLN A 102 22.159 24.292 -9.150 1.00 0.00 N ATOM 1596 CA GLN A 102 21.058 23.350 -9.381 1.00 0.00 C ATOM 1597 C GLN A 102 19.705 24.050 -9.573 1.00 0.00 C ATOM 1598 O GLN A 102 18.947 23.636 -10.447 1.00 0.00 O ATOM 1599 CB GLN A 102 20.992 22.309 -8.255 1.00 0.00 C ATOM 1600 CG GLN A 102 22.149 21.297 -8.368 1.00 0.00 C ATOM 1601 CD GLN A 102 22.253 20.394 -7.140 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.853 19.237 -7.140 1.00 0.00 O ATOM 1603 NE2 GLN A 102 22.793 20.897 -6.052 1.00 0.00 N ATOM 0 H GLN A 102 22.542 24.264 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 102 21.271 22.836 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 102 21.036 22.811 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.039 21.783 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.005 20.682 -9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 102 23.088 21.835 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 102 23.128 21.861 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.877 20.324 -5.213 1.00 0.00 H new ATOM 1612 N VAL A 103 19.404 25.117 -8.821 1.00 0.00 N ATOM 1613 CA VAL A 103 18.162 25.897 -8.993 1.00 0.00 C ATOM 1614 C VAL A 103 18.131 26.556 -10.380 1.00 0.00 C ATOM 1615 O VAL A 103 17.114 26.451 -11.065 1.00 0.00 O ATOM 1616 CB VAL A 103 17.964 26.939 -7.866 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.831 27.942 -8.155 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.628 26.231 -6.539 1.00 0.00 C ATOM 0 H VAL A 103 20.009 25.466 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 103 17.324 25.203 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 103 18.904 27.487 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.746 28.644 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.054 28.489 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.890 27.404 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.491 26.975 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.711 25.654 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.444 25.562 -6.267 1.00 0.00 H new ATOM 1628 N GLU A 104 19.227 27.183 -10.832 1.00 0.00 N ATOM 1629 CA GLU A 104 19.289 27.785 -12.166 1.00 0.00 C ATOM 1630 C GLU A 104 19.130 26.728 -13.274 1.00 0.00 C ATOM 1631 O GLU A 104 18.305 26.891 -14.175 1.00 0.00 O ATOM 1632 CB GLU A 104 20.622 28.533 -12.345 1.00 0.00 C ATOM 1633 CG GLU A 104 20.660 29.885 -11.619 1.00 0.00 C ATOM 1634 CD GLU A 104 19.749 30.924 -12.291 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.149 31.494 -13.333 1.00 0.00 O ATOM 1636 OE2 GLU A 104 18.639 31.194 -11.773 1.00 0.00 O ATOM 0 H GLU A 104 20.084 27.285 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 104 18.461 28.488 -12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.435 27.907 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.801 28.694 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.352 29.749 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.684 30.258 -11.601 1.00 0.00 H new ATOM 1643 N LYS A 105 19.850 25.603 -13.181 1.00 0.00 N ATOM 1644 CA LYS A 105 19.765 24.517 -14.164 1.00 0.00 C ATOM 1645 C LYS A 105 18.370 23.872 -14.195 1.00 0.00 C ATOM 1646 O LYS A 105 17.867 23.578 -15.281 1.00 0.00 O ATOM 1647 CB LYS A 105 20.876 23.488 -13.885 1.00 0.00 C ATOM 1648 CG LYS A 105 22.255 24.038 -14.289 1.00 0.00 C ATOM 1649 CD LYS A 105 23.394 23.104 -13.859 1.00 0.00 C ATOM 1650 CE LYS A 105 24.735 23.736 -14.258 1.00 0.00 C ATOM 1651 NZ LYS A 105 25.897 22.902 -13.848 1.00 0.00 N ATOM 0 H LYS A 105 20.507 25.421 -12.423 1.00 0.00 H new ATOM 0 HA LYS A 105 19.918 24.934 -15.