USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -118:sc= 1.34 USER MOD Set 1.2: A 65 TYR OH : rot 165:sc= 2.04 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= 1.92 (180deg=-2.35!) USER MOD Single : A 17 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.48) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 20 GLN : amide:sc= 0.419 K(o=0.42,f=-0.15) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.89) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.307 K(o=0.31,f=-6.1!) USER MOD Single : A 41 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.017) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= 0.353 (180deg=0.0442) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.068) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 85:sc= 1.2 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00394) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.938 1.576 13.339 1.00 0.00 N ATOM 2 CA GLY A 1 16.300 2.946 13.736 1.00 0.00 C ATOM 3 C GLY A 1 15.989 3.942 12.640 1.00 0.00 C ATOM 4 O GLY A 1 15.398 4.990 12.906 1.00 0.00 O ATOM 0 H1 GLY A 1 16.164 0.919 14.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.919 1.532 13.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.474 1.308 12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.758 3.219 14.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.362 2.988 13.976 1.00 0.00 H new ATOM 8 N MET A 2 16.398 3.644 11.408 1.00 0.00 N ATOM 9 CA MET A 2 16.059 4.383 10.204 1.00 0.00 C ATOM 10 C MET A 2 15.738 3.359 9.123 1.00 0.00 C ATOM 11 O MET A 2 16.267 3.439 8.020 1.00 0.00 O ATOM 12 CB MET A 2 17.194 5.364 9.841 1.00 0.00 C ATOM 13 CG MET A 2 17.421 6.399 10.951 1.00 0.00 C ATOM 14 SD MET A 2 18.837 7.500 10.743 1.00 0.00 S ATOM 15 CE MET A 2 18.667 8.424 12.295 1.00 0.00 C ATOM 0 H MET A 2 17.002 2.844 11.219 1.00 0.00 H new ATOM 0 HA MET A 2 15.181 5.015 10.339 1.00 0.00 H new ATOM 0 HB2 MET A 2 18.115 4.808 9.667 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.950 5.875 8.910 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.523 7.010 11.037 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.537 5.867 11.896 1.00 0.00 H new ATOM 0 HE1 MET A 2 19.460 9.169 12.364 1.00 0.00 H new ATOM 0 HE2 MET A 2 17.698 8.923 12.317 1.00 0.00 H new ATOM 0 HE3 MET A 2 18.741 7.737 13.138 1.00 0.00 H new ATOM 25 N VAL A 3 14.887 2.377 9.446 1.00 0.00 N ATOM 26 CA VAL A 3 14.443 1.384 8.477 1.00 0.00 C ATOM 27 C VAL A 3 13.544 2.097 7.474 1.00 0.00 C ATOM 28 O VAL A 3 12.427 2.517 7.793 1.00 0.00 O ATOM 29 CB VAL A 3 13.780 0.154 9.131 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.556 -0.925 8.060 1.00 0.00 C ATOM 31 CG2 VAL A 3 14.664 -0.454 10.231 1.00 0.00 C ATOM 0 H VAL A 3 14.494 2.254 10.379 1.00 0.00 H new ATOM 0 HA VAL A 3 15.303 0.960 7.959 1.00 0.00 H new ATOM 0 HB VAL A 3 12.840 0.483 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.088 -1.798 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.907 -0.532 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.514 -1.212 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.161 -1.318 10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.616 -0.767 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.843 0.290 11.007 1.00 0.00 H new ATOM 41 N LYS A 4 14.067 2.295 6.271 1.00 0.00 N ATOM 42 CA LYS A 4 13.331 2.804 5.116 1.00 0.00 C ATOM 43 C LYS A 4 13.359 1.831 3.939 1.00 0.00 C ATOM 44 O LYS A 4 13.009 2.199 2.814 1.00 0.00 O ATOM 45 CB LYS A 4 13.852 4.198 4.742 1.00 0.00 C ATOM 46 CG LYS A 4 13.325 5.325 5.639 1.00 0.00 C ATOM 47 CD LYS A 4 14.284 5.761 6.753 1.00 0.00 C ATOM 48 CE LYS A 4 13.904 7.196 7.119 1.00 0.00 C ATOM 49 NZ LYS A 4 14.732 7.784 8.186 1.00 0.00 N ATOM 0 H LYS A 4 15.046 2.100 6.063 1.00 0.00 H new ATOM 0 HA LYS A 4 12.280 2.898 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.941 4.191 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.577 4.412 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.097 6.190 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.387 5.002 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.197 5.104 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.319 5.708 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.982 7.819 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.860 7.216 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.414 8.756 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.640 7.213 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.727 7.799 7.885 1.00 0.00 H new ATOM 63 N GLU A 5 13.737 0.588 4.200 1.00 0.00 N ATOM 64 CA GLU A 5 13.869 -0.481 3.226 1.00 0.00 C ATOM 65 C GLU A 5 12.929 -1.631 3.603 1.00 0.00 C ATOM 66 O GLU A 5 13.368 -2.662 4.110 1.00 0.00 O ATOM 67 CB GLU A 5 15.349 -0.882 3.056 1.00 0.00 C ATOM 68 CG GLU A 5 16.134 -1.181 4.351 1.00 0.00 C ATOM 69 CD GLU A 5 16.967 0.005 4.845 1.00 0.00 C ATOM 70 OE1 GLU A 5 18.117 0.172 4.373 1.00 0.00 O ATOM 71 OE2 GLU A 5 16.502 0.773 5.722 1.00 0.00 O ATOM 0 H GLU A 5 13.971 0.285 5.145 1.00 0.00 H new ATOM 0 HA GLU A 5 13.556 -0.145 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.392 -1.765 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.861 -0.080 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.433 -1.474 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.793 -2.032 4.179 1.00 0.00 H new ATOM 78 N THR A 6 11.632 -1.467 3.332 1.00 0.00 N ATOM 79 CA THR A 6 10.641 -2.530 3.469 1.00 0.00 C ATOM 80 C THR A 6 9.705 -2.544 2.262 1.00 0.00 C ATOM 81 O THR A 6 9.534 -1.539 1.563 1.00 0.00 O ATOM 82 CB THR A 6 9.817 -2.403 4.771 1.00 0.00 C ATOM 83 OG1 THR A 6 9.977 -1.167 5.446 1.00 0.00 O ATOM 84 CG2 THR A 6 10.084 -3.557 5.730 1.00 0.00 C ATOM 0 H THR A 6 11.239 -0.583 3.008 1.00 0.00 H new ATOM 0 HA THR A 6 11.189 -3.471 3.518 1.00 0.00 H new ATOM 0 HB THR A 6 8.780 -2.444 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.425 -1.163 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.485 -3.427 6.631 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.818 -4.498 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.141 -3.572 5.996 1.00 0.00 H new ATOM 92 N THR A 7 9.070 -3.694 2.054 1.00 0.00 N ATOM 93 CA THR A 7 8.093 -3.927 1.015 1.00 0.00 C ATOM 94 C THR A 7 6.816 -3.097 1.208 1.00 0.00 C ATOM 95 O THR A 7 6.592 -2.402 2.204 1.00 0.00 O ATOM 96 CB THR A 7 7.826 -5.442 0.951 1.00 0.00 C ATOM 97 OG1 THR A 7 7.183 -5.790 -0.251 1.00 0.00 O ATOM 98 CG2 THR A 7 7.008 -5.965 2.136 1.00 0.00 C ATOM 0 H THR A 7 9.235 -4.518 2.633 1.00 0.00 H new ATOM 0 HA THR A 7 8.486 -3.590 0.056 1.00 0.00 H new ATOM 0 HB THR A 7 8.806 -5.916 0.998 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.307 -6.182 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.856 -7.039 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.544 -5.766 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.041 -5.463 2.160 1.00 0.00 H new ATOM 106 N TYR A 8 5.942 -3.248 0.222 1.00 0.00 N ATOM 107 CA TYR A 8 4.679 -2.561 0.030 1.00 0.00 C ATOM 108 C TYR A 8 3.707 -2.738 1.193 1.00 0.00 C ATOM 109 O TYR A 8 2.975 -1.799 1.500 1.00 0.00 O ATOM 110 CB TYR A 8 4.090 -3.077 -1.293 1.00 0.00 C ATOM 111 CG TYR A 8 4.948 -2.744 -2.501 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.476 -1.449 -2.667 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.268 -3.751 -3.429 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.335 -1.163 -3.739 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.152 -3.484 -4.487 1.00 0.00 C ATOM 116 CZ TYR A 8 6.713 -2.195 -4.626 1.00 0.00 C ATOM 117 OH TYR A 8 7.627 -1.929 -5.598 1.00 0.00 O ATOM 0 H TYR A 8 6.118 -3.915 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 8 4.853 -1.486 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.966 -4.158 -1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.097 -2.650 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.218 -0.671 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.832 -4.734 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.705 -0.159 -3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.402 -4.262 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 8 7.786 -2.738 -6.128 1.00 0.00 H new ATOM 127 N TYR A 9 3.709 -3.891 1.860 1.00 0.00 N ATOM 128 CA TYR A 9 2.854 -4.122 3.018 1.00 0.00 C ATOM 129 C TYR A 9 3.134 -3.089 4.116 1.00 0.00 C ATOM 130 O TYR A 9 2.222 -2.388 4.550 1.00 0.00 O ATOM 131 CB TYR A 9 3.080 -5.531 3.563 1.00 0.00 C ATOM 132 CG TYR A 9 2.472 -6.675 2.770 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.074 -6.812 2.678 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.298 -7.688 2.250 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.508 -7.958 2.095 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.734 -8.837 1.671 1.00 0.00 C ATOM 137 CZ TYR A 9 1.335 -8.982 1.598 1.00 0.00 C ATOM 138 OH TYR A 9 0.784 -10.105 1.069 1.00 0.00 O ATOM 0 H TYR A 9 4.300 -4.685 1.613 1.00 0.00 H new ATOM 0 HA TYR A 9 1.816 -4.020 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.154 -5.700 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.683 -5.571 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.432 -6.031 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.372 -7.582 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.566 -8.053 2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.376 -9.613 1.280 1.00 0.00 H new ATOM 0 HH TYR A 9 1.496 -10.710 0.772 1.00 0.00 H new ATOM 148 N ASP A 10 4.394 -2.982 4.552 1.00 0.00 N ATOM 149 CA ASP A 10 4.779 -2.146 5.689 1.00 0.00 C ATOM 150 C ASP A 10 4.696 -0.653 5.339 1.00 0.00 C ATOM 151 O ASP A 10 4.590 0.172 6.249 1.00 0.00 O ATOM 152 CB ASP A 10 6.182 -2.529 6.197 1.00 0.00 C ATOM 153 CG ASP A 10 6.176 -3.706 7.185 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.666 -3.544 8.323 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.715 -4.783 6.842 1.00 0.00 O ATOM 0 H ASP A 10 5.177 -3.476 4.123 1.00 0.00 H new ATOM 0 HA ASP A 10 4.070 -2.328 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.811 -2.784 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.634 -1.662 6.679 1.00 0.00 H new ATOM 160 N VAL A 11 4.685 -0.278 4.051 1.00 0.00 N ATOM 161 CA VAL A 11 4.269 1.059 3.598 1.00 0.00 C ATOM 162 C VAL A 11 2.799 1.274 3.953 1.00 0.00 C ATOM 163 O VAL A 11 2.416 2.310 4.497 1.00 0.00 O ATOM 164 CB VAL A 11 4.489 1.230 2.068 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.945 2.557 1.516 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.964 1.141 1.662 1.00 0.00 C ATOM 0 H VAL A 11 4.966 -0.897 3.290 1.00 0.00 H new ATOM 0 HA VAL A 11 4.881 1.807 4.102 1.00 0.00 H new ATOM 0 HB VAL A 11 3.931 0.399 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.133 2.609 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.872 2.615 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.444 3.389 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.053 1.268 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.528 1.925 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.362 0.167 1.947 1.00 0.00 H new ATOM 176 N LEU A 12 1.955 0.303 3.613 1.00 0.00 N ATOM 177 CA LEU A 12 0.504 0.397 3.617 1.00 0.00 C ATOM 178 C LEU A 12 -0.118 0.236 5.002 1.00 0.00 C ATOM 179 O LEU A 12 -1.346 0.184 5.101 1.00 0.00 O ATOM 180 CB LEU A 12 -0.048 -0.639 2.621 1.00 0.00 C ATOM 181 CG LEU A 12 0.126 -0.187 1.170 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.147 -1.385 0.269 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.859 0.942 0.846 1.00 0.00 C ATOM 0 H LEU A 12 2.284 -0.615 3.313 1.00 0.00 H new ATOM 0 HA LEU A 12 0.227 1.405 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.462 -1.591 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.105 -0.809 2.824 1.00 0.00 H new ATOM 0 HG LEU A 12 1.138 0.186 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.030 -1.090 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.558 -2.183 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.164 -1.740 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.726 1.255 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.880 0.587 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.673 1.788 1.508 1.00 0.00 H new ATOM 195 N GLY A 13 0.690 0.185 6.063 1.00 0.00 N ATOM 196 CA GLY A 13 0.205 0.084 7.432 1.00 0.00 C ATOM 197 C GLY A 13 -0.496 -1.244 7.696 1.00 0.00 C ATOM 198 O GLY A 13 -1.327 -1.340 8.609 1.00 0.00 O ATOM 0 H GLY A 13 1.707 0.213 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.042 0.195 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.485 0.904 7.633 1.00 0.00 H new ATOM 202 N VAL A 14 -0.183 -2.275 6.912 1.00 0.00 N ATOM 203 CA VAL A 14 -0.667 -3.630 7.099 1.00 0.00 C ATOM 204 C VAL A 14 0.563 -4.517 7.279 1.00 0.00 C ATOM 205 O VAL A 14 1.632 -4.229 6.742 1.00 0.00 O ATOM 206 CB VAL A 14 -1.569 -4.053 5.921 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.829 -3.187 5.811 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.857 -4.013 4.561 1.00 0.00 C ATOM 0 H VAL A 14 0.434 -2.181 6.106 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.299 -3.720 7.982 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.839 -5.084 6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.430 -3.525 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.411 -3.273 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.543 -2.146 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.550 -4.322 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.512 -2.999 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.003 -4.690 4.577 1.00 0.00 H new ATOM 218 N LYS A 15 0.434 -5.599 8.043 1.00 0.00 N ATOM 219 CA LYS A 15 1.569 -6.488 8.263 1.00 0.00 C ATOM 220 C LYS A 15 2.003 -7.164 6.951 1.00 0.00 C ATOM 221 O LYS A 15 1.146 -7.389 6.094 1.00 0.00 O ATOM 222 CB LYS A 15 1.327 -7.450 9.443 1.00 0.00 C ATOM 223 CG LYS A 15 -0.109 -7.891 9.749 1.00 0.00 C ATOM 224 CD LYS A 15 -0.741 -8.791 8.695 1.00 0.00 C ATOM 225 CE LYS A 15 -2.187 -9.088 9.135 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.774 -10.294 8.512 1.00 0.00 N ATOM 0 H LYS A 15 -0.428 -5.877 8.512 1.00 0.00 H new ATOM 0 HA LYS A 15 2.426 -5.892 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.918 -8.348 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.727 -6.979 10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.117 -8.414 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.729 -7.003 9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.731 -8.303 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.175 -9.717 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.208 -9.205 10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.812 -8.228 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.621 -10.028 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.078 -10.729 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.037 -10.975 9.253 1.00 0.00 H new ATOM 240 N PRO A 16 3.277 -7.588 6.807 1.00 0.00 N ATOM 241 CA PRO A 16 3.825 -8.313 5.645 1.00 0.00 C ATOM 242 C PRO A 16 3.151 -9.643 5.262 1.00 0.00 C ATOM 243 O PRO A 16 3.631 -10.363 4.389 1.00 0.00 O ATOM 244 CB PRO A 16 5.325 -8.459 5.908 1.00 0.00 C ATOM 245 CG PRO A 16 5.470 -8.251 7.406 1.00 0.00 C ATOM 246 CD PRO A 16 4.370 -7.251 7.712 1.00 0.00 C ATOM 0 HA PRO A 16 3.610 -7.725 4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.687 -9.442 5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.900 -7.722 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.337 -9.181 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.454 -7.863 7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.054 -7.321 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.712 -6.229 7.551 1.00 0.00 H new ATOM 254 N ASN A 17 2.058 -9.984 5.927 1.00 0.00 N ATOM 255 CA ASN A 17 1.243 -11.178 5.788 1.00 0.00 C ATOM 256 C ASN A 17 -0.239 -10.787 5.868 1.00 0.00 C ATOM 257 O ASN A 17 -1.042 -11.466 6.508 1.00 0.00 O ATOM 258 CB ASN A 17 1.679 -12.243 6.818 1.00 0.00 C ATOM 259 CG ASN A 17 1.878 -11.715 8.235 1.00 0.00 C ATOM 260 OD1 ASN A 17 2.810 -10.964 8.505 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.059 -12.097 9.190 1.00 0.00 N ATOM 0 H ASN A 17 1.684 -9.369 6.649 1.00 0.00 H new ATOM 0 HA ASN A 17 1.389 -11.642 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.930 -13.034 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.611 -12.696 6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.201 -11.769 10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.281 -12.721 8.976 1.00 0.00 H new ATOM 268 N ALA A 18 -0.607 -9.645 5.274 1.00 0.00 N ATOM 269 CA ALA A 18 -1.985 -9.182 5.144 1.00 0.00 C ATOM 270 C ALA A 18 -2.667 -9.841 3.946 1.00 0.00 C ATOM 271 O ALA A 18 -2.002 -10.182 2.966 1.00 0.00 O ATOM 272 CB ALA A 18 -1.992 -7.659 4.993 1.00 0.00 C ATOM 0 H ALA A 18 0.069 -9.003 4.860 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.541 -9.460 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.019 -7.308 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.535 -7.204 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.427 -7.379 4.104 1.00 0.00 H new ATOM 278 N THR A 19 -3.980 -10.038 4.003 1.00 0.00 N ATOM 279 CA THR A 19 -4.769 -10.532 2.877 1.00 0.00 C ATOM 280 C THR A 19 -5.108 -9.398 1.900 1.00 0.00 C ATOM 281 O THR A 19 -5.107 -8.228 2.280 1.00 0.00 O ATOM 282 CB THR A 19 -6.042 -11.214 3.415 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.542 -10.587 4.565 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.759 -12.680 3.752 1.00 0.00 C ATOM 0 H THR A 19 -4.533 -9.858 4.841 1.00 0.00 H new ATOM 0 HA