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.880 23.231 -12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.672 22.570 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.288 24.176 -15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.401 25.019 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.360 22.940 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.281 22.129 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.758 23.882 -15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.819 24.722 -13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.530 23.462 -13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.559 22.071 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 26.415 22.589 -14.694 1.00 0.00 H new ATOM 1665 N ALA A 106 17.705 23.710 -13.044 1.00 0.00 N ATOM 1666 CA ALA A 106 16.331 23.203 -12.963 1.00 0.00 C ATOM 1667 C ALA A 106 15.301 24.167 -13.580 1.00 0.00 C ATOM 1668 O ALA A 106 14.349 23.712 -14.212 1.00 0.00 O ATOM 1669 CB ALA A 106 16.004 22.900 -11.496 1.00 0.00 C ATOM 0 H ALA A 106 18.111 23.930 -12.134 1.00 0.00 H new ATOM 0 HA ALA A 106 16.267 22.289 -13.554 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.984 22.522 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.698 22.150 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 106 16.097 23.812 -10.907 1.00 0.00 H new ATOM 1675 N MET A 107 15.489 25.487 -13.443 1.00 0.00 N ATOM 1676 CA MET A 107 14.623 26.495 -14.074 1.00 0.00 C ATOM 1677 C MET A 107 14.771 26.499 -15.604 1.00 0.00 C ATOM 1678 O MET A 107 13.762 26.573 -16.309 1.00 0.00 O ATOM 1679 CB MET A 107 14.902 27.893 -13.499 1.00 0.00 C ATOM 1680 CG MET A 107 14.415 28.040 -12.051 1.00 0.00 C ATOM 1681 SD MET A 107 12.620 27.948 -11.811 1.00 0.00 S ATOM 1682 CE MET A 107 12.609 28.153 -10.016 1.00 0.00 C ATOM 0 H MET A 107 16.247 25.887 -12.891 1.00 0.00 H new ATOM 0 HA MET A 107 13.592 26.225 -13.845 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.973 28.093 -13.541 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.413 28.643 -14.121 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.884 27.262 -11.449 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.766 28.997 -11.665 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.583 28.108 -9.651 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.193 27.356 -9.555 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.044 29.118 -9.757 1.00 0.00 H new ATOM 1692 N CYS A 108 15.997 26.359 -16.127 1.00 0.00 N ATOM 1693 CA CYS A 108 16.240 26.156 -17.563 1.00 0.00 C ATOM 1694 C CYS A 108 15.608 24.844 -18.076 1.00 0.00 C ATOM 1695 O CYS A 108 14.905 24.868 -19.090 1.00 0.00 O ATOM 1696 CB CYS A 108 17.756 26.188 -17.827 1.00 0.00 C ATOM 1697 SG CYS A 108 18.425 27.848 -17.496 1.00 0.00 S ATOM 0 H CYS A 108 16.849 26.383 -15.567 1.00 0.00 H new ATOM 0 HA CYS A 108 15.760 26.964 -18.116 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.257 25.455 -17.195 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.957 25.908 -18.861 1.00 0.00 H new ATOM 0 HG CYS A 108 18.600 27.998 -16.217 1.00 0.00 H new ATOM 1703 N SER A 109 15.835 23.744 -17.339 1.00 0.00 N ATOM 1704 CA SER A 109 15.357 22.341 -17.466 1.00 0.00 C ATOM 1705 C SER A 109 16.501 21.389 -17.832 1.00 0.00 C ATOM 1706 O SER A 109 17.182 21.615 -18.860 1.00 0.00 O ATOM 1707 CB SER A 109 14.193 22.111 -18.440 1.00 0.00 C ATOM 1708 OG SER A 109 13.139 23.006 -18.150 1.00 0.00 O ATOM 1709 OXT SER A 109 16.708 20.400 -17.093 1.00 0.00 O ATOM 0 H SER A 109 16.443 23.822 -16.524 1.00 0.00 H new ATOM 0 HA SER A 109 14.967 22.124 -16.472 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.532 22.255 -19.466 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.840 21.083 -18.362 1.00 0.00 H new ATOM 0 HG SER A 109 13.347 23.888 -18.522 1.00 0.00 H new