THR A 19 -4.184 -11.264 2.320 1.00 0.00 H new ATOM 0 HB THR A 19 -6.789 -11.136 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.349 -11.054 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.668 -13.148 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.429 -13.202 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.979 -12.735 4.511 1.00 0.00 H new ATOM 292 N GLN A 20 -5.496 -9.727 0.657 1.00 0.00 N ATOM 293 CA GLN A 20 -5.978 -8.734 -0.315 1.00 0.00 C ATOM 294 C GLN A 20 -7.159 -7.934 0.242 1.00 0.00 C ATOM 295 O GLN A 20 -7.400 -6.800 -0.178 1.00 0.00 O ATOM 296 CB GLN A 20 -6.458 -9.392 -1.621 1.00 0.00 C ATOM 297 CG GLN A 20 -5.423 -10.254 -2.356 1.00 0.00 C ATOM 298 CD GLN A 20 -4.238 -9.398 -2.766 1.00 0.00 C ATOM 299 OE1 GLN A 20 -3.262 -9.291 -2.033 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.319 -8.716 -3.890 1.00 0.00 N ATOM 0 H GLN A 20 -5.484 -10.682 0.300 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.128 -8.081 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.325 -10.013 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.796 -8.607 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.090 -11.067 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.876 -10.710 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.138 -8.816 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.562 -8.088 -4.161 1.00 0.00 H new ATOM 309 N GLU A 21 -7.933 -8.517 1.158 1.00 0.00 N ATOM 310 CA GLU A 21 -9.022 -7.806 1.786 1.00 0.00 C ATOM 311 C GLU A 21 -8.483 -6.722 2.707 1.00 0.00 C ATOM 312 O GLU A 21 -8.923 -5.576 2.598 1.00 0.00 O ATOM 313 CB GLU A 21 -9.937 -8.767 2.536 1.00 0.00 C ATOM 314 CG GLU A 21 -10.641 -9.682 1.539 1.00 0.00 C ATOM 315 CD GLU A 21 -11.891 -10.282 2.156 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.764 -10.967 3.193 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.987 -10.014 1.620 1.00 0.00 O ATOM 0 H GLU A 21 -7.818 -9.480 1.474 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.617 -7.325 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.358 -9.360 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.672 -8.208 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.905 -9.119 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.965 -10.478 1.227 1.00 0.00 H new ATOM 324 N GLU A 22 -7.531 -7.085 3.569 1.00 0.00 N ATOM 325 CA GLU A 22 -6.870 -6.204 4.520 1.00 0.00 C ATOM 326 C GLU A 22 -6.182 -5.038 3.803 1.00 0.00 C ATOM 327 O GLU A 22 -6.215 -3.926 4.330 1.00 0.00 O ATOM 328 CB GLU A 22 -5.865 -7.001 5.372 1.00 0.00 C ATOM 329 CG GLU A 22 -6.556 -7.926 6.380 1.00 0.00 C ATOM 330 CD GLU A 22 -5.545 -8.673 7.266 1.00 0.00 C ATOM 331 OE1 GLU A 22 -4.816 -9.567 6.779 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.521 -8.453 8.498 1.00 0.00 O ATOM 0 H GLU A 22 -7.188 -8.044 3.621 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.625 -5.782 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.228 -7.594 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.215 -6.307 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.226 -7.340 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.172 -8.649 5.845 1.00 0.00 H new ATOM 339 N LEU A 23 -5.626 -5.258 2.599 1.00 0.00 N ATOM 340 CA LEU A 23 -5.121 -4.204 1.720 1.00 0.00 C ATOM 341 C LEU A 23 -6.215 -3.168 1.486 1.00 0.00 C ATOM 342 O LEU A 23 -6.173 -2.070 2.032 1.00 0.00 O ATOM 343 CB LEU A 23 -4.653 -4.775 0.360 1.00 0.00 C ATOM 344 CG LEU A 23 -3.197 -5.232 0.237 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.225 -4.078 0.415 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.811 -6.350 1.182 1.00 0.00 C ATOM 0 H LEU A 23 -5.516 -6.193 2.208 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.263 -3.741 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.292 -5.624 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.830 -4.015 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.128 -5.626 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.203 -4.445 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.412 -3.324 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.362 -3.636 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.764 -6.612 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.955 -6.022 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.435 -7.222 0.988 1.00 0.00 H new ATOM 358 N LYS A 24 -7.224 -3.513 0.683 1.00 0.00 N ATOM 359 CA LYS A 24 -8.237 -2.561 0.228 1.00 0.00 C ATOM 360 C LYS A 24 -8.996 -1.944 1.408 1.00 0.00 C ATOM 361 O LYS A 24 -9.314 -0.752 1.368 1.00 0.00 O ATOM 362 CB LYS A 24 -9.143 -3.288 -0.770 1.00 0.00 C ATOM 363 CG LYS A 24 -10.179 -2.404 -1.474 1.00 0.00 C ATOM 364 CD LYS A 24 -11.008 -3.271 -2.437 1.00 0.00 C ATOM 365 CE LYS A 24 -11.838 -2.445 -3.422 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.843 -1.584 -2.769 1.00 0.00 N ATOM 0 H LYS A 24 -7.361 -4.460 0.331 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.774 -1.712 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.517 -3.760 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.667 -4.087 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.830 -1.930 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.681 -1.604 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.339 -3.926 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.673 -3.912 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.169 -1.822 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.343 -3.119 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.369 -1.053 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.504 -2.174 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.366 -0.917 -2.129 1.00 0.00 H new ATOM 380 N LYS A 25 -9.243 -2.709 2.480 1.00 0.00 N ATOM 381 CA LYS A 25 -9.822 -2.164 3.705 1.00 0.00 C ATOM 382 C LYS A 25 -8.922 -1.060 4.260 1.00 0.00 C ATOM 383 O LYS A 25 -9.419 0.041 4.515 1.00 0.00 O ATOM 384 CB LYS A 25 -10.060 -3.248 4.766 1.00 0.00 C ATOM 385 CG LYS A 25 -11.301 -4.120 4.514 1.00 0.00 C ATOM 386 CD LYS A 25 -11.720 -4.811 5.820 1.00 0.00 C ATOM 387 CE LYS A 25 -12.801 -5.866 5.566 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.421 -6.352 6.816 1.00 0.00 N ATOM 0 H LYS A 25 -9.048 -3.710 2.519 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.796 -1.745 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.182 -3.892 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.158 -2.770 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.119 -3.506 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.084 -4.866 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.851 -5.281 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.092 -4.067 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.572 -5.444 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.364 -6.708 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.145 -7.064 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.692 -6.780 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.863 -5.555 7.317 1.00 0.00 H new ATOM 402 N ALA A 26 -7.627 -1.328 4.454 1.00 0.00 N ATOM 403 CA ALA A 26 -6.703 -0.366 5.048 1.00 0.00 C ATOM 404 C ALA A 26 -6.520 0.843 4.134 1.00 0.00 C ATOM 405 O ALA A 26 -6.501 1.974 4.617 1.00 0.00 O ATOM 406 CB ALA A 26 -5.356 -1.026 5.350 1.00 0.00 C ATOM 0 H ALA A 26 -7.194 -2.217 4.203 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.131 -0.019 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.682 -0.292 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.503 -1.850 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.922 -1.407 4.425 1.00 0.00 H new ATOM 412 N TYR A 27 -6.441 0.607 2.827 1.00 0.00 N ATOM 413 CA TYR A 27 -6.200 1.604 1.803 1.00 0.00 C ATOM 414 C TYR A 27 -7.203 2.739 1.912 1.00 0.00 C ATOM 415 O TYR A 27 -6.799 3.893 2.026 1.00 0.00 O ATOM 416 CB TYR A 27 -6.253 0.933 0.430 1.00 0.00 C ATOM 417 CG TYR A 27 -6.052 1.883 -0.731 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.793 2.464 -0.922 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.100 2.164 -1.625 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.547 3.294 -2.029 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.848 2.943 -2.774 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.557 3.482 -2.996 1.00 0.00 C ATOM 423 OH TYR A 27 -5.271 4.184 -4.128 1.00 0.00 O ATOM 0 H TYR A 27 -6.549 -0.331 2.441 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.210 2.040 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.489 0.157 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.217 0.437 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.003 2.272 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.093 1.785 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.591 3.785 -2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.640 3.128 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.068 4.227 -4.697 1.00 0.00 H new ATOM 433 N ARG A 28 -8.504 2.432 1.939 1.00 0.00 N ATOM 434 CA ARG A 28 -9.550 3.437 2.093 1.00 0.00 C ATOM 435 C ARG A 28 -9.328 4.283 3.347 1.00 0.00 C ATOM 436 O ARG A 28 -9.421 5.507 3.291 1.00 0.00 O ATOM 437 CB ARG A 28 -10.914 2.720 2.087 1.00 0.00 C ATOM 438 CG ARG A 28 -11.893 3.318 1.074 1.00 0.00 C ATOM 439 CD ARG A 28 -12.729 4.458 1.662 1.00 0.00 C ATOM 440 NE ARG A 28 -14.060 4.010 2.103 1.00 0.00 N ATOM 441 CZ ARG A 28 -15.086 4.805 2.425 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.937 6.127 2.447 1.00 0.00 N ATOM 443 NH2 ARG A 28 -16.253 4.254 2.724 1.00 0.00 N ATOM 0 H ARG A 28 -8.857 1.479 1.854 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.523 4.141 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.764 1.664 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.352 2.773 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.337 3.688 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.558 2.534 0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.198 4.896 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.842 5.244 0.915 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.213 3.004 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.034 6.542 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.726 6.725 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.357 3.240 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.047 4.844 2.972 1.00 0.00 H new ATOM 457 N LYS A 29 -9.002 3.656 4.479 1.00 0.00 N ATOM 458 CA LYS A 29 -8.813 4.350 5.759 1.00 0.00 C ATOM 459 C LYS A 29 -7.655 5.330 5.652 1.00 0.00 C ATOM 460 O LYS A 29 -7.761 6.487 6.060 1.00 0.00 O ATOM 461 CB LYS A 29 -8.532 3.353 6.896 1.00 0.00 C ATOM 462 CG LYS A 29 -9.669 2.343 7.078 1.00 0.00 C ATOM 463 CD LYS A 29 -9.260 1.144 7.940 1.00 0.00 C ATOM 464 CE LYS A 29 -8.993 1.483 9.407 1.00 0.00 C ATOM 465 NZ LYS A 29 -10.219 1.815 10.158 1.00 0.00 N ATOM 0 H LYS A 29 -8.860 2.647 4.536 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.733 4.888 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.605 2.819 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.382 3.900 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.523 2.841 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.995 1.988 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.047 0.391 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.363 0.695 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.500 0.637 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.303 2.325 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.973 2.035 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.680 2.640 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.870 1.004 10.136 1.00 0.00 H new ATOM 479 N LEU A 30 -6.522 4.852 5.143 1.00 0.00 N ATOM 480 CA LEU A 30 -5.340 5.677 4.961 1.00 0.00 C ATOM 481 C LEU A 30 -5.602 6.787 3.952 1.00 0.00 C ATOM 482 O LEU A 30 -5.192 7.915 4.199 1.00 0.00 O ATOM 483 CB LEU A 30 -4.127 4.835 4.569 1.00 0.00 C ATOM 484 CG LEU A 30 -3.639 3.880 5.675 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.344 3.222 5.207 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.400 4.591 7.014 1.00 0.00 C ATOM 0 H LEU A 30 -6.402 3.883 4.847 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.109 6.147 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.375 4.251 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.310 5.501 4.293 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.420 3.139 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.983 2.541 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.530 2.665 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.593 3.989 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.058 3.868 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.643 5.364 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.330 5.047 7.355 1.00 0.00 H new ATOM 498 N ALA A 31 -6.323 6.515 2.865 1.00 0.00 N ATOM 499 CA ALA A 31 -6.701 7.530 1.898 1.00 0.00 C ATOM 500 C ALA A 31 -7.430 8.674 2.603 1.00 0.00 C ATOM 501 O ALA A 31 -7.007 9.815 2.485 1.00 0.00 O ATOM 502 CB ALA A 31 -7.495 6.909 0.746 1.00 0.00 C ATOM 0 H ALA A 31 -6.660 5.580 2.635 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.809 7.962 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.769 7.686 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.884 6.157 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.398 6.441 1.137 1.00 0.00 H new ATOM 508 N LEU A 32 -8.443 8.387 3.419 1.00 0.00 N ATOM 509 CA LEU A 32 -9.141 9.384 4.220 1.00 0.00 C ATOM 510 C LEU A 32 -8.227 10.136 5.203 1.00 0.00 C ATOM 511 O LEU A 32 -8.508 11.302 5.494 1.00 0.00 O ATOM 512 CB LEU A 32 -10.329 8.727 4.952 1.00 0.00 C ATOM 513 CG LEU A 32 -11.599 8.703 4.083 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.595 7.665 2.964 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.838 8.400 4.930 1.00 0.00 C ATOM 0 H LEU A 32 -8.805 7.441 3.542 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.511 10.143 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.063 7.708 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.531 9.270 5.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.620 9.698 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.531 7.725 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.760 7.859 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.491 6.668 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.721 8.389 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.723 7.427 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.953 9.168 5.695 1.00 0.00 H new ATOM 527 N LYS A 33 -7.156 9.526 5.727 1.00 0.00 N ATOM 528 CA LYS A 33 -6.181 10.195 6.602 1.00 0.00 C ATOM 529 C LYS A 33 -5.279 11.146 5.800 1.00 0.00 C ATOM 530 O LYS A 33 -4.896 12.195 6.328 1.00 0.00 O ATOM 531 CB LYS A 33 -5.357 9.124 7.357 1.00 0.00 C ATOM 532 CG LYS A 33 -4.176 9.648 8.197 1.00 0.00 C ATOM 533 CD LYS A 33 -4.541 10.510 9.422 1.00 0.00 C ATOM 534 CE LYS A 33 -4.902 9.670 10.661 1.00 0.00 C ATOM 535 NZ LYS A 33 -4.655 10.397 11.930 1.00 0.00 N ATOM 0 H LYS A 33 -6.939 8.544 5.554 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.711 10.807 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.030 8.574 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.971 8.411 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.594 8.793 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.527 10.234 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.702 11.162 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.383 11.154 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.952 9.383 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.319 8.749 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.913 9.790 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.648 10.648 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.230 11.263 11.951 1.00 0.00 H new ATOM 549 N TYR A 34 -4.922 10.778 4.569 1.00 0.00 N ATOM 550 CA TYR A 34 -3.897 11.427 3.754 1.00 0.00 C ATOM 551 C TYR A 34 -4.472 12.202 2.563 1.00 0.00 C ATOM 552 O TYR A 34 -3.701 12.711 1.753 1.00 0.00 O ATOM 553 CB TYR A 34 -2.868 10.377 3.294 1.00 0.00 C ATOM 554 CG TYR A 34 -2.054 9.746 4.412 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.191 10.544 5.182 1.00 0.00 C ATOM 556 CD2 TYR A 34 -2.112 8.362 4.661 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.400 9.978 6.194 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.324 7.784 5.667 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.476 8.593 6.453 1.00 0.00 C ATOM 560 OH TYR A 34 0.264 8.047 7.455 1.00 0.00 O ATOM 0 H TYR A 34 -5.357 9.987 4.094 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.405 12.174 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.392 9.587 2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.184 10.845 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.136 11.606 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.769 7.739 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.265 10.601 6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.366 6.719 5.840 1.00 0.00 H new ATOM 0 HH TYR A 34 0.093 7.083 7.500 1.00 0.00 H new ATOM 570 N HIS A 35 -5.800 12.301 2.424 1.00 0.00 N ATOM 571 CA HIS A 35 -6.393 12.917 1.245 1.00 0.00 C ATOM 572 C HIS A 35 -5.964 14.388 1.207 1.00 0.00 C ATOM 573 O HIS A 35 -6.055 15.038 2.249 1.00 0.00 O ATOM 574 CB HIS A 35 -7.929 12.809 1.345 1.00 0.00 C ATOM 575 CG HIS A 35 -8.609 12.731 0.008 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.258 13.751 -0.649 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.688 11.611 -0.774 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.683 13.262 -1.825 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.393 11.954 -1.933 1.00 0.00 N ATOM 0 H HIS A 35 -6.474 11.963 3.111 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.063 12.417 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.187 11.925 1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.312 13.672 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.280 10.639 -0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.190 13.842 -2.582 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.638 11.335 -2.706 1.00 0.00 H new ATOM 587 N PRO A 36 -5.684 14.984 0.037 1.00 0.00 N ATOM 588 CA PRO A 36 -5.014 16.285 -0.031 1.00 0.00 C ATOM 589 C PRO A 36 -5.922 17.414 0.471 1.00 0.00 C ATOM 590 O PRO A 36 -5.451 18.373 1.081 1.00 0.00 O ATOM 591 CB PRO A 36 -4.605 16.447 -1.498 1.00 0.00 C ATOM 592 CG PRO A 36 -5.592 15.553 -2.245 1.00 0.00 C ATOM 593 CD PRO A 36 -5.765 14.389 -1.284 1.00 0.00 C ATOM 0 HA PRO A 36 -4.141 16.336 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.679 17.485 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.574 16.133 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.535 16.063 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.199 15.230 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.722 13.890 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.988 13.638 -1.428 1.00 0.00 H new ATOM 601 N ASP A 37 -7.235 17.241 0.291 1.00 0.00 N ATOM 602 CA ASP A 37 -8.328 18.066 0.808 1.00 0.00 C ATOM 603 C ASP A 37 -8.204 18.329 2.312 1.00 0.00 C ATOM 604 O ASP A 37 -8.523 19.410 2.812 1.00 0.00 O ATOM 605 CB ASP A 37 -9.630 17.297 0.548 1.00 0.00 C ATOM 606 CG ASP A 37 -10.873 18.058 1.011 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.095 19.193 0.537 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.685 17.488 1.772 1.00 0.00 O ATOM 0 H ASP A 37 -7.587 16.460 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.305 19.035 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.715 17.087 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.587 16.336 1.060 1.00 0.00 H new ATOM 613 N LYS A 38 -7.746 17.322 3.053 1.00 0.00 N ATOM 614 CA LYS A 38 -7.684 17.285 4.507 1.00 0.00 C ATOM 615 C LYS A 38 -6.285 16.878 4.970 1.00 0.00 C ATOM 616 O LYS A 38 -6.146 16.418 6.106 1.00 0.00 O ATOM 617 CB LYS A 38 -8.789 16.330 5.001 1.00 0.00 C ATOM 618 CG LYS A 38 -10.189 16.951 4.914 1.00 0.00 C ATOM 619 CD LYS A 38 -10.447 17.966 6.038 1.00 0.00 C ATOM 620 CE LYS A 38 -11.833 18.582 5.849 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.095 19.683 6.800 1.00 0.00 N ATOM 0 H LYS A 38 -7.390 16.465 2.629 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.862 18.270 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.764 15.415 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.585 16.047 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.306 17.443 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.938 16.161 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.383 17.475 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.684 18.745 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.925 18.957 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.591 17.809 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.046 20.068 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.034 19.323 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.389 20.434 6.664 1.00 0.00 H new ATOM 635 N ASN A 39 -5.278 16.997 4.100 1.00 0.00 N ATOM 636 CA ASN A 39 -3.892 16.681 4.401 1.00 0.00 C ATOM 637 C ASN A 39 -2.961 17.247 3.316 1.00 0.00 C ATOM 638 O ASN A 39 -2.403 16.494 2.517 1.00 0.00 O ATOM 639 CB ASN A 39 -3.696 15.167 4.571 1.00 0.00 C ATOM 640 CG ASN A 39 -2.450 14.920 5.396 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.489 15.680 5.348 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.467 13.887 6.222 1.00 0.00 N ATOM 0 H ASN A 39 -5.415 17.325 3.144 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.631 17.153 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.565 14.728 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.603 14.688 3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.671 13.711 6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.276 13.267 6.246 1.00 0.00 H new ATOM 649 N PRO A 40 -2.777 18.576 3.252 1.00 0.00 N ATOM 650 CA PRO A 40 -1.946 19.196 2.223 1.00 0.00 C ATOM 651 C PRO A 40 -0.460 18.840 2.396 1.00 0.00 C ATOM 652 O PRO A 40 0.296 18.773 1.425 1.00 0.00 O ATOM 653 CB PRO A 40 -2.212 20.698 2.365 1.00 0.00 C ATOM 654 CG PRO A 40 -2.652 20.885 3.815 1.00 0.00 C ATOM 655 CD PRO A 40 -3.346 19.568 4.149 1.00 0.00 C ATOM 0 HA PRO A 40 -2.192 18.839 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.317 21.280 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.985 21.029 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.802 21.069 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.328 21.734 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.180 19.293 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.424 19.648 4.008 1.00 0.00 H new ATOM 663 N ASN A 41 -0.037 18.592 3.639 1.00 0.00 N ATOM 664 CA ASN A 41 1.282 18.146 4.013 1.00 0.00 C ATOM 665 C ASN A 41 1.669 16.802 3.406 1.00 0.00 C ATOM 666 O ASN A 41 2.757 16.687 2.845 1.00 0.00 O ATOM 667 CB ASN A 41 1.539 18.272 5.527 1.00 0.00 C ATOM 668 CG ASN A 41 0.337 18.321 6.460 1.00 0.00 C ATOM 669 OD1 ASN A 41 0.049 17.439 7.264 1.00 0.00 O ATOM 670 ND2 ASN A 41 -0.374 19.434 6.388 1.00 0.00 N ATOM 0 H ASN A 41 -0.650 18.708 4.446 1.00 0.00 H new ATOM 0 HA ASN A 41 1.983 18.842 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.161 17.430 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.125 19.177 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.174 19.569 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.122 20.158 5.715 1.00 0.00 H new ATOM 677 N GLU A 42 0.795 15.803 3.471 1.00 0.00 N ATOM 678 CA GLU A 42 1.150 14.420 3.157 1.00 0.00 C ATOM 679 C GLU A 42 0.669 14.002 1.760 1.00 0.00 C ATOM 680 O GLU A 42 0.735 12.820 1.430 1.00 0.00 O ATOM 681 CB GLU A 42 0.594 13.511 4.257 1.00 0.00 C ATOM 682 CG GLU A 42 1.042 13.862 5.696 1.00 0.00 C ATOM 683 CD GLU A 42 2.422 13.313 6.053 1.00 0.00 C ATOM 684 OE1 GLU A 42 3.395 13.497 5.287 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.508 12.537 7.033 1.00 0.00 O ATOM 0 H GLU A 42 -0.180 15.927 3.743 1.00 0.00 H new ATOM 0 HA GLU A 42 2.236 14.325 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.495 13.543 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.892 12.485 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.049 14.946 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.310 13.471 6.402 1.00 0.00 H new ATOM 692 N GLY A 43 0.209 14.936 0.922 1.00 0.00 N ATOM 693 CA GLY A 43 -0.305 14.627 -0.411 1.00 0.00 C ATOM 694 C GLY A 43 0.712 13.870 -1.280 1.00 0.00 C ATOM 695 O GLY A 43 0.323 12.939 -1.989 1.00 0.00 O ATOM 0 H GLY A 43 0.184 15.929 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.212 14.029 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.585 15.554 -0.911 1.00 0.00 H new ATOM 699 N GLU A 44 2.016 14.167 -1.171 1.00 0.00 N ATOM 700 CA GLU A 44 3.045 13.422 -1.915 1.00 0.00 C ATOM 701 C GLU A 44 3.119 11.969 -1.424 1.00 0.00 C ATOM 702 O GLU A 44 3.324 11.056 -2.225 1.00 0.00 O ATOM 703 CB GLU A 44 4.436 14.081 -1.786 1.00 0.00 C ATOM 704 CG GLU A 44 4.752 15.198 -2.801 1.00 0.00 C ATOM 705 CD GLU A 44 5.041 14.683 -4.224 1.00 0.00 C ATOM 706 OE1 GLU A 44 4.127 14.085 -4.848 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.178 14.874 -4.723 1.00 0.00 O ATOM 0 H GLU A 44 2.382 14.913 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 44 2.756 13.438 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.529 14.494 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.194 13.304 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.911 15.890 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.614 15.764 -2.448 1.00 0.00 H new ATOM 714 N LYS A 45 2.916 11.740 -0.120 1.00 0.00 N ATOM 715 CA LYS A 45 2.951 10.421 0.509 1.00 0.00 C ATOM 716 C LYS A 45 1.814 9.543 0.006 1.00 0.00 C ATOM 717 O LYS A 45 1.963 8.319 -0.029 1.00 0.00 O ATOM 718 CB LYS A 45 2.808 10.580 2.027 1.00 0.00 C ATOM 719 CG LYS A 45 3.294 9.346 2.797 1.00 0.00 C ATOM 720 CD LYS A 45 2.661 9.261 4.191 1.00 0.00 C ATOM 721 CE LYS A 45 2.921 10.511 5.013 1.00 0.00 C ATOM 722 NZ LYS A 45 4.339 10.818 5.267 1.00 0.00 N ATOM 0 H LYS A 45 2.718 12.491 0.542 1.00 0.00 H new ATOM 0 HA LYS A 45 3.901 9.949 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.374 11.453 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.763 10.768 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.052 8.446 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.379 9.380 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.586 9.110 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.058 8.393 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.469 11.361 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.412 10.407 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.448 11.838 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.665 10.289 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.907 10.544 4.440 1.00 0.00 H new ATOM 736 N PHE A 46 0.684 10.144 -0.386 1.00 0.00 N ATOM 737 CA PHE A 46 -0.440 9.428 -0.982 1.00 0.00 C ATOM 738 C PHE A 46 0.072 8.552 -2.123 1.00 0.00 C ATOM 739 O PHE A 46 -0.309 7.388 -2.235 1.00 0.00 O ATOM 740 CB PHE A 46 -1.505 10.412 -1.485 1.00 0.00 C ATOM 741 CG PHE A 46 -2.954 9.941 -1.463 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.319 8.580 -1.564 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.968 10.913 -1.425 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.671 8.202 -1.632 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.319 10.539 -1.523 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.673 9.185 -1.622 1.00 0.00 C ATOM 0 H PHE A 46 0.527 11.148 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.906 8.796 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.436 11.320 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.254 10.686 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.551 7.822 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.707 11.956 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.938 7.157 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.088 11.297 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.713 8.900 -1.690 1.00 0.00 H new ATOM 756 N LYS A 47 1.001 9.078 -2.920 1.00 0.00 N ATOM 757 CA LYS A 47 1.569 8.356 -4.035 1.00 0.00 C ATOM 758 C LYS A 47 2.220 7.033 -3.628 1.00 0.00 C ATOM 759 O LYS A 47 2.104 6.063 -4.373 1.00 0.00 O ATOM 760 CB LYS A 47 2.567 9.268 -4.753 1.00 0.00 C ATOM 761 CG LYS A 47 2.586 8.957 -6.247 1.00 0.00 C ATOM 762 CD LYS A 47 3.794 9.627 -6.882 1.00 0.00 C ATOM 763 CE LYS A 47 3.860 9.370 -8.382 1.00 0.00 C ATOM 764 NZ LYS A 47 5.259 9.383 -8.839 1.00 0.00 N ATOM 0 H LYS A 47 1.375 10.020 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 47 0.758 8.083 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.296 10.312 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.563 9.131 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.628 7.879 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.669 9.313 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.752 10.701 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.704 9.258 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.403 8.408 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.289 10.131 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.291 9.207 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.683 10.310 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.793 8.641 -8.343 1.00 0.00 H new ATOM 778 N GLN A 48 2.898 6.944 -2.475 1.00 0.00 N ATOM 779 CA GLN A 48 3.468 5.679 -2.012 1.00 0.00 C ATOM 780 C GLN A 48 2.377 4.670 -1.658 1.00 0.00 C ATOM 781 O GLN A 48 2.616 3.468 -1.809 1.00 0.00 O ATOM 782 CB GLN A 48 4.393 5.897 -0.802 1.00 0.00 C ATOM 783 CG GLN A 48 5.840 6.210 -1.197 1.00 0.00 C ATOM 784 CD GLN A 48 6.583 5.011 -1.784 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.142 4.177 -1.078 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.607 4.869 -3.097 1.00 0.00 N ATOM 0 H GLN A 48 3.063 7.733 -1.850 1.00 0.00 H new ATOM 0 HA GLN A 48 4.057 5.273 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.003 6.716 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.379 5.004 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.842 7.021 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.379 6.568 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.146 5.556 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.087 4.072 -3.515 1.00 0.00 H new ATOM 795 N ILE A 49 1.201 5.141 -1.228 1.00 0.00 N ATOM 796 CA ILE A 49 0.057 4.294 -0.919 1.00 0.00 C ATOM 797 C ILE A 49 -0.375 3.621 -2.228 1.00 0.00 C ATOM 798 O ILE A 49 -0.442 2.393 -2.287 1.00 0.00 O ATOM 799 CB ILE A 49 -1.107 5.082 -0.252 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.660 6.105 0.810 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.083 4.103 0.415 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.821 6.866 1.457 1.00 0.00 C ATOM 0 H ILE A 49 1.021 6.135 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 49 0.340 3.542 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.576 5.642 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.098 5.587 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.020 6.821 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.896 4.660 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.490 3.427 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.557 3.526 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.430 7.568 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.370 7.413 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.490 6.160 1.948 1.00 0.00 H new ATOM 814 N SER A 50 -0.653 4.395 -3.282 1.00 0.00 N ATOM 815 CA SER A 50 -1.055 3.852 -4.570 1.00 0.00 C ATOM 816 C SER A 50 0.042 2.936 -5.125 1.00 0.00 C ATOM 817 O SER A 50 -0.243 1.789 -5.452 1.00 0.00 O ATOM 818 CB SER A 50 -1.437 4.961 -5.556 1.00 0.00 C ATOM 819 OG SER A 50 -1.446 6.260 -4.984 1.00 0.00 O ATOM 0 H SER A 50 -0.604 5.414 -3.260 1.00 0.00 H new ATOM 0 HA SER A 50 -1.951 3.249 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.738 4.947 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.425 4.747 -5.964 1.00 0.00 H new ATOM 0 HG SER A 50 -1.696 6.917 -5.667 1.00 0.00 H new ATOM 825 N GLN A 51 1.303 3.386 -5.156 1.00 0.00 N ATOM 826 CA GLN A 51 2.449 2.651 -5.688 1.00 0.00 C ATOM 827 C GLN A 51 2.604 1.256 -5.065 1.00 0.00 C ATOM 828 O GLN A 51 3.135 0.347 -5.704 1.00 0.00 O ATOM 829 CB GLN A 51 3.696 3.519 -5.420 1.00 0.00 C ATOM 830 CG GLN A 51 5.001 3.068 -6.080 1.00 0.00 C ATOM 831 CD GLN A 51 5.015 3.330 -7.584 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.816 4.459 -8.028 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.241 2.303 -8.379 1.00 0.00 N ATOM 0 H GLN A 51 1.558 4.306 -4.797 1.00 0.00 H new ATOM 0 HA GLN A 51 2.308 2.474 -6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.481 4.535 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.856 3.561 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.838 3.589 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.148 2.003 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.403 1.377 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.254 2.434 -9.390 1.00 0.00 H new ATOM 842 N ALA A 52 2.178 1.092 -3.809 1.00 0.00 N ATOM 843 CA ALA A 52 2.174 -0.177 -3.106 1.00 0.00 C ATOM 844 C ALA A 52 0.929 -0.989 -3.453 1.00 0.00 C ATOM 845 O ALA A 52 1.033 -2.138 -3.886 1.00 0.00 O ATOM 846 CB ALA A 52 2.264 0.101 -1.601 1.00 0.00 C ATOM 0 H ALA A 52 1.819 1.863 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 52 3.033 -0.774 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.262 -0.843 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.185 0.643 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.409 0.701 -1.290 1.00 0.00 H new ATOM 852 N TYR A 53 -0.250 -0.404 -3.244 1.00 0.00 N ATOM 853 CA TYR A 53 -1.531 -1.075 -3.430 1.00 0.00 C ATOM 854 C TYR A 53 -1.733 -1.489 -4.897 1.00 0.00 C ATOM 855 O TYR A 53 -2.491 -2.418 -5.158 1.00 0.00 O ATOM 856 CB TYR A 53 -2.637 -0.152 -2.901 1.00 0.00 C ATOM 857 CG TYR A 53 -4.055 -0.603 -3.191 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.690 -1.591 -2.408 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.724 -0.037 -4.289 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.011 -1.975 -2.710 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.032 -0.425 -4.604 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.685 -1.397 -3.816 1.00 0.00 C ATOM 863 OH TYR A 53 -7.936 -1.800 -4.179 1.00 0.00 O ATOM 0 H TYR A 53 -0.341 0.564 -2.936 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.562 -2.006 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.519 -0.053 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.495 0.840 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.166 -2.050 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.225 0.704 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.512 -2.711 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.540 0.018 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.231 -1.287 -4.960 1.00 0.00 H new ATOM 873 N GLU A 54 -1.026 -0.861 -5.840 1.00 0.00 N ATOM 874 CA GLU A 54 -1.035 -1.163 -7.268 1.00 0.00 C ATOM 875 C GLU A 54 -0.554 -2.600 -7.487 1.00 0.00 C ATOM 876 O GLU A 54 -1.271 -3.430 -8.045 1.00 0.00 O ATOM 877 CB GLU A 54 -0.128 -0.138 -7.979 1.00 0.00 C ATOM 878 CG GLU A 54 0.015 -0.329 -9.497 1.00 0.00 C ATOM 879 CD GLU A 54 -1.222 0.062 -10.315 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.237 0.547 -9.755 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.161 -0.088 -11.560 1.00 0.00 O ATOM 0 H GLU A 54 -0.400 -0.088 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.040 -1.089 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.520 0.861 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.864 -0.182 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.864 0.260 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.249 -1.375 -9.697 1.00 0.00 H new ATOM 888 N VAL A 55 0.654 -2.908 -7.006 1.00 0.00 N ATOM 889 CA VAL A 55 1.282 -4.221 -7.138 1.00 0.00 C ATOM 890 C VAL A 55 0.413 -5.288 -6.460 1.00 0.00 C ATOM 891 O VAL A 55 0.352 -6.427 -6.918 1.00 0.00 O ATOM 892 CB VAL A 55 2.718 -4.167 -6.557 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.479 -5.478 -6.796 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.517 -3.022 -7.203 1.00 0.00 C ATOM 0 H VAL A 55 1.233 -2.235 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 55 1.363 -4.497 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 55 2.618 -4.003 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.481 -5.399 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.947 -6.300 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.550 -5.667 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.523 -2.998 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.576 -3.182 -8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.019 -2.073 -7.004 1.00 0.00 H new ATOM 904 N LEU A 56 -0.289 -4.895 -5.397 1.00 0.00 N ATOM 905 CA LEU A 56 -1.081 -5.760 -4.541 1.00 0.00 C ATOM 906 C LEU A 56 -2.565 -5.720 -4.905 1.00 0.00 C ATOM 907 O LEU A 56 -3.396 -6.099 -4.077 1.00 0.00 O ATOM 908 CB LEU A 56 -0.824 -5.360 -3.081 1.00 0.00 C ATOM 909 CG LEU A 56 0.658 -5.503 -2.663 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.873 -5.053 -1.219 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.156 -6.948 -2.773 1.00 0.00 C ATOM 0 H LEU A 56 -0.318 -3.919 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.778 -6.797 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.139 -4.327 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.440 -5.978 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 56 1.219 -4.870 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.925 -5.166 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.583 -4.007 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.264 -5.665 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.202 -6.997 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.559 -7.589 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.062 -7.288 -3.804 1.00 0.00 H new ATOM 923 N SER A 57 -2.927 -5.277 -6.112 1.00 0.00 N ATOM 924 CA SER A 57 -4.303 -5.301 -6.587 1.00 0.00 C ATOM 925 C SER A 57 -4.550 -6.237 -7.767 1.00 0.00 C ATOM 926 O SER A 57 -5.683 -6.712 -7.887 1.00 0.00 O ATOM 927 CB SER A 57 -4.738 -3.872 -6.887 1.00 0.00 C ATOM 928 OG SER A 57 -4.988 -3.200 -5.672 1.00 0.00 O ATOM 0 H SER A 57 -2.267 -4.891 -6.787 1.00 0.00 H new ATOM 0 HA SER A 57 -4.918 -5.722 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.962 -3.353 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.635 -3.874 -7.507 1.00 0.00 H new ATOM 0 HG SER A 57 -4.149 -2.834 -5.322 1.00 0.00 H new ATOM 934 N ASP A 58 -3.545 -6.564 -8.589 1.00 0.00 N ATOM 935 CA ASP A 58 -3.731 -7.565 -9.643 1.00 0.00 C ATOM 936 C ASP A 58 -3.188 -8.901 -9.190 1.00 0.00 C ATOM 937 O ASP A 58 -2.127 -8.939 -8.565 1.00 0.00 O ATOM 938 CB ASP A 58 -2.999 -7.222 -10.939 1.00 0.00 C ATOM 939 CG ASP A 58 -3.600 -8.065 -12.071 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.829 -7.989 -12.312 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.855 -8.894 -12.637 1.00 0.00 O ATOM 0 H ASP A 58 -2.611 -6.157 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.804 -7.591 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.100 -6.160 -11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.933 -7.427 -10.838 1.00 0.00 H new ATOM 946 N ALA A 59 -3.844 -9.999 -9.563 1.00 0.00 N ATOM 947 CA ALA A 59 -3.334 -11.310 -9.211 1.00 0.00 C ATOM 948 C ALA A 59 -2.051 -11.663 -9.966 1.00 0.00 C ATOM 949 O ALA A 59 -1.241 -12.364 -9.368 1.00 0.00 O ATOM 950 CB ALA A 59 -4.394 -12.393 -9.409 1.00 0.00 C ATOM 0 H ALA A 59 -4.712 -10.002 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.081 -11.267 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.979 -13.363 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.257 -12.177 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.704 -12.412 -10.454 1.00 0.00 H new ATOM 956 N LYS A 60 -1.787 -11.204 -11.205 1.00 0.00 N ATOM 957 CA LYS A 60 -0.534 -11.526 -11.868 1.00 0.00 C ATOM 958 C LYS A 60 0.591 -10.702 -11.256 1.00 0.00 C ATOM 959 O LYS A 60 1.678 -11.234 -11.040 1.00 0.00 O ATOM 960 CB LYS A 60 -0.613 -11.191 -13.353 1.00 0.00 C ATOM 961 CG LYS A 60 -1.232 -12.245 -14.277 1.00 0.00 C ATOM 962 CD LYS A 60 -0.677 -12.030 -15.696 1.00 0.00 C ATOM 963 CE LYS A 60 -1.479 -12.716 -16.799 1.00 0.00 C ATOM 964 NZ LYS A 60 -2.692 -11.957 -17.163 1.00 0.00 N ATOM 0 H LYS A 60 -2.421 -10.619 -11.750 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.344 -12.592 -11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.185 -10.269 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.397 -10.983 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.992 -13.248 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.319 -12.159 -14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.642 -10.960 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.350 -12.394 -15.730 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.850 -12.837 -17.681 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.763 -13.716 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.204 -12.461 -17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.306 -11.863 -16.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.421 -11.012 -17.502 1.00 0.00 H new ATOM 978 N LYS A 61 0.365 -9.401 -11.001 1.00 0.00 N ATOM 979 CA LYS A 61 1.385 -8.605 -10.314 1.00 0.00 C ATOM 980 C LYS A 61 1.667 -9.240 -8.964 1.00 0.00 C ATOM 981 O LYS A 61 2.841 -9.441 -8.648 1.00 0.00 O ATOM 982 CB LYS A 61 1.011 -7.127 -10.113 1.00 0.00 C ATOM 983 CG LYS A 61 0.975 -6.335 -11.426 1.00 0.00 C ATOM 984 CD LYS A 61 1.264 -4.836 -11.248 1.00 0.00 C ATOM 985 CE LYS A 61 2.731 -4.528 -10.902 1.00 0.00 C ATOM 986 NZ LYS A 61 3.668 -4.795 -12.017 1.00 0.00 N ATOM 0 H LYS A 61 -0.485 -8.897 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 61 2.265 -8.604 -10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.035 -7.067 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.729 -6.665 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.705 -6.758 -12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.006 -6.455 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.998 -4.312 -12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.623 -4.442 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.815 -3.481 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.026 -5.125 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.633 -4.535 -11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.640 -5.806 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.390 -4.232 -12.846 1.00 0.00 H new ATOM 1000 N ARG A 62 0.618 -9.576 -8.201 1.00 0.00 N ATOM 1001 CA ARG A 62 0.854 -10.249 -6.927 1.00 0.00 C ATOM 1002 C ARG A 62 1.580 -11.592 -7.098 1.00 0.00 C ATOM 1003 O ARG A 62 2.476 -11.862 -6.304 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.394 -10.347 -6.038 1.00 0.00 C ATOM 1005 CG ARG A 62 0.045 -11.024 -4.723 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.825 -10.769 -3.499 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.666 -11.888 -2.558 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.335 -13.046 -2.604 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.339 -13.209 -3.459 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.009 -14.044 -1.797 1.00 0.00 N ATOM 0 H ARG A 62 -0.360 -9.401 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 62 1.536 -9.601 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.808 -9.358 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.174 -10.928 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.088 -12.100 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.059 -10.697 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.538 -9.832 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.870 -10.670 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 62 0.013 -11.771 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.604 -12.449 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.845 -14.094 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.242 -13.934 -1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.525 -14.923 -1.839 1.00 0.00 H new ATOM 1024 N GLU A 63 1.247 -12.416 -8.098 1.00 0.00 N ATOM 1025 CA GLU A 63 1.884 -13.722 -8.304 1.00 0.00 C ATOM 1026 C GLU A 63 3.399 -13.549 -8.348 1.00 0.00 C ATOM 1027 O GLU A 63 4.128 -14.292 -7.694 1.00 0.00 O ATOM 1028 CB GLU A 63 1.418 -14.401 -9.609 1.00 0.00 C ATOM 1029 CG GLU A 63 0.158 -15.272 -9.493 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.408 -15.724 -10.846 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.325 -15.803 -11.861 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.618 -16.057 -10.883 1.00 0.00 O ATOM 0 H GLU A 63 0.528 -12.196 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 63 1.592 -14.361 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.235 -13.627 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.232 -15.020 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.390 -16.153 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.610 -14.715 -8.956 1.00 0.00 H new ATOM 1039 N LEU A 64 3.876 -12.557 -9.108 1.00 0.00 N ATOM 1040 CA LEU A 64 5.305 -12.321 -9.224 1.00 0.00 C ATOM 1041 C LEU A 64 5.859 -11.656 -7.979 1.00 0.00 C ATOM 1042 O LEU A 64 6.949 -12.018 -7.553 1.00 0.00 O ATOM 1043 CB LEU A 64 5.650 -11.489 -10.469 1.00 0.00 C ATOM 1044 CG LEU A 64 5.921 -12.351 -11.714 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.085 -13.330 -11.495 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.666 -13.104 -12.151 1.00 0.00 C ATOM 0 H LEU A 64 3.293 -11.914 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 64 5.775 -13.298 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.829 -10.804 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.528 -10.878 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 64 6.209 -11.668 -12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.241 -13.918 -12.399 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.992 -12.771 -11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.849 -13.996 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.890 -13.704 -13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.333 -13.756 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.878 -12.390 -12.389 1.00 0.00 H new ATOM 1058 N TYR A 65 5.154 -10.686 -7.401 1.00 0.00 N ATOM 1059 CA TYR A 65 5.518 -10.029 -6.149 1.00 0.00 C ATOM 1060 C TYR A 65 5.875 -11.039 -5.066 1.00 0.00 C ATOM 1061 O TYR A 65 6.918 -10.906 -4.423 1.00 0.00 O ATOM 1062 CB TYR A 65 4.384 -9.102 -5.719 1.00 0.00 C ATOM 1063 CG TYR A 65 4.511 -8.609 -4.302 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.427 -7.591 -3.999 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.768 -9.228 -3.278 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.601 -7.192 -2.668 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.927 -8.823 -1.945 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.856 -7.803 -1.634 1.00 0.00 C ATOM 1069 OH TYR A 65 5.040 -7.415 -0.347 1.00 0.00 O ATOM 0 H TYR A 65 4.289 -10.325 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 65 6.415 -9.430 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.352 -8.245 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.435 -9.628 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.994 -7.118 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.073 -10.018 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.309 -6.412 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.345 -9.286 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 65 4.304 -7.753 0.205 1.00 0.00 H new ATOM 1079 N ASP A 66 5.043 -12.066 -4.911 1.00 0.00 N ATOM 1080 CA ASP A 66 5.135 -13.038 -3.833 1.00 0.00 C ATOM 1081 C ASP A 66 6.477 -13.773 -3.801 1.00 0.00 C ATOM 1082 O ASP A 66 6.937 -14.191 -2.738 1.00 0.00 O ATOM 1083 CB ASP A 66 4.000 -14.046 -4.000 1.00 0.00 C ATOM 1084 CG ASP A 66 3.729 -14.753 -2.681 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.046 -14.137 -1.833 1.00 0.00 O ATOM 1086 OD2 ASP A 66 4.171 -15.918 -2.532 1.00 0.00 O ATOM 0 H ASP A 66 4.268 -12.247 -5.549 1.00 0.00 H new ATOM 0 HA ASP A 66 5.055 -12.500 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.098 -13.537 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.262 -14.776 -4.766 1.00 0.00 H new ATOM 1091 N LYS A 67 7.125 -13.901 -4.962 1.00 0.00 N ATOM 1092 CA LYS A 67 8.334 -14.710 -5.158 1.00 0.00 C ATOM 1093 C LYS A 67 9.441 -14.001 -5.951 1.00 0.00 C ATOM 1094 O LYS A 67 10.445 -14.641 -6.271 1.00 0.00 O ATOM 1095 CB LYS A 67 7.932 -16.053 -5.798 1.00 0.00 C ATOM 1096 CG LYS A 67 6.951 -15.875 -6.973 1.00 0.00 C ATOM 1097 CD LYS A 67 7.055 -16.974 -8.027 1.00 0.00 C ATOM 1098 CE LYS A 67 8.311 -16.745 -8.874 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.267 -17.513 -10.128 1.00 0.00 N ATOM 0 H LYS A 67 6.816 -13.433 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 67 8.780 -14.884 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.827 -16.566 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.476 -16.691 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.933 -15.850 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.135 -14.911 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.099 -17.951 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.169 -16.970 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.409 -15.683 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.193 -17.032 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.133 -17.334 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.198 -18.528 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.439 -17.221 -10.685 1.00 0.00 H new ATOM 1113 N GLY A 68 9.299 -12.717 -6.282 1.00 0.00 N ATOM 1114 CA GLY A 68 10.206 -12.020 -7.187 1.00 0.00 C ATOM 1115 C GLY A 68 10.048 -10.502 -7.120 1.00 0.00 C ATOM 1116 O GLY A 68 10.973 -9.804 -6.707 1.00 0.00 O ATOM 0 H GLY A 68 8.545 -12.130 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.234 -12.286 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.025 -12.356 -8.208 1.00 0.00 H new ATOM 1120 N GLY A 69 8.902 -9.974 -7.552 1.00 0.00 N ATOM 1121 CA GLY A 69 8.509 -8.569 -7.443 1.00 0.00 C ATOM 1122 C GLY A 69 9.151 -7.637 -8.456 1.00 0.00 C ATOM 1123 O GLY A 69 8.472 -6.752 -8.968 1.00 0.00 O ATOM 0 H GLY A 69 8.189 -10.542 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.426 -8.502 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.755 -8.216 -6.442 1.00 0.00 H new ATOM 1127 N GLU A 70 10.420 -7.831 -8.778 1.00 0.00 N ATOM 1128 CA GLU A 70 11.152 -7.033 -9.756 1.00 0.00 C ATOM 1129 C GLU A 70 10.923 -7.613 -11.160 1.00 0.00 C ATOM 1130 O GLU A 70 11.830 -8.077 -11.863 1.00 0.00 O ATOM 1131 CB GLU A 70 12.612 -6.953 -9.293 1.00 0.00 C ATOM 1132 CG GLU A 70 13.051 -5.519 -8.960 1.00 0.00 C ATOM 1133 CD GLU A 70 12.135 -4.791 -7.965 1.00 0.00 C ATOM 1134 OE1 GLU A 70 12.168 -5.094 -6.752 1.00 0.00 O ATOM 1135 OE2 GLU A 70 11.387 -3.886 -8.402 1.00 0.00 O ATOM 0 H GLU A 70 10.987 -8.567 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 70 10.797 -6.005 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.745 -7.583 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.259 -7.355 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.061 -5.547 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.096 -4.942 -9.884 1.00 0.00 H new ATOM 1142 N GLN A 71 9.646 -7.675 -11.511 1.00 0.00 N ATOM 1143 CA GLN A 71 9.055 -7.980 -12.801 1.00 0.00 C ATOM 1144 C GLN A 71 7.563 -7.758 -12.668 1.00 0.00 C ATOM 1145 O GLN A 71 6.961 -7.151 -13.582 1.00 0.00 O ATOM 1146 CB GLN A 71 9.394 -9.399 -13.290 1.00 0.00 C ATOM 1147 CG GLN A 71 9.333 -10.531 -12.251 1.00 0.00 C ATOM 1148 CD GLN A 71 10.019 -11.783 -12.793 1.00 0.00 C ATOM 1149 OE1 GLN A 71 9.777 -12.204 -13.923 1.00 0.00 O ATOM 1150 NE2 GLN A 71 10.944 -12.372 -12.051 1.00 0.00 N ATOM 0 H GLN A 71 8.920 -7.492 -10.818 1.00 0.00 H new ATOM 0 HA GLN A 71 9.470 -7.324 -13.566 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.712 -9.649 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.399 -9.380 -13.712 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.817 -10.213 -11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.295 -10.754 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.145 -12.023 -11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.456 -13.175 -12.417 1.00 0.00 H new TER 1159 GLN A